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10 [AGLYSL01,10,10,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 5 1 6 1 8 1 0 0 0 0 -1.623400 1.696500 8.843100 1XA 0 0.33100 0.33100 AGLY C1 1
2 1 1 9 1 10 2 0 0 0 0 0 0 -1.543800 0.171000 8.896000 1XA 0 0.65900 0.65900 AGLY C2 2
43 8 1 0 0 0 0 0 0 0 0 0 0 -1.582700 1.764000 6.809400 1XA 0 0.36000 0.36000 AGLY H1 3
43 8 1 0 0 0 0 0 0 0 0 0 0 -0.127100 1.863000 7.473600 1XA 0 0.36000 0.36000 AGLY H3 4
41 1 1 0 0 0 0 0 0 0 0 0 0 -2.670700 1.998700 8.934300 1XA 0 0.00000 0.00000 AGLY H5 5
41 1 1 0 0 0 0 0 0 0 0 0 0 -1.046200 2.109200 9.675600 1XA 0 0.00000 0.00000 AGLY H6 6
42 9 1 0 0 0 0 0 0 0 0 0 0 -2.365500 0.328900 10.673200 1XA 0 0.50000 0.50000 AGLY H7 7
26 1 1 3 1 4 1 0 0 0 0 0 0 -1.081800 2.218200 7.578400 1XA 0 -0.99000 -0.99000 AGLY N1 8
16 2 1 7 1 0 0 0 0 0 0 0 0 -2.034400 -0.343700 10.047800 1XA 0 -0.65000 -0.65000 AGLY O5 9
15 2 2 0 0 0 0 0 0 0 0 0 0 -1.089300 -0.532600 8.004800 1XA 0 -0.57000 -0.57000 AGLY O6 10
15 [AMHTAR01,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 7 1 15 1 0 0 0 0 0 0 0 0 6.032900 4.150500 3.052100 1XA 0 -0.65000 -0.65000 CHGB O1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 6.066300 6.345400 3.343400 1XA 0 -0.57000 -0.57000 CHGB O2 2
16 8 1 13 1 0 0 0 0 0 0 0 0 3.362800 6.580900 2.485800 1XA 0 -0.68000 -0.68000 CHGB O3 3
16 9 1 14 1 0 0 0 0 0 0 0 0 3.091700 4.769000 4.831000 1XA 0 -0.68000 -0.68000 CHGB O4 4
15 10 2 0 0 0 0 0 0 0 0 0 0 1.477900 4.596700 1.756100 1XA 0 -0.90000 -0.90000 CHGB O5 5
18 10 1 0 0 0 0 0 0 0 0 0 0 0.923200 3.651400 3.769600 1XA 0 -0.90000 -0.90000 CHGB O6 6
2 1 1 2 2 8 1 0 0 0 0 0 0 5.411400 5.355700 3.046700 1XA 0 0.65900 0.65900 CHGB C1 7
3 3 1 7 1 9 1 11 1 0 0 0 0 3.963700 5.282700 2.565900 1XA 0 0.34100 0.34100 CHGB C2 8
3 4 1 8 1 10 1 12 1 0 0 0 0 3.157400 4.330100 3.449400 1XA 0 0.17400 0.17400 CHGB C3 9
2 5 2 6 1 9 1 0 0 0 0 0 0 1.712400 4.162600 2.917600 1XA 0 0.90600 0.90600 CHGB C4 10
41 8 1 0 0 0 0 0 0 0 0 0 0 4.014100 4.906100 1.536200 1XA 0 0.00000 0.00000 CHGB H1 11
41 9 1 0 0 0 0 0 0 0 0 0 0 3.614600 3.334000 3.462000 1XA 0 0.00000 0.00000 CHGB H2 12
42 3 1 0 0 0 0 0 0 0 0 0 0 2.471500 6.396700 2.113000 1XA 0 0.40000 0.40000 CHGB H3 13
42 4 1 0 0 0 0 0 0 0 0 0 0 2.196200 4.458100 5.104700 1XA 0 0.40000 0.40000 CHGB H4 14
42 1 1 0 0 0 0 0 0 0 0 0 0 6.914400 4.382500 3.406800 1XA 0 0.50000 0.50000 CHGB H5 15
25 [AMPTRB10,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 1 1 4 2 3 1 0 0 0 0 0 0 -7.347300 -2.948100 16.474400 1XA 0 0.77100 0.77100 AMPT C2 2
25 2 1 17 1 16 1 0 0 0 0 0 0 -7.028000 -2.031400 17.449699 1XA 0 -0.90000 -0.90000 AMPT N2 3
25 2 2 5 1 0 0 0 0 0 0 0 0 -6.803000 -4.163500 16.553301 1XA 0 -0.62000 -0.62000 AMPT N3 4
2 4 1 7 2 6 1 0 0 0 0 0 0 -7.151000 -5.041400 15.593200 1XA 0 0.41000 0.41000 AMPT C4 5
25 5 1 19 1 18 1 0 0 0 0 0 0 -6.486100 -6.264900 15.629800 1XA 0 -0.90000 -0.90000 AMPT N4 6
2 5 2 14 1 8 1 0 0 0 0 0 0 -8.037300 -4.745900 14.549600 1XA 0 0.31000 0.31000 AMPT C41 7
25 7 1 9 2 0 0 0 0 0 0 0 0 -8.398800 -5.636400 13.589000 1XA 0 -0.62000 -0.62000 AMPT N5 8
2 8 2 11 1 10 1 0 0 0 0 0 0 -9.272300 -5.228700 12.632300 1XA 0 0.16650 0.16650 AMPT C6 9
3 9 1 22 1 21 1 20 1 0 0 0 0 -9.640700 -6.235100 11.582800 1XA 0 0.14350 0.14350 AMPT C61 10
2 9 1 13 2 12 1 0 0 0 0 0 0 -9.791400 -3.934700 12.641400 1XA 0 0.16650 0.16650 AMPT C7 11
3 11 1 25 1 24 1 23 1 0 0 0 0 -10.759200 -3.460500 11.596800 1XA 0 0.14350 0.14350 AMPT C71 12
25 11 2 14 1 0 0 0 0 0 0 0 0 -9.441700 -3.037200 13.605300 1XA 0 -0.62000 -0.62000 AMPT N8 13
2 1 2 7 1 13 1 0 0 0 0 0 0 -8.563000 -3.445800 14.557200 1XA 0 0.67100 0.67100 AMPT C81 14
43 1 1 0 0 0 0 0 0 0 0 0 0 -8.612500 -1.681800 15.517000 1XA 0 0.45700 0.45700 AMPT H1 15
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.878800 -1.065300 17.187901 1XA 0 0.40000 0.40000 AMPT H21 16
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.292400 -2.398700 18.054199 1XA 0 0.40000 0.40000 AMPT H22 17
43 6 1 0 0 0 0 0 0 0 0 0 0 -5.952800 -6.403600 16.482401 1XA 0 0.40000 0.40000 AMPT H41 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -7.059300 -7.061200 15.359900 1XA 0 0.40000 0.40000 AMPT H42 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.717200 -6.430300 11.601800 1XA 0 0.00000 0.00000 AMPT H61 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.124100 -7.184500 11.758700 1XA 0 0.00000 0.00000 AMPT H62 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.352600 -5.875200 10.590500 1XA 0 0.00000 0.00000 AMPT H63 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.046100 -2.419800 11.780100 1XA 0 0.00000 0.00000 AMPT H71 23
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41 12 1 0 0 0 0 0 0 0 0 0 0 -10.304800 -3.513300 10.602800 1XA 0 0.00000 0.00000 AMPT H73 25
26 [ARGIND11,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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3 1 1 21 1 8 1 3 1 0 0 0 0 -7.870500 -3.861900 16.124701 1XA 0 0.16400 0.16400 ARGI C2 2
3 2 1 11 1 10 1 4 1 0 0 0 0 -7.358600 -3.441000 14.736100 1XA 0 0.00000 0.00000 ARGI C3 3
3 3 1 13 1 12 1 5 1 0 0 0 0 -7.572900 -4.415700 13.557900 1XA 0 0.00000 0.00000 ARGI C4 4
3 4 1 23 1 15 1 14 1 0 0 0 0 -8.886000 -4.225100 12.789000 1XA 0 0.32760 0.32760 ARGI C5 5
2 24 1 23 2 22 1 0 0 0 0 0 0 -11.250100 -4.162300 13.598800 1XA 0 1.20000 1.20000 ARGI C6 6
43 21 1 0 0 0 0 0 0 0 0 0 0 -7.964700 -5.879400 16.166599 1XA 0 0.36000 0.36000 ARGI H1 7
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.545600 -3.115900 16.859800 1XA 0 0.00000 0.00000 ARGI H3 8
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41 5 1 0 0 0 0 0 0 0 0 0 0 -8.845400 -4.798000 11.857100 1XA 0 0.00000 0.00000 ARGI H13 15
44 23 1 0 0 0 0 0 0 0 0 0 0 -9.856600 -5.305300 14.371900 1XA 0 0.45000 0.45000 ARGI H14 16
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43 22 1 0 0 0 0 0 0 0 0 0 0 -12.578900 -2.860400 12.763300 1XA 0 0.45000 0.45000 ARGI H16 18
43 24 1 0 0 0 0 0 0 0 0 0 0 -11.579300 -4.898900 15.416700 1XA 0 0.45000 0.45000 ARGI H17 19
43 24 1 0 0 0 0 0 0 0 0 0 0 -12.922200 -4.005500 14.789100 1XA 0 0.45000 0.45000 ARGI H18 20
26 2 1 7 1 9 1 0 0 0 0 0 0 -7.304600 -5.180000 16.532600 1XA 0 -0.99000 -0.99000 ARGI N1 21
25 6 1 17 1 18 1 0 0 0 0 0 0 -11.682300 -3.308700 12.664400 1XA 0 -0.96670 -0.96670 ARGI N2 22
31 5 1 6 2 16 1 0 0 0 0 0 0 -10.032400 -4.711200 13.546000 1XA 0 -0.84430 -0.84430 ARGI N3 23
25 6 1 19 1 20 1 0 0 0 0 0 0 -12.065800 -4.493300 14.597800 1XA 0 -0.96670 -0.96670 ARGI N4 24
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.939200 -5.080400 16.032000 1XA 0 -0.90000 -0.90000 ARGI O1 25
18 1 1 0 0 0 0 0 0 0 0 0 0 -10.047500 -2.820800 16.112700 1XA 0 -0.90000 -0.90000 ARGI O3 26
6 [BAOXLM01,6,6,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 3 2 0 0 0 0 0 0 0 0 0 0 -8.447500 -5.593100 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 -9.354100 -5.593100 15.409600 1XA 0 -0.90000 -0.90000 CHGB O2 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -8.900800 -5.013400 14.358600 1XA 0 0.80000 0.80000 CHGB C1 3
2 3 1 5 2 6 1 0 0 0 0 0 0 -8.900800 -3.454000 14.358600 1XA 0 0.80000 0.80000 CHGB C1F 4
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.447500 -2.874300 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1F 5
18 4 1 0 0 0 0 0 0 0 0 0 0 -9.354100 -2.874300 15.409600 1XA 0 -0.90000 -0.90000 CHGB O2F 6
24 [BBSPRT10,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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15 8 2 0 0 0 0 0 0 0 0 0 0 -9.129500 -4.150900 12.437900 1XA 0 -0.57000 -0.57000 BBSP O1 4
15 3 2 0 0 0 0 0 0 0 0 0 0 -7.895800 -2.561900 17.099501 1XA 0 -0.65000 -0.65000 BBSP O2 5
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25 3 1 17 1 9 1 0 0 0 0 0 0 -7.230400 -2.717100 14.676200 1XA 0 -0.86500 -0.86500 BBSP N1 7
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43 7 1 0 0 0 0 0 0 0 0 0 0 -6.425100 -3.046400 14.140700 1XA 0 0.42000 0.42000 BBSP H1 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.200800 -1.890400 14.611900 1XA 0 0.00000 0.00000 BBSP H2 18
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41 10 1 0 0 0 0 0 0 0 0 0 0 -8.323000 0.010600 13.347400 1XA 0 0.00000 0.00000 BBSP H32 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.139100 -6.095800 14.882100 1XA 0 0.15000 0.15000 BBSP H5 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.822100 -7.852100 14.453600 1XA 0 0.15000 0.15000 BBSP H6 22
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.843300 -5.441000 16.368299 1XA 0 0.15000 0.15000 BBSP H8 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.169800 -3.676000 16.801100 1XA 0 0.15000 0.15000 BBSP H9 24
24 [BEVJER10,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 1 1 8 2 14 1 0 0 0 0 0 0 -8.287000 -4.816800 13.934300 1XA 0 -0.03100 -0.03100 CHGB C2 2
2 1 2 4 1 6 1 0 0 0 0 0 0 -8.400600 -2.521300 12.680000 1XA 0 0.16100 0.16100 CHGB C3 3
1 3 1 5 3 0 0 0 0 0 0 0 0 -7.842000 -2.893800 11.418400 1XA 0 0.49210 0.49210 CHGB C4 4
24 4 3 0 0 0 0 0 0 0 0 0 0 -7.441000 -3.248700 10.390700 1XA 0 -0.55710 -0.55710 CHGB N5 5
1 3 1 7 3 0 0 0 0 0 0 0 0 -8.941900 -1.199000 12.707800 1XA 0 0.49210 0.49210 CHGB C6 6
24 6 3 0 0 0 0 0 0 0 0 0 0 -9.447600 -0.156800 12.743000 1XA 0 -0.55710 -0.55710 CHGB N7 7
2 2 2 9 1 11 1 0 0 0 0 0 0 -7.306100 -5.697300 13.613700 1XA 0 0.16100 0.16100 CHGB C8 8
1 8 1 10 3 0 0 0 0 0 0 0 0 -6.148300 -5.324800 12.863200 1XA 0 0.49210 0.49210 CHGB C9 9
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.196600 -4.969900 12.305300 1XA 0 -0.55710 -0.55710 CHGB N10 10
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2 13 2 17 1 18 1 0 0 0 0 0 0 -9.367300 -2.521300 16.030001 1XA 0 0.16100 0.16100 CHGB C3B 15
2 14 2 19 1 20 1 0 0 0 0 0 0 -10.461800 -5.697300 15.096300 1XA 0 0.16100 0.16100 CHGB C8B 16
1 15 1 21 3 0 0 0 0 0 0 0 0 -9.925900 -2.893800 17.291599 1XA 0 0.49210 0.49210 CHGB C4B 17
1 15 1 22 3 0 0 0 0 0 0 0 0 -8.826000 -1.199000 16.002199 1XA 0 0.49210 0.49210 CHGB C6B 18
1 16 1 23 3 0 0 0 0 0 0 0 0 -11.619600 -5.324800 15.846800 1XA 0 0.49210 0.49210 CHGB C9B 19
1 16 1 24 3 0 0 0 0 0 0 0 0 -10.519700 -7.019600 14.557400 1XA 0 0.49210 0.49210 CHGB C11B 20
24 17 3 0 0 0 0 0 0 0 0 0 0 -10.326900 -3.248700 18.319300 1XA 0 -0.55710 -0.55710 CHGB N5B 21
24 18 3 0 0 0 0 0 0 0 0 0 0 -8.320300 -0.156800 15.967000 1XA 0 -0.55710 -0.55710 CHGB N7B 22
24 19 3 0 0 0 0 0 0 0 0 0 0 -12.571300 -4.969900 16.404699 1XA 0 -0.55710 -0.55710 CHGB N10B 23
24 20 3 0 0 0 0 0 0 0 0 0 0 -10.564700 -8.061800 14.052500 1XA 0 -0.55710 -0.55710 CHGB N12B 24
59 [BEWCUB,59,59,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 5 1 7 1 0 0 0 0 0 0 -9.460100 -4.542500 14.521300 1XA 0 -0.39400 -0.39400 BEWC N1 1
2 1 1 3 2 24 1 0 0 0 0 0 0 -8.147300 -4.446700 14.082800 1XA 0 0.12340 0.12340 BEWC C2 2
2 2 2 4 1 9 1 0 0 0 0 0 0 -7.961800 -5.083000 12.915900 1XA 0 -0.08220 -0.08220 BEWC C3 3
3 3 1 5 1 37 1 38 1 0 0 0 0 -9.245500 -5.672200 12.410700 1XA 0 0.13820 0.13820 BEWC C4 4
3 1 1 4 1 6 1 39 1 0 0 0 0 -10.204000 -5.403700 13.571000 1XA 0 0.36300 0.36300 BEWC C5 5
2 5 1 7 1 8 2 0 0 0 0 0 0 -11.203300 -4.268800 13.489800 1XA 0 -0.24000 -0.24000 BEWC C6 6
2 1 1 6 1 23 2 0 0 0 0 0 0 -10.312900 -3.483900 14.348600 1XA 0 0.70100 0.70100 BEWC C7 7
2 6 2 17 1 18 1 0 0 0 0 0 0 -12.386000 -4.045000 12.886900 1XA 0 -0.24540 -0.24540 BEWC C8 8
49 3 1 10 1 16 2 0 0 0 0 0 0 -6.438700 -5.171500 12.025900 1XA 0 0.38800 0.38800 BEWC S9 9
2 9 1 11 2 40 1 0 0 0 0 0 0 -5.554400 -6.343100 13.055800 1XA 0 -0.09400 -0.09400 BEWC C10 10
2 10 2 12 1 41 1 0 0 0 0 0 0 -5.914700 -7.633000 13.050600 1XA 0 -0.04100 -0.04100 BEWC C11 11
25 11 1 13 1 42 1 0 0 0 0 0 0 -5.288000 -8.577800 13.827600 1XA 0 -0.53900 -0.53900 BEWC N12 12
2 12 1 14 2 15 1 0 0 0 0 0 0 -5.698800 -9.898100 13.883700 1XA 0 0.56900 0.56900 BEWC C13 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -6.687500 -10.345100 13.309300 1XA 0 -0.57000 -0.57000 BEWC O14 14
3 13 1 43 1 44 1 45 1 0 0 0 0 -4.836500 -10.760900 14.767000 1XA 0 0.06100 0.06100 BEWC C15 15
15 9 2 0 0 0 0 0 0 0 0 0 0 -6.778600 -5.909300 10.764400 1XA 0 -0.50000 -0.50000 BEWC O16 16
3 8 1 46 1 47 1 48 1 0 0 0 0 -13.135000 -2.742100 13.026900 1XA 0 0.13820 0.13820 BEWC C17 17
3 8 1 19 1 49 1 50 1 0 0 0 0 -13.109100 -5.048000 12.007200 1XA 0 0.41820 0.41820 BEWC C18 18
16 18 1 20 1 0 0 0 0 0 0 0 0 -12.338100 -6.244100 11.853200 1XA 0 -0.43000 -0.43000 BEWC O19 19
2 19 1 21 2 22 1 0 0 0 0 0 0 -12.933500 -7.178200 11.061900 1XA 0 0.65900 0.65900 BEWC C20 20
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15 7 2 0 0 0 0 0 0 0 0 0 0 -10.270000 -2.323100 14.695300 1XA 0 -0.57000 -0.57000 BEWC O23 23
2 2 1 25 2 26 1 0 0 0 0 0 0 -7.126600 -3.690400 14.864200 1XA 0 0.70560 0.70560 BEWC C24 24
15 24 2 0 0 0 0 0 0 0 0 0 0 -5.963900 -3.541200 14.518200 1XA 0 -0.57000 -0.57000 BEWC O25 25
16 24 1 27 1 0 0 0 0 0 0 0 0 -7.669900 -3.232600 16.018499 1XA 0 -0.43000 -0.43000 BEWC O26 26
3 26 1 28 1 54 1 55 1 0 0 0 0 -6.810200 -2.424300 16.830099 1XA 0 0.42350 0.42350 BEWC C27 27
2 27 1 29 2 33 1 0 0 0 0 0 0 -6.819300 -0.989600 16.359699 1XA 0 -0.14350 -0.14350 BEWC C28 28
2 28 2 30 1 58 1 0 0 0 0 0 0 -5.622800 -0.347800 16.007401 1XA 0 -0.15000 -0.15000 BEWC C29 29
2 29 1 31 2 59 1 0 0 0 0 0 0 -5.630800 0.979500 15.570600 1XA 0 -0.15000 -0.15000 BEWC C30 30
2 30 2 32 1 34 1 0 0 0 0 0 0 -6.845600 1.671400 15.484400 1XA 0 0.13300 0.13300 BEWC C31 31
2 31 1 33 2 56 1 0 0 0 0 0 0 -8.047500 1.044100 15.831200 1XA 0 -0.15000 -0.15000 BEWC C32 32
2 28 1 32 2 57 1 0 0 0 0 0 0 -8.028300 -0.282300 16.268499 1XA 0 -0.15000 -0.15000 BEWC C33 33
31 31 1 35 1 36 2 0 0 0 0 0 0 -6.857900 3.065100 15.024200 1XA 0 0.90700 0.90700 BEWC N34 34
18 34 1 0 0 0 0 0 0 0 0 0 0 -5.774600 3.576400 14.704500 1XA 0 -0.52000 -0.52000 BEWC O35 35
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15 16 2 0 0 0 0 0 0 0 0 0 0 -11.744300 -2.887300 12.523600 1XA 0 -0.57000 -0.57000 UNCH O2 3
16 16 1 17 1 0 0 0 0 0 0 0 0 -10.164900 -2.354500 14.114800 1XA 0 -0.43000 -0.43000 UNCH O3 4
25 6 1 9 1 21 1 0 0 0 0 0 0 -9.957400 -5.118900 14.602200 1XA 0 -0.57900 -0.57900 UNCH N1 5
3 5 1 7 1 8 1 16 1 0 0 0 0 -11.222900 -4.467400 14.267200 1XA 0 0.14900 0.14900 UNCH C1 6
3 1 1 6 1 8 1 20 1 0 0 0 0 -12.349600 -4.592300 15.281900 1XA 0 0.12730 0.12730 UNCH C2 7
3 6 1 7 1 18 1 19 1 0 0 0 0 -12.447900 -5.331300 13.991300 1XA 0 -0.20000 -0.20000 UNCH C3 8
2 2 2 5 1 10 1 0 0 0 0 0 0 -9.278400 -5.867800 13.659400 1XA 0 0.54380 0.54380 UNCH C4 9
2 9 1 11 2 15 1 0 0 0 0 0 0 -7.894300 -6.279900 14.022100 1XA 0 0.08620 0.08620 UNCH C5 10
2 10 2 12 1 22 1 0 0 0 0 0 0 -6.976500 -6.506600 12.988700 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -5.667600 -6.890900 13.284100 1XA 0 -0.15000 -0.15000 UNCH C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -5.273500 -7.059000 14.610900 1XA 0 -0.15000 -0.15000 UNCH C8 13
2 13 1 15 2 25 1 0 0 0 0 0 0 -6.187500 -6.851300 15.644100 1XA 0 -0.15000 -0.15000 UNCH C9 14
2 10 1 14 2 26 1 0 0 0 0 0 0 -7.498500 -6.465700 15.353600 1XA 0 -0.15000 -0.15000 UNCH C10 15
2 3 2 4 1 6 1 0 0 0 0 0 0 -11.089700 -3.163600 13.519100 1XA 0 0.72000 0.72000 UNCH C11 16
3 4 1 27 1 28 1 29 1 0 0 0 0 -10.007000 -1.096800 13.458900 1XA 0 0.28000 0.28000 UNCH C12 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.320600 -6.407200 14.001600 1XA 0 0.10000 0.10000 UNCH H1 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -13.151900 -4.989300 13.240400 1XA 0 0.10000 0.10000 UNCH H2 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.176800 -5.168500 16.181801 1XA 0 0.10000 0.10000 UNCH H3 20
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.402000 -4.649500 15.309400 1XA 0 0.37000 0.37000 UNCH H4 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.279500 -6.382900 11.950400 1XA 0 0.15000 0.15000 UNCH H5 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -4.958100 -7.063100 12.478200 1XA 0 0.15000 0.15000 UNCH H6 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -4.254500 -7.362900 14.839100 1XA 0 0.15000 0.15000 UNCH H7 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.879300 -7.001000 16.676300 1XA 0 0.15000 0.15000 UNCH H8 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.199700 -6.344100 16.173901 1XA 0 0.15000 0.15000 UNCH H9 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.946100 -0.534700 13.474800 1XA 0 0.00000 0.00000 UNCH H10 27
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.252200 -0.523200 14.004000 1XA 0 0.00000 0.00000 UNCH H11 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.656800 -1.240400 12.431900 1XA 0 0.00000 0.00000 UNCH H12 29
32 [CINVIE,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 12 2 0 0 0 0 0 0 0 0 0 0 -10.228000 -6.591500 15.637100 1XA 0 -0.57000 -0.57000 UNCH O1 1
16 13 1 22 1 0 0 0 0 0 0 0 0 -9.503000 -7.041100 13.060200 1XA 0 -0.68000 -0.68000 UNCH O2 2
18 9 1 0 0 0 0 0 0 0 0 0 0 -11.815900 -4.706600 13.123300 1XA 0 -0.52000 -0.52000 UNCH O3 3
15 9 2 0 0 0 0 0 0 0 0 0 0 -11.163600 -5.128800 11.066700 1XA 0 -0.52000 -0.52000 UNCH O4 4
18 10 1 0 0 0 0 0 0 0 0 0 0 -9.944900 -2.222600 11.189300 1XA 0 -0.52000 -0.52000 UNCH O5 5
15 10 2 0 0 0 0 0 0 0 0 0 0 -11.000200 -1.505100 12.979300 1XA 0 -0.52000 -0.52000 UNCH O6 6
18 11 1 0 0 0 0 0 0 0 0 0 0 -11.313000 -3.277400 17.116501 1XA 0 -0.52000 -0.52000 UNCH O7 7
15 11 2 0 0 0 0 0 0 0 0 0 0 -9.601100 -4.530500 17.708599 1XA 0 -0.52000 -0.52000 UNCH O8 8
31 3 1 4 2 14 1 0 0 0 0 0 0 -10.952700 -4.853000 12.250800 1XA 0 0.79980 0.79980 UNCH N1 9
31 5 1 6 2 15 1 0 0 0 0 0 0 -10.178700 -2.228500 12.404800 1XA 0 0.79980 0.79980 UNCH N2 10
31 7 1 8 2 17 1 0 0 0 0 0 0 -10.352300 -4.016300 16.872200 1XA 0 0.83560 0.83560 UNCH N3 11
2 1 2 13 1 17 1 0 0 0 0 0 0 -9.851700 -5.607300 15.005800 1XA 0 0.49460 0.49460 UNCH C1 12
3 2 1 12 1 14 1 21 1 0 0 0 0 -9.152000 -5.782600 13.646200 1XA 0 0.34100 0.34100 UNCH C2 13
3 9 1 13 1 15 1 23 1 0 0 0 0 -9.506400 -4.641700 12.668300 1XA 0 0.24020 0.24020 UNCH C3 14
3 10 1 14 1 16 1 18 1 0 0 0 0 -9.325500 -3.215400 13.267500 1XA 0 0.47340 0.47340 UNCH C4 15
2 15 1 17 2 24 1 0 0 0 0 0 0 -9.776400 -3.139300 14.730100 1XA 0 -0.28820 -0.28820 UNCH C5 16
2 11 1 12 1 16 2 0 0 0 0 0 0 -10.011200 -4.222700 15.490600 1XA 0 0.21880 0.21880 UNCH C6 17
3 15 1 19 1 20 1 25 1 0 0 0 0 -7.863100 -2.735600 13.074000 1XA 0 -0.19500 -0.19500 UNCH C7 18
3 18 1 20 1 26 1 27 1 0 0 0 0 -7.429100 -1.351100 13.521700 1XA 0 -0.20000 -0.20000 UNCH C8 19
3 18 1 19 1 28 1 29 1 0 0 0 0 -6.854800 -2.560200 14.195800 1XA 0 -0.20000 -0.20000 UNCH C9 20
3 13 1 30 1 31 1 32 1 0 0 0 0 -7.645600 -5.890700 13.914400 1XA 0 0.00000 0.00000 UNCH C10 21
42 2 1 0 0 0 0 0 0 0 0 0 0 -9.648000 -7.680500 13.791800 1XA 0 0.40000 0.40000 UNCH H2 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.934900 -4.761400 11.737200 1XA 0 0.00000 0.00000 UNCH H3 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.891100 -2.143000 15.162200 1XA 0 0.15000 0.15000 UNCH H5 24
41 18 1 0 0 0 0 0 0 0 0 0 0 -7.469500 -3.035200 12.102400 1XA 0 0.10000 0.10000 UNCH H7 25
41 19 1 0 0 0 0 0 0 0 0 0 0 -8.104900 -0.723300 14.093500 1XA 0 0.10000 0.10000 UNCH H81 26
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.781600 -0.782800 12.859300 1XA 0 0.10000 0.10000 UNCH H82 27
41 20 1 0 0 0 0 0 0 0 0 0 0 -5.815000 -2.799900 13.988500 1XA 0 0.10000 0.10000 UNCH H91 28
41 20 1 0 0 0 0 0 0 0 0 0 0 -7.124200 -2.718200 15.233900 1XA 0 0.10000 0.10000 UNCH H92 29
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.406500 -6.850100 14.390700 1XA 0 0.00000 0.00000 UNCH H101 30
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.274900 -5.111000 14.581200 1XA 0 0.00000 0.00000 UNCH H102 31
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.076500 -5.861200 12.978700 1XA 0 0.00000 0.00000 UNCH H103 32
26 [CIPVOM,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 8 1 2 2 0 0 0 0 0 0 0 0 -9.080100 -5.142200 14.102600 1XA 0 -0.12600 -0.12600 CIPV N11 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -8.729500 -6.309600 14.488500 1XA 0 -0.06200 -0.06200 CIPV N21 2
26 2 1 9 1 4 1 0 0 0 0 0 0 -7.943800 -6.187300 15.647500 1XA 0 -0.37810 -0.37810 CIPV N31 3
25 3 1 8 1 5 1 0 0 0 0 0 0 -7.753200 -4.872800 15.824600 1XA 0 0.70960 0.70960 CIPV N41 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -7.093100 -4.120900 16.691601 1XA 0 -0.70680 -0.70680 CIPV N51 5
2 5 2 10 1 7 1 0 0 0 0 0 0 -7.417400 -2.877900 16.275200 1XA 0 0.10780 0.10780 CIPV C61 6
2 6 1 12 1 8 2 0 0 0 0 0 0 -8.296900 -2.894100 15.132600 1XA 0 -0.08600 -0.08600 CIPV C71 7
2 1 1 4 1 7 2 0 0 0 0 0 0 -8.472500 -4.234700 14.897900 1XA 0 -0.02560 -0.02560 CIPV C711 8
3 3 1 18 1 17 1 16 1 0 0 0 0 -6.886300 -7.148300 15.818600 1XA 0 0.30010 0.30010 CIPV C311 9
3 6 1 21 1 20 1 19 1 0 0 0 0 -6.877200 -1.690200 16.987000 1XA 0 0.18100 0.18100 CIPV C611 10
15 12 2 0 0 0 0 0 0 0 0 0 0 -8.634500 -0.612200 14.703700 1XA 0 -0.57000 -0.57000 CIPV O721 11
2 7 1 11 2 13 1 0 0 0 0 0 0 -8.859600 -1.779500 14.408400 1XA 0 0.80600 0.80600 CIPV C731 12
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.656400 -2.168200 13.373200 1XA 0 -0.43000 -0.43000 CIPV O741 13
3 13 1 23 1 22 1 15 1 0 0 0 0 -10.235900 -1.090000 12.630400 1XA 0 0.28000 0.28000 CIPV C751 14
3 14 1 26 1 25 1 24 1 0 0 0 0 -11.088000 -1.682300 11.525000 1XA 0 0.00000 0.00000 CIPV C761 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.117700 -6.990900 15.056200 1XA 0 0.00000 0.00000 CIPV H311 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.300500 -8.156100 15.724200 1XA 0 0.00000 0.00000 CIPV H321 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.450600 -7.035400 16.815399 1XA 0 0.00000 0.00000 CIPV H331 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.284000 -1.073600 16.304501 1XA 0 0.00000 0.00000 CIPV H611 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.693700 -1.081700 17.388100 1XA 0 0.00000 0.00000 CIPV H621 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.233000 -1.982300 17.822901 1XA 0 0.00000 0.00000 CIPV H631 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.860300 -0.478700 13.291500 1XA 0 0.00000 0.00000 CIPV H751 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.442600 -0.472100 12.195200 1XA 0 0.00000 0.00000 CIPV H752 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.873300 -2.320400 11.943600 1XA 0 0.00000 0.00000 CIPV H761 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.554200 -0.894400 10.926900 1XA 0 0.00000 0.00000 CIPV H762 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.481600 -2.313900 10.867400 1XA 0 0.00000 0.00000 CIPV H763 26
18 [CIPYAB10,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 3 1 4 2 0 0 0 0 0 0 -9.207900 -4.772100 14.208800 1XA 0 0.00000 0.00000 CHGB C1 1
2 1 1 3 1 5 2 0 0 0 0 0 0 -7.941100 -4.251900 14.494700 1XA 0 0.00000 0.00000 CHGB C2 2
2 1 1 2 1 6 2 0 0 0 0 0 0 -9.032600 -3.390500 14.340800 1XA 0 0.00000 0.00000 CHGB C3 3
2 1 2 7 1 8 1 0 0 0 0 0 0 -9.994500 -5.809400 13.980900 1XA 0 0.13000 0.13000 CHGB C4 4
2 2 2 9 1 10 1 0 0 0 0 0 0 -6.654800 -4.438100 14.734600 1XA 0 0.13000 0.13000 CHGB C5 5
2 3 2 11 1 12 1 0 0 0 0 0 0 -9.532300 -2.167000 14.328900 1XA 0 0.13000 0.13000 CHGB C6 6
1 4 1 13 3 0 0 0 0 0 0 0 0 -11.377500 -5.624100 13.722000 1XA 0 0.49210 0.49210 CHGB C7 7
1 4 1 14 3 0 0 0 0 0 0 0 0 -9.471200 -7.128600 13.990700 1XA 0 0.49210 0.49210 CHGB C8 8
1 5 1 15 3 0 0 0 0 0 0 0 0 -6.105000 -5.746300 14.750400 1XA 0 0.49210 0.49210 CHGB C9 9
1 5 1 16 3 0 0 0 0 0 0 0 0 -5.798800 -3.333300 14.980900 1XA 0 0.49210 0.49210 CHGB C10 10
1 6 1 17 3 0 0 0 0 0 0 0 0 -8.699100 -1.044100 14.572000 1XA 0 0.49210 0.49210 CHGB C11 11
1 6 1 18 3 0 0 0 0 0 0 0 0 -10.911600 -1.952600 14.072700 1XA 0 0.49210 0.49210 CHGB C12 12
24 7 3 0 0 0 0 0 0 0 0 0 0 -12.505100 -5.459800 13.511700 1XA 0 -0.55710 -0.55710 CHGB N1 13
24 8 3 0 0 0 0 0 0 0 0 0 0 -9.032200 -8.200900 14.001400 1XA 0 -0.55710 -0.55710 CHGB N2 14
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.667800 -6.819400 14.760600 1XA 0 -0.55710 -0.55710 CHGB N3 15
24 10 3 0 0 0 0 0 0 0 0 0 0 -5.109900 -2.423100 15.180600 1XA 0 -0.55710 -0.55710 CHGB N4 16
24 11 3 0 0 0 0 0 0 0 0 0 0 -8.008600 -0.135300 14.772000 1XA 0 -0.55710 -0.55710 CHGB N5 17
24 12 3 0 0 0 0 0 0 0 0 0 0 -12.039500 -1.790500 13.862300 1XA 0 -0.55710 -0.55710 CHGB N6 18
14 [CISMOG,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 3 1 0 0 0 0 0 0 0 0 -11.819500 -5.916610 13.641000 1XA 0 0.44140 0.44140 UNCH S1 1
25 1 1 4 2 0 0 0 0 0 0 0 0 -10.301500 -6.518670 14.010200 1XA 0 -0.50950 -0.50950 UNCH N1 2
25 1 1 5 2 0 0 0 0 0 0 0 0 -11.524800 -4.268220 13.712700 1XA 0 -0.50950 -0.50950 UNCH N2 3
2 2 2 5 1 8 1 0 0 0 0 0 0 -9.585020 -5.417440 14.184500 1XA 0 0.28880 0.28880 UNCH C1 4
2 3 2 4 1 6 1 0 0 0 0 0 0 -10.224300 -4.114930 14.029000 1XA 0 0.28880 0.28880 UNCH C2 5
2 5 1 7 1 9 2 0 0 0 0 0 0 -9.566820 -2.864770 14.189000 1XA 0 -0.15000 -0.15000 UNCH C3 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.112900 -1.935860 14.056200 1XA 0 0.15000 0.15000 UNCH H1 7
2 4 1 10 2 11 1 0 0 0 0 0 0 -8.182870 -5.417440 14.525600 1XA 0 0.28880 0.28880 UNCH C1B 8
2 6 2 11 1 12 1 0 0 0 0 0 0 -8.201090 -2.864770 14.521200 1XA 0 -0.15000 -0.15000 UNCH C3B 9
25 8 2 13 1 0 0 0 0 0 0 0 0 -7.466430 -6.518670 14.699800 1XA 0 -0.50950 -0.50950 UNCH N1B 10
2 8 1 9 1 14 2 0 0 0 0 0 0 -7.543620 -4.114940 14.681100 1XA 0 0.28880 0.28880 UNCH C2B 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.654980 -1.935860 14.654100 1XA 0 0.15000 0.15000 UNCH H1B 12
49 10 1 14 1 0 0 0 0 0 0 0 0 -5.948400 -5.916620 15.069100 1XA 0 0.44140 0.44140 UNCH S1B 13
25 11 2 13 1 0 0 0 0 0 0 0 0 -6.243150 -4.268230 14.997400 1XA 0 -0.50950 -0.50950 UNCH N2B 14
24 [CISPOJ,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 21 1 0 0 0 0 0 0 -8.794400 -3.264600 14.004900 1XA 0 -0.15000 -0.15000 CISP C1 1
2 1 2 3 1 13 1 0 0 0 0 0 0 -8.961100 -4.641300 14.261500 1XA 0 -0.15160 -0.15160 CISP C2 2
2 2 1 4 2 7 1 0 0 0 0 0 0 -8.347400 -5.626100 13.480900 1XA 0 0.00000 0.00000 CISP C3 3
2 3 2 5 1 15 1 0 0 0 0 0 0 -7.535300 -5.211400 12.402600 1XA 0 0.13300 0.13300 CISP C4 4
2 4 1 6 2 22 1 0 0 0 0 0 0 -7.343300 -3.849700 12.120200 1XA 0 -0.15000 -0.15000 CISP C5 5
2 1 1 5 2 16 1 0 0 0 0 0 0 -7.975000 -2.893700 12.921800 1XA 0 0.13300 0.13300 CISP C6 6
2 3 1 14 2 23 1 0 0 0 0 0 0 -8.759600 -6.843600 14.071100 1XA 0 0.13880 0.13880 CISP C7 7
2 9 2 12 1 13 1 0 0 0 0 0 0 -10.475700 -4.846100 16.247101 1XA 0 0.11050 0.11050 CISP C8 8
25 8 2 10 1 0 0 0 0 0 0 0 0 -10.734300 -3.591600 16.534901 1XA 0 -0.33810 -0.33810 CISP N1 9
25 9 1 11 2 0 0 0 0 0 0 0 0 -11.570700 -3.637600 17.628901 1XA 0 0.00000 0.00000 CISP N2 10
25 10 2 12 1 0 0 0 0 0 0 0 0 -11.813500 -4.891900 17.995300 1XA 0 -0.41800 -0.41800 CISP N3 11
25 8 1 11 1 24 1 0 0 0 0 0 0 -11.126600 -5.649500 17.128099 1XA 0 0.29960 0.29960 CISP N4 12
25 2 1 8 1 14 1 0 0 0 0 0 0 -9.682200 -5.323100 15.228700 1XA 0 0.64560 0.64560 CISP N5 13
25 7 2 13 1 0 0 0 0 0 0 0 0 -9.559600 -6.668700 15.124200 1XA 0 -0.70680 -0.70680 CISP N6 14
31 4 1 17 1 18 2 0 0 0 0 0 0 -6.876600 -6.220600 11.580100 1XA 0 0.90700 0.90700 CISP N7 15
31 6 1 19 1 20 2 0 0 0 0 0 0 -7.780700 -1.464800 12.625900 1XA 0 0.90700 0.90700 CISP N8 16
18 15 1 0 0 0 0 0 0 0 0 0 0 -7.404000 -7.337100 11.500500 1XA 0 -0.52000 -0.52000 CISP O1 17
15 15 2 0 0 0 0 0 0 0 0 0 0 -5.830700 -5.887800 11.008500 1XA 0 -0.52000 -0.52000 CISP O2 18
18 16 1 0 0 0 0 0 0 0 0 0 0 -7.180200 -1.174900 11.582600 1XA 0 -0.52000 -0.52000 CISP O3 19
15 16 2 0 0 0 0 0 0 0 0 0 0 -8.229000 -0.643700 13.435800 1XA 0 -0.52000 -0.52000 CISP O4 20
41 1 1 0 0 0 0 0 0 0 0 0 0 -9.286200 -2.519100 14.628900 1XA 0 0.15000 0.15000 CISP H1 21
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.710100 -3.547900 11.286000 1XA 0 0.15000 0.15000 CISP H5 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.508500 -7.856800 13.775600 1XA 0 0.15000 0.15000 CISP H7 23
43 12 1 0 0 0 0 0 0 0 0 0 0 -11.142600 -6.661300 17.187799 1XA 0 0.27000 0.27000 CISP H4 24
18 [CITDIS,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 10 1 12 1 0 0 0 0 0 0 -9.059100 -4.511900 14.363100 1XA 0 0.08250 0.08250 UNCH C1 1
2 1 2 3 1 4 1 0 0 0 0 0 0 -7.736600 -4.047200 14.300800 1XA 0 0.17700 0.17700 UNCH C2 2
57 2 1 0 0 0 0 0 0 0 0 0 0 -7.176000 -2.904900 15.477900 1XA 0 -0.17700 -0.17700 UNCH CL2 3
2 2 1 5 1 6 2 0 0 0 0 0 0 -6.893800 -4.529500 13.290900 1XA 0 0.17700 0.17700 UNCH C3 4
57 4 1 0 0 0 0 0 0 0 0 0 0 -5.251700 -4.014500 13.126600 1XA 0 -0.17700 -0.17700 UNCH CL3 5
2 4 2 7 1 8 1 0 0 0 0 0 0 -7.367600 -5.471400 12.369100 1XA 0 -0.15000 -0.15000 UNCH C4 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.714900 -5.846500 11.583100 1XA 0 0.15000 0.15000 UNCH H4 7
2 6 1 9 1 10 2 0 0 0 0 0 0 -8.679700 -5.943700 12.453300 1XA 0 -0.15000 -0.15000 UNCH C5 8
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.032900 -6.681200 11.735900 1XA 0 0.15000 0.15000 UNCH H5 9
2 1 1 8 2 11 1 0 0 0 0 0 0 -9.525800 -5.469100 13.454400 1XA 0 0.17700 0.17700 UNCH C6 10
57 10 1 0 0 0 0 0 0 0 0 0 0 -11.131300 -6.093100 13.546900 1XA 0 -0.17700 -0.17700 UNCH CL6 11
16 1 1 13 1 0 0 0 0 0 0 0 0 -9.912300 -4.049800 15.373600 1XA 0 -0.23250 -0.23250 UNCH O1 12
2 12 1 14 2 15 1 0 0 0 0 0 0 -10.624500 -2.928500 14.965800 1XA 0 0.65900 0.65900 UNCH C7 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -10.551800 -2.378300 13.875000 1XA 0 -0.57000 -0.57000 UNCH O7 14
3 13 1 16 1 17 1 18 1 0 0 0 0 -11.515100 -2.482400 16.085899 1XA 0 0.06100 0.06100 UNCH C8 15
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.910400 -2.216700 16.956499 1XA 0 0.00000 0.00000 UNCH H81 16
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.078700 -1.599800 15.770300 1XA 0 0.00000 0.00000 UNCH H82 17
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.222800 -3.276900 16.335199 1XA 0 0.00000 0.00000 UNCH H83 18
28 [CITNOI10,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 7 1 0 0 0 0 0 0 0 0 -8.266400 -2.234200 13.217100 1XA 0 -0.37100 -0.37100 CITK S1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 -5.808600 -1.871700 14.031200 1XA 0 -0.57000 -0.57000 CITK O1 2
15 9 2 0 0 0 0 0 0 0 0 0 0 -7.820000 -5.163700 15.857600 1XA 0 -0.57000 -0.57000 CITK O2 3
25 8 1 9 1 16 1 0 0 0 0 0 0 -7.465500 -5.122900 13.595600 1XA 0 -0.73010 -0.73010 CITK N1 4
3 6 1 17 1 18 1 19 1 0 0 0 0 -8.848100 -1.570300 15.835100 1XA 0 0.00000 0.00000 CITK C1 5
3 1 1 5 1 20 1 21 1 0 0 0 0 -8.603600 -0.958500 14.466200 1XA 0 0.23000 0.23000 CITK C2 6
2 1 1 2 2 8 1 0 0 0 0 0 0 -6.651500 -2.719200 13.753400 1XA 0 0.65000 0.65000 CITK C3 7
3 4 1 7 1 22 1 23 1 0 0 0 0 -6.332400 -4.216100 13.712200 1XA 0 0.36110 0.36110 CITK C4 8
2 3 2 4 1 10 1 0 0 0 0 0 0 -8.162300 -5.494200 14.728300 1XA 0 0.54380 0.54380 CITK C5 9
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2 1 1 8 1 10 2 0 0 0 0 0 0 -10.219100 -3.783300 14.803500 1XA 0 0.08620 0.08620 COCX C9 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -9.342800 -4.505500 15.619600 1XA 0 0.08620 0.08620 COCX C10 10
1 14 1 13 3 0 0 0 0 0 0 0 0 -10.389000 -2.344800 11.462200 1XA 0 0.66310 0.66310 COCX C11 11
1 16 1 15 3 0 0 0 0 0 0 0 0 -6.004200 -5.958300 15.545400 1XA 0 0.66310 0.66310 COCX C12 12
24 11 3 0 0 0 0 0 0 0 0 0 0 -10.098400 -2.034300 10.384600 1XA 0 -0.55710 -0.55710 COCX N1 13
25 1 2 11 1 0 0 0 0 0 0 0 0 -10.695600 -2.717300 12.709000 1XA 0 -0.55600 -0.55600 COCX N2 14
24 12 3 0 0 0 0 0 0 0 0 0 0 -4.952600 -6.274900 15.176300 1XA 0 -0.55710 -0.55710 COCX N3 15
25 4 2 12 1 0 0 0 0 0 0 0 0 -7.222900 -5.579000 15.942700 1XA 0 -0.55600 -0.55600 COCX N4 16
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.164000 -3.539800 11.968700 1XA 0 0.15000 0.15000 COCX H2 17
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.670800 -4.770400 13.359200 1XA 0 0.15000 0.15000 COCX H3 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.077800 -5.420900 17.575001 1XA 0 0.15000 0.15000 COCX H5 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.298900 -4.774900 18.410200 1XA 0 0.15000 0.15000 COCX H6 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.854300 -3.493200 16.961800 1XA 0 0.15000 0.15000 COCX H7 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.185000 -2.860300 14.681600 1XA 0 0.15000 0.15000 COCX H8 22
23 [COGDEH,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 7 2 2 1 0 0 0 0 0 0 0 0 -9.847000 -5.911400 17.778601 1XA 0 -0.33810 -0.33810 COGD N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -8.831000 -6.166000 18.672199 1XA 0 0.00000 0.00000 COGD N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -7.663300 -5.739000 18.209600 1XA 0 -0.41800 -0.41800 COGD N3 3
25 3 1 7 1 5 1 0 0 0 0 0 0 -7.934400 -5.207700 17.012100 1XA 0 0.77160 0.77160 COGD N4 4
25 4 1 8 2 0 0 0 0 0 0 0 0 -6.982500 -4.660300 16.222300 1XA 0 -0.65200 -0.65200 COGD N5 5
25 9 2 7 1 0 0 0 0 0 0 0 0 -9.825300 -4.847400 15.583700 1XA 0 -0.57600 -0.57600 COGD N6 6
2 1 2 4 1 6 1 0 0 0 0 0 0 -9.290100 -5.314800 16.744400 1XA 0 0.31250 0.31250 COGD C1 7
2 5 2 10 1 9 1 0 0 0 0 0 0 -7.479600 -4.208200 15.107200 1XA 0 0.43560 0.43560 COGD C2 8
2 6 2 8 1 13 1 0 0 0 0 0 0 -8.972100 -4.301700 14.762100 1XA 0 0.36380 0.36380 COGD C3 9
2 8 1 18 1 11 2 0 0 0 0 0 0 -6.585600 -3.573600 14.116000 1XA 0 -0.13560 -0.13560 COGD C4 10
2 10 2 19 1 12 1 0 0 0 0 0 0 -7.060200 -3.098200 12.960600 1XA 0 -0.17840 -0.17840 COGD C5 11
2 11 1 14 1 13 2 0 0 0 0 0 0 -8.476900 -3.171900 12.602000 1XA 0 0.02840 0.02840 COGD C6 12
2 9 1 12 2 17 1 0 0 0 0 0 0 -9.419200 -3.751500 13.461700 1XA 0 0.08620 0.08620 COGD C7 13
2 12 1 20 1 15 2 0 0 0 0 0 0 -8.908100 -2.653700 11.373700 1XA 0 -0.15000 -0.15000 COGD C8 14
2 14 2 21 1 16 1 0 0 0 0 0 0 -10.256500 -2.714200 11.012400 1XA 0 -0.15000 -0.15000 COGD C9 15
2 15 1 22 1 17 2 0 0 0 0 0 0 -11.186800 -3.292300 11.873300 1XA 0 -0.15000 -0.15000 COGD C10 16
2 13 1 16 2 23 1 0 0 0 0 0 0 -10.771400 -3.811800 13.098700 1XA 0 -0.15000 -0.15000 COGD C11 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.532900 -3.513100 14.370700 1XA 0 0.15000 0.15000 COGD H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.379000 -2.636300 12.250400 1XA 0 0.15000 0.15000 COGD H5 19
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.202100 -2.196900 10.682900 1XA 0 0.15000 0.15000 COGD H8 20
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.581400 -2.309100 10.056400 1XA 0 0.15000 0.15000 COGD H9 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.236300 -3.338900 11.591100 1XA 0 0.15000 0.15000 COGD H10 22
41 17 1 0 0 0 0 0 0 0 0 0 0 -11.507100 -4.261100 13.763200 1XA 0 0.15000 0.15000 COGD H11 23
18 [COGYAY,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 5 1 0 0 0 0 0 0 0 0 0 0 -7.502200 -1.029200 11.623000 1XA 0 -0.12300 -0.12300 COGH CL1 1
25 3 1 6 2 0 0 0 0 0 0 0 0 -10.070600 -3.688100 12.775700 1XA 0 -0.70680 -0.70680 COGH N1 2
25 2 1 4 1 7 1 0 0 0 0 0 0 -8.995400 -3.813300 13.609100 1XA 0 0.85900 0.85900 COGH N2 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -7.960500 -2.959700 13.376100 1XA 0 -0.70680 -0.70680 COGH N3 4
2 1 1 4 2 6 1 0 0 0 0 0 0 -8.410600 -2.258400 12.337600 1XA 0 0.41180 0.41180 COGH C4 5
2 2 2 5 1 13 1 0 0 0 0 0 0 -9.684300 -2.694500 11.971300 1XA 0 0.13880 0.13880 COGH C5 6
2 3 1 8 2 12 1 0 0 0 0 0 0 -8.959500 -4.773900 14.653400 1XA 0 -0.02300 -0.02300 COGH C6 7
2 7 2 9 1 14 1 0 0 0 0 0 0 -7.834100 -4.866900 15.485300 1XA 0 -0.15000 -0.15000 COGH C7 8
2 8 1 10 2 15 1 0 0 0 0 0 0 -7.803000 -5.813400 16.511400 1XA 0 -0.15000 -0.15000 COGH C8 9
2 9 2 11 1 16 1 0 0 0 0 0 0 -8.888700 -6.666100 16.710400 1XA 0 -0.15000 -0.15000 COGH C9 10
2 10 1 12 2 17 1 0 0 0 0 0 0 -10.009700 -6.576700 15.885200 1XA 0 -0.15000 -0.15000 COGH C10 11
2 7 1 11 2 18 1 0 0 0 0 0 0 -10.049300 -5.633100 14.856600 1XA 0 -0.15000 -0.15000 COGH C11 12
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.334500 -2.349000 11.180500 1XA 0 0.15000 0.15000 COGH H1 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.976200 -4.211300 15.347500 1XA 0 0.15000 0.15000 COGH H2 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.930500 -5.885300 17.156300 1XA 0 0.15000 0.15000 COGH H3 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.861100 -7.401900 17.510401 1XA 0 0.15000 0.15000 COGH H4 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.854500 -7.242800 16.042700 1XA 0 0.15000 0.15000 COGH H5 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.933400 -5.580000 14.224200 1XA 0 0.15000 0.15000 COGH H6 18
15 [COHKOZ,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 8 1 0 0 0 0 0 0 0 0 -9.299200 -2.292800 14.061700 1XA 0 0.18070 0.18070 UNCH S1 1
16 10 1 11 1 0 0 0 0 0 0 0 0 -10.658300 -4.078100 15.991200 1XA 0 -0.43000 -0.43000 UNCH O9 2
25 1 1 7 2 0 0 0 0 0 0 0 0 -8.107800 -2.163400 12.893100 1XA 0 -0.50950 -0.50950 UNCH N2 3
25 7 1 8 2 0 0 0 0 0 0 0 0 -7.994400 -4.416500 13.606800 1XA 0 -0.56530 -0.56530 UNCH N4 4
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.603300 -3.770700 11.120800 1XA 0 -0.55710 -0.55710 UNCH N7 5
25 10 2 12 1 0 0 0 0 0 0 0 0 -9.430900 -6.000800 15.536000 1XA 0 -0.85000 -0.85000 UNCH N11 6
2 3 2 4 1 9 1 0 0 0 0 0 0 -7.545200 -3.371400 12.803300 1XA 0 0.53500 0.53500 UNCH C3 7
2 1 1 4 2 10 1 0 0 0 0 0 0 -8.975100 -3.946400 14.358800 1XA 0 0.29310 0.29310 UNCH C5 8
1 5 3 7 1 0 0 0 0 0 0 0 0 -6.472200 -3.585800 11.871400 1XA 0 0.53810 0.53810 UNCH C6 9
2 2 1 6 2 8 1 0 0 0 0 0 0 -9.687100 -4.751700 15.322300 1XA 0 0.68500 0.68500 UNCH C8 10
3 2 1 13 1 14 1 15 1 0 0 0 0 -11.392400 -4.836900 16.958599 1XA 0 0.28000 0.28000 UNCH C10 11
43 6 1 0 0 0 0 0 0 0 0 0 0 -8.659500 -6.279900 14.911500 1XA 0 0.40000 0.40000 UNCH H11 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.132800 -4.173100 17.413799 1XA 0 0.00000 0.00000 UNCH H101 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.921700 -5.664400 16.476101 1XA 0 0.00000 0.00000 UNCH H102 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.726000 -5.201800 17.746300 1XA 0 0.00000 0.00000 UNCH H103 15
23 [COJFIQ,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 13 1 6 2 2 1 0 0 0 0 0 0 -8.808100 -5.574800 13.642900 1XA 0 -0.17900 -0.17900 COJF N1 1
2 1 1 23 1 3 2 0 0 0 0 0 0 -7.626300 -6.094000 14.012800 1XA 0 0.52100 0.52100 COJF C2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -6.709000 -5.467600 14.780900 1XA 0 -0.57900 -0.57900 COJF N3 3
2 3 1 10 1 5 2 0 0 0 0 0 0 -7.123800 -4.214000 15.131700 1XA 0 0.61900 0.61900 COJF C4 4
2 4 2 8 1 6 1 0 0 0 0 0 0 -8.332600 -3.624500 14.777400 1XA 0 0.30900 0.30900 COJF C5 5
2 1 2 5 1 7 1 0 0 0 0 0 0 -9.255800 -4.347700 13.991300 1XA 0 0.50200 0.50200 COJF C6 6
25 6 1 12 1 11 1 0 0 0 0 0 0 -10.484400 -3.958000 13.472600 1XA 0 -0.83820 -0.83820 COJF N6 7
25 5 1 14 1 9 2 0 0 0 0 0 0 -8.299600 -2.364100 15.368700 1XA 0 -0.70000 -0.70000 COJF N7 8
2 8 2 15 1 10 1 0 0 0 0 0 0 -7.143500 -2.188700 16.033100 1XA 0 0.65000 0.65000 COJF C8 9
25 4 1 9 1 16 1 0 0 0 0 0 0 -6.438200 -3.312400 15.886700 1XA 0 -0.70000 -0.70000 COJF N9 10
3 7 1 19 1 18 1 17 1 0 0 0 0 -11.639700 -4.721100 13.979500 1XA 0 0.36910 0.36910 COJF C10 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -10.754200 -2.522600 13.328200 1XA 0 0.36910 0.36910 COJF C11 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.406500 -6.114100 13.015300 1XA 0 0.45700 0.45700 COJF H1 13
43 8 1 0 0 0 0 0 0 0 0 0 0 -9.029100 -1.652700 15.337500 1XA 0 0.45000 0.45000 COJF H7 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.845300 -1.302700 16.585699 1XA 0 0.15000 0.15000 COJF H8 15
43 10 1 0 0 0 0 0 0 0 0 0 0 -5.513800 -3.480800 16.281099 1XA 0 0.45000 0.45000 COJF H9 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.810500 -4.505700 15.040300 1XA 0 0.00000 0.00000 COJF H10 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.544300 -4.454800 13.422100 1XA 0 0.00000 0.00000 COJF H11 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.491500 -5.799400 13.858000 1XA 0 0.00000 0.00000 COJF H12 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.906400 -2.006700 12.864200 1XA 0 0.00000 0.00000 COJF H13 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.620100 -2.369500 12.674900 1XA 0 0.00000 0.00000 COJF H14 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.974200 -2.061400 14.296800 1XA 0 0.00000 0.00000 COJF H15 22
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.386500 -7.093200 13.653800 1XA 0 0.15000 0.15000 COJF H2 23
25 [COKDEL,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 3 1 4 1 0 0 0 0 0 0 -9.414200 -2.574900 12.872700 1XA 0 0.35850 0.35850 COKD S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -8.040200 -2.579900 12.271500 1XA 0 -0.50000 -0.50000 COKD O1 2
16 1 1 5 1 0 0 0 0 0 0 0 0 -9.431500 -3.697200 14.028600 1XA 0 -0.33200 -0.33200 COKD O2 3
3 1 1 14 1 15 1 16 1 0 0 0 0 -10.488600 -3.543000 11.784700 1XA 0 0.19350 0.19350 COKD C1 4
3 3 1 6 1 8 1 12 1 0 0 0 0 -8.556900 -3.455800 15.137700 1XA 0 0.48000 0.48000 COKD C2 5
1 5 1 7 3 0 0 0 0 0 0 0 0 -9.330200 -2.780300 16.204599 1XA 0 -0.20000 -0.20000 COKD C3 6
1 6 3 13 1 0 0 0 0 0 0 0 0 -9.959600 -2.222600 17.062599 1XA 0 -0.17700 -0.17700 COKD C4 7
3 5 1 9 1 10 1 11 1 0 0 0 0 -7.947900 -4.817000 15.604500 1XA 0 0.00000 0.00000 COKD C5 8
3 8 1 17 1 18 1 19 1 0 0 0 0 -7.146100 -5.435500 14.437900 1XA 0 0.00000 0.00000 COKD C6 9
3 8 1 20 1 21 1 22 1 0 0 0 0 -6.982900 -4.607500 16.788099 1XA 0 0.00000 0.00000 COKD C7 10
3 8 1 23 1 24 1 25 1 0 0 0 0 -9.038900 -5.826600 16.014799 1XA 0 0.00000 0.00000 COKD C8 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.723700 -2.799600 14.846900 1XA 0 0.00000 0.00000 COKD H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.517900 -1.728400 17.824100 1XA 0 0.17700 0.17700 COKD H4 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -11.466200 -3.665000 12.257100 1XA 0 0.00000 0.00000 COKD H11 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.605100 -3.006100 10.840500 1XA 0 0.00000 0.00000 COKD H12 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.039400 -4.521100 11.595600 1XA 0 0.00000 0.00000 COKD H13 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.661900 -6.370600 14.742100 1XA 0 0.00000 0.00000 COKD H61 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.789400 -5.664800 13.581300 1XA 0 0.00000 0.00000 COKD H62 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.361000 -4.752500 14.094300 1XA 0 0.00000 0.00000 COKD H63 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.504600 -4.242200 17.678900 1XA 0 0.00000 0.00000 COKD H71 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.489000 -5.546000 17.064899 1XA 0 0.00000 0.00000 COKD H72 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.200100 -3.883600 16.535101 1XA 0 0.00000 0.00000 COKD H73 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.736800 -6.021700 15.193300 1XA 0 0.00000 0.00000 COKD H81 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.595300 -6.787000 16.302601 1XA 0 0.00000 0.00000 COKD H82 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.619700 -5.468900 16.871401 1XA 0 0.00000 0.00000 COKD H83 25
27 [COKROJ,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.775600 -6.957600 14.097100 1XA 0 0.15000 0.15000 CHGB H1 1
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.056400 -7.576300 10.765700 1XA 0 0.00000 0.00000 CHGB H2 2
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.539700 -8.951700 11.761300 1XA 0 0.00000 0.00000 CHGB H3 3
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.244800 -8.472800 11.726000 1XA 0 0.00000 0.00000 CHGB H4 4
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.832200 -3.773000 15.016600 1XA 0 0.15000 0.15000 CHGB H5 5
41 20 1 0 0 0 0 0 0 0 0 0 0 -6.131800 -1.876000 13.594400 1XA 0 0.15000 0.15000 CHGB H6 6
41 22 1 0 0 0 0 0 0 0 0 0 0 -9.904600 0.067400 14.341800 1XA 0 0.15000 0.15000 CHGB H7 7
41 23 1 0 0 0 0 0 0 0 0 0 0 -10.593200 -1.836800 15.765500 1XA 0 0.15000 0.15000 CHGB H8 8
43 24 1 0 0 0 0 0 0 0 0 0 0 -6.564400 0.420800 12.983200 1XA 0 0.40000 0.40000 CHGB H9 9
43 24 1 0 0 0 0 0 0 0 0 0 0 -8.035700 1.190700 13.287600 1XA 0 0.40000 0.40000 CHGB H10 10
16 15 1 12 1 0 0 0 0 0 0 0 0 -8.734300 -6.650900 12.939100 1XA 0 -0.01910 -0.01910 CHGB O1 11
25 11 1 13 2 0 0 0 0 0 0 0 0 -8.670900 -5.827600 14.045800 1XA 0 -0.40970 -0.40970 CHGB N1 12
2 12 2 17 1 14 1 0 0 0 0 0 0 -9.880300 -5.871100 14.616900 1XA 0 -0.01720 -0.01720 CHGB C1 13
2 1 1 13 1 15 2 0 0 0 0 0 0 -10.744100 -6.722400 13.885300 1XA 0 -0.15000 -0.15000 CHGB C2 14
2 11 1 14 2 16 1 0 0 0 0 0 0 -9.978600 -7.186000 12.846400 1XA 0 -0.04000 -0.04000 CHGB C3 15
3 2 1 3 1 4 1 15 1 0 0 0 0 -10.218000 -8.094200 11.716100 1XA 0 0.18000 0.18000 CHGB C4 16
201 13 1 27 1 0 0 0 0 0 0 0 0 -10.272600 -5.193900 15.747900 1XA 0 -0.23410 -0.23410 CHGB N2 17
2 27 1 23 1 19 2 0 0 0 0 0 0 -8.745600 -2.905400 15.481800 1XA 0 -0.00900 -0.00900 CHGB C5 18
2 5 1 18 2 20 1 0 0 0 0 0 0 -7.487600 -2.916600 14.883100 1XA 0 -0.15000 -0.15000 CHGB C6 19
2 6 1 19 1 21 2 0 0 0 0 0 0 -7.097300 -1.835900 14.088100 1XA 0 -0.15000 -0.15000 CHGB C7 20
2 20 2 24 1 22 1 0 0 0 0 0 0 -7.931000 -0.721600 13.938300 1XA 0 0.10000 0.10000 CHGB C8 21
2 7 1 21 1 23 2 0 0 0 0 0 0 -9.211200 -0.751300 14.503800 1XA 0 -0.15000 -0.15000 CHGB C9 22
2 8 1 18 1 22 2 0 0 0 0 0 0 -9.613800 -1.828800 15.296900 1XA 0 -0.15000 -0.15000 CHGB C10 23
25 9 1 10 1 21 1 0 0 0 0 0 0 -7.570500 0.317800 13.063800 1XA 0 -0.90000 -0.90000 CHGB N3 24
15 27 2 0 0 0 0 0 0 0 0 0 0 -9.907700 -3.536600 17.651400 1XA 0 -0.65000 -0.65000 CHGB O2 25
15 27 2 0 0 0 0 0 0 0 0 0 0 -7.990100 -4.883000 16.966499 1XA 0 -0.65000 -0.65000 CHGB O3 26
49 17 1 18 1 25 2 26 2 0 0 0 0 -9.258200 -4.273800 16.561501 1XA 0 0.84910 0.84910 CHGB S1 27
44 [COLZUY,44,44,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 9 1 7 1 4 1 0 0 0 0 0 0 -10.144300 -5.921500 13.972300 1XA 0 0.05510 0.05510 COLZ P1 1
3 20 1 19 1 8 1 3 1 0 0 0 0 -7.470800 -6.306600 15.589100 1XA 0 0.00000 0.00000 COLZ C1 2
3 2 1 22 1 21 1 4 1 0 0 0 0 -7.460700 -6.372000 14.056200 1XA 0 0.27000 0.27000 COLZ C2 3
26 1 1 3 1 5 1 0 0 0 0 0 0 -8.569400 -5.635900 13.468700 1XA 0 -0.65100 -0.65100 COLZ N1 4
3 4 1 24 1 23 1 6 1 0 0 0 0 -8.297100 -4.947100 12.209900 1XA 0 0.27000 0.27000 COLZ C3 5
3 5 1 26 1 25 1 10 1 0 0 0 0 -7.366400 -3.697900 12.290700 1XA 0 0.27000 0.27000 COLZ C4 6
26 1 1 11 1 8 1 0 0 0 0 0 0 -9.992700 -5.993200 15.657200 1XA 0 -0.65100 -0.65100 COLZ N2 7
3 2 1 7 1 28 1 27 1 0 0 0 0 -8.821800 -6.683200 16.208500 1XA 0 0.27000 0.27000 COLZ C5 8
3 1 1 31 1 30 1 29 1 0 0 0 0 -10.375000 -7.683400 13.536300 1XA 0 0.16690 0.16690 COLZ C6 9
26 6 1 13 1 12 1 0 0 0 0 0 0 -7.775700 -2.499800 13.052700 1XA 0 -0.65100 -0.65100 COLZ N2B 10
3 7 1 33 1 32 1 14 1 0 0 0 0 -10.402000 -4.795200 16.419100 1XA 0 0.27000 0.27000 COLZ C4B 11
53 10 1 16 1 15 1 0 0 0 0 0 0 -7.624100 -2.571500 14.737600 1XA 0 0.05510 0.05510 COLZ P1B 12
3 10 1 35 1 34 1 17 1 0 0 0 0 -8.946500 -1.809800 12.501400 1XA 0 0.27000 0.27000 COLZ C5B 13
3 11 1 37 1 36 1 15 1 0 0 0 0 -9.471300 -3.545900 16.500000 1XA 0 0.27000 0.27000 COLZ C3B 14
26 12 1 14 1 18 1 0 0 0 0 0 0 -9.199000 -2.857100 15.241200 1XA 0 -0.65100 -0.65100 COLZ N1B 15
3 12 1 40 1 39 1 38 1 0 0 0 0 -7.393400 -0.809700 15.173600 1XA 0 0.16690 0.16690 COLZ C6B 16
3 13 1 42 1 41 1 18 1 0 0 0 0 -10.297600 -2.186400 13.120800 1XA 0 0.00000 0.00000 COLZ C1B 17
3 15 1 17 1 44 1 43 1 0 0 0 0 -10.307600 -2.121000 14.653700 1XA 0 0.27000 0.27000 COLZ C2B 18
41 2 1 0 0 0 0 0 0 0 0 0 0 -6.703300 -6.989000 15.974800 1XA 0 0.00000 0.00000 COLZ H1 19
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.174300 -5.308200 15.919900 1XA 0 0.00000 0.00000 COLZ H2 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.493900 -5.979600 13.720200 1XA 0 0.00000 0.00000 COLZ H3 21
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.481100 -7.418700 13.727700 1XA 0 0.00000 0.00000 COLZ H4 22
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.841200 -5.663500 11.512400 1XA 0 0.00000 0.00000 COLZ H5 23
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23 [COMDIR,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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15 5 2 0 0 0 0 0 0 0 0 0 0 -9.509100 -2.385000 12.442800 1XA 0 -0.57000 -0.57000 UNCH O1 3
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41 12 1 0 0 0 0 0 0 0 0 0 0 -11.954800 -4.646700 13.074600 1XA 0 0.15000 0.15000 UNCH H8 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.981200 -6.866700 14.131800 1XA 0 0.15000 0.15000 UNCH H9 21
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17 [COMKAQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 3 1 8 1 0 0 0 0 0 0 -10.331900 -4.690600 13.636900 1XA 0 0.66700 0.66700 UNCH C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -11.378200 -5.167000 14.050400 1XA 0 -0.57000 -0.57000 UNCH O1 2
16 1 1 4 1 0 0 0 0 0 0 0 0 -10.248600 -3.443000 13.083700 1XA 0 -0.43000 -0.43000 UNCH O2 3
3 3 1 5 1 11 1 12 1 0 0 0 0 -8.934600 -3.219600 12.542700 1XA 0 0.28000 0.28000 UNCH C2 4
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3 6 1 8 1 9 1 16 1 0 0 0 0 -8.095400 -5.431600 14.919200 1XA 0 0.18100 0.18100 UNCH C5 7
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24 9 3 0 0 0 0 0 0 0 0 0 0 -9.351600 -5.626100 17.191700 1XA 0 -0.55710 -0.55710 UNCH N1 10
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.003500 -3.323000 11.454500 1XA 0 0.00000 0.00000 UNCH H1 11
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41 5 1 0 0 0 0 0 0 0 0 0 0 -7.177500 -4.582600 12.461900 1XA 0 0.00000 0.00000 UNCH H3 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.443200 -3.932100 14.736700 1XA 0 0.00000 0.00000 UNCH H4 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.018500 -3.197300 15.107400 1XA 0 0.00000 0.00000 UNCH H5 15
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18 [COMWOQ,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 12 1 8 1 2 1 0 0 0 0 0 0 -10.034600 -5.792500 13.851500 1XA 0 0.03320 0.03320 COMW N1 1
2 1 1 13 1 3 2 0 0 0 0 0 0 -10.888800 -5.104800 14.672500 1XA 0 -0.30160 -0.30160 COMW C2 2
2 2 2 10 1 9 1 0 0 0 0 0 0 -10.271000 -3.926300 15.050800 1XA 0 -0.08600 -0.08600 COMW C3 3
2 14 1 9 1 5 2 0 0 0 0 0 0 -7.903700 -3.003600 14.416300 1XA 0 -0.15000 -0.15000 COMW C4 4
2 4 2 15 1 6 1 0 0 0 0 0 0 -6.754800 -3.302400 13.675200 1XA 0 -0.15000 -0.15000 COMW C5 5
2 5 1 16 1 7 2 0 0 0 0 0 0 -6.669100 -4.485700 12.946500 1XA 0 -0.15000 -0.15000 COMW C6 6
2 6 2 17 1 8 1 0 0 0 0 0 0 -7.724200 -5.402500 12.936000 1XA 0 -0.15000 -0.15000 COMW C7 7
2 1 1 7 1 9 2 0 0 0 0 0 0 -8.866100 -5.087700 13.682900 1XA 0 -0.15160 -0.15160 COMW C8 8
2 3 1 4 1 8 2 0 0 0 0 0 0 -8.984400 -3.910500 14.424200 1XA 0 0.00000 0.00000 COMW C9 9
2 3 1 18 1 11 2 0 0 0 0 0 0 -10.862900 -2.928100 15.922400 1XA 0 0.59600 0.59600 COMW C10 10
15 10 2 0 0 0 0 0 0 0 0 0 0 -10.312000 -1.883400 16.256201 1XA 0 -0.57000 -0.57000 COMW O11 11
43 1 1 0 0 0 0 0 0 0 0 0 0 -10.226300 -6.689300 13.425900 1XA 0 0.27000 0.27000 COMW H12 12
41 2 1 0 0 0 0 0 0 0 0 0 0 -11.860700 -5.513800 14.915500 1XA 0 0.15000 0.15000 COMW H13 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.961400 -2.077000 14.982300 1XA 0 0.15000 0.15000 COMW H14 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.923900 -2.601300 13.671300 1XA 0 0.15000 0.15000 COMW H15 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.767800 -4.700100 12.376700 1XA 0 0.15000 0.15000 COMW H16 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.652700 -6.323300 12.366500 1XA 0 0.15000 0.15000 COMW H17 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.877200 -3.164700 16.286301 1XA 0 0.06000 0.06000 COMW H18 18
27 [COMWUW,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 14 1 9 1 3 1 0 0 0 0 0 0 -7.833100 -2.382500 13.340400 1XA 0 0.03320 0.03320 COMW N1 1
26 13 1 12 1 11 1 0 0 0 0 0 0 -9.017800 -5.003500 16.835501 1XA 0 -0.81000 -0.81000 COMW N11 2
2 1 1 15 1 4 2 0 0 0 0 0 0 -8.289100 -2.328200 14.629600 1XA 0 -0.30160 -0.30160 COMW C2 3
2 3 2 11 1 10 1 0 0 0 0 0 0 -8.978500 -3.497500 14.899300 1XA 0 -0.18100 -0.18100 COMW C3 4
2 16 1 10 1 6 2 0 0 0 0 0 0 -9.439100 -5.551200 13.341400 1XA 0 -0.15000 -0.15000 COMW C4 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.216300 -6.043600 12.050500 1XA 0 -0.15000 -0.15000 COMW C5 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.500400 -5.294500 11.120000 1XA 0 -0.15000 -0.15000 COMW C6 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -7.985200 -4.037500 11.450700 1XA 0 -0.15000 -0.15000 COMW C7 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -8.217500 -3.561300 12.746900 1XA 0 -0.15160 -0.15160 COMW C8 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -8.933800 -4.284700 13.700800 1XA 0 0.00000 0.00000 COMW C9 10
3 2 1 4 1 21 1 20 1 0 0 0 0 -9.664000 -3.850700 16.185600 1XA 0 0.45100 0.45100 COMW C10 11
3 2 1 27 1 26 1 25 1 0 0 0 0 -9.852700 -5.484200 17.936701 1XA 0 0.27000 0.27000 COMW C12 12
3 2 1 24 1 23 1 22 1 0 0 0 0 -7.682500 -4.667600 17.334600 1XA 0 0.27000 0.27000 COMW C13 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.294900 -1.661600 12.881200 1XA 0 0.27000 0.27000 COMW H14 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.086200 -1.465200 15.249100 1XA 0 0.15000 0.15000 COMW H15 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.988100 -6.144400 14.066900 1XA 0 0.15000 0.15000 COMW H16 16
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.231200 -5.534300 17.831600 1XA 0 0.00000 0.00000 COMW H23 23
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25 2 1 3 1 11 1 0 0 0 0 0 0 -9.126300 -5.542700 13.481600 1XA 0 -0.58510 -0.58510 UNCH N1 1
3 1 1 23 1 24 1 25 1 0 0 0 0 -9.304800 -5.189000 12.077900 1XA 0 0.30010 0.30010 UNCH C1 2
2 1 1 4 2 5 1 0 0 0 0 0 0 -10.275800 -5.898400 14.177800 1XA 0 0.69000 0.69000 UNCH C2 3
15 3 2 0 0 0 0 0 0 0 0 0 0 -11.385200 -5.790500 13.654400 1XA 0 -0.57000 -0.57000 UNCH O2 4
25 3 1 6 1 7 1 0 0 0 0 0 0 -10.107400 -6.379700 15.474000 1XA 0 -0.42010 -0.42010 UNCH N3 5
3 5 1 26 1 27 1 28 1 0 0 0 0 -11.309300 -6.793500 16.181700 1XA 0 0.30010 0.30010 UNCH C3 6
2 5 1 8 2 9 1 0 0 0 0 0 0 -8.894900 -6.597800 16.147699 1XA 0 0.57700 0.57700 UNCH C4 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -8.859600 -7.219900 17.218500 1XA 0 -0.57000 -0.57000 UNCH O4 8
3 7 1 10 1 11 1 20 1 0 0 0 0 -7.622500 -6.046900 15.469800 1XA 0 0.35100 0.35100 UNCH C5 9
56 9 1 0 0 0 0 0 0 0 0 0 0 -6.584100 -6.884400 15.750900 1XA 0 -0.29800 -0.29800 UNCH F5 10
3 1 1 9 1 22 1 29 1 0 0 0 0 -7.744100 -5.751600 13.964200 1XA 0 0.22500 0.22500 UNCH C6 11
25 13 1 14 1 22 1 0 0 0 0 0 0 -7.213100 -3.258200 13.498500 1XA 0 -0.58510 -0.58510 UNCH N1_ 12
3 12 1 30 1 31 1 32 1 0 0 0 0 -6.401200 -2.913500 12.339300 1XA 0 0.30010 0.30010 UNCH C1_ 13
2 12 1 15 2 16 1 0 0 0 0 0 0 -8.140700 -2.322900 13.935400 1XA 0 0.69000 0.69000 UNCH C2_ 14
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.319500 -1.270500 13.321900 1XA 0 -0.57000 -0.57000 UNCH O2_ 15
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3 16 1 33 1 34 1 35 1 0 0 0 0 -9.928100 -1.734000 15.459700 1XA 0 0.30010 0.30010 UNCH C3_ 17
2 16 1 19 2 20 1 0 0 0 0 0 0 -8.503100 -3.611900 16.037800 1XA 0 0.57700 0.57700 UNCH C4_ 18
15 18 2 0 0 0 0 0 0 0 0 0 0 -9.133900 -3.732800 17.097000 1XA 0 -0.57000 -0.57000 UNCH O4_ 19
3 9 1 18 1 21 1 22 1 0 0 0 0 -7.305200 -4.529000 15.687700 1XA 0 0.35100 0.35100 UNCH C5_ 20
56 20 1 0 0 0 0 0 0 0 0 0 0 -6.302900 -4.266100 16.568001 1XA 0 -0.29800 -0.29800 UNCH F5_ 21
3 11 1 12 1 20 1 36 1 0 0 0 0 -6.869300 -4.496100 14.219300 1XA 0 0.22500 0.22500 UNCH C6_ 22
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.892500 -4.268300 12.015100 1XA 0 0.00000 0.00000 UNCH H11 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.844500 -5.992900 11.567200 1XA 0 0.00000 0.00000 UNCH H12 24
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.338800 -5.044500 11.588300 1XA 0 0.00000 0.00000 UNCH H13 25
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.445000 -7.868600 16.026600 1XA 0 0.00000 0.00000 UNCH H31 26
41 6 1 0 0 0 0 0 0 0 0 0 0 -12.196700 -6.267200 15.818800 1XA 0 0.00000 0.00000 UNCH H32 27
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.211900 -6.600500 17.254801 1XA 0 0.00000 0.00000 UNCH H33 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.241800 -6.503300 13.342200 1XA 0 0.00000 0.00000 UNCH H6 29
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.007100 -2.403600 11.584500 1XA 0 0.00000 0.00000 UNCH H15 31
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977300 -3.819900 11.897800 1XA 0 0.00000 0.00000 UNCH H16 32
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41 17 1 0 0 0 0 0 0 0 0 0 0 -9.520300 -0.955100 16.111900 1XA 0 0.00000 0.00000 UNCH H35 34
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.715500 -2.270500 15.997900 1XA 0 0.00000 0.00000 UNCH H36 35
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49 2 2 0 0 0 0 0 0 0 0 0 0 -7.628300 -2.762600 15.525700 1XA 0 -0.38000 -0.38000 CONF S1 1
2 1 2 5 1 4 1 0 0 0 0 0 0 -8.331900 -4.138700 14.937600 1XA 0 0.59000 0.59000 CONF C1 2
3 8 1 7 1 6 1 4 1 0 0 0 0 -9.647500 -3.033800 13.209300 1XA 0 0.28000 0.28000 CONF C2 3
16 2 1 3 1 0 0 0 0 0 0 0 0 -9.214800 -4.210300 13.916800 1XA 0 -0.43000 -0.43000 CONF O1 4
25 2 1 10 1 9 1 0 0 0 0 0 0 -8.077900 -5.366600 15.444800 1XA 0 -0.80000 -0.80000 CONF N1 5
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.800100 -2.548500 12.716400 1XA 0 0.00000 0.00000 CONF H1 6
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41 3 1 0 0 0 0 0 0 0 0 0 0 -10.353500 -3.354400 12.437900 1XA 0 0.00000 0.00000 CONF H3 8
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.533100 -6.177500 15.050700 1XA 0 0.37000 0.37000 CONF H4 9
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.434900 -5.477800 16.216200 1XA 0 0.37000 0.37000 CONF H5 10
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32 3 1 5 1 6 1 7 1 0 0 0 0 -9.664300 -3.786800 15.299800 1XA 0 -1.01200 -1.01200 CONL N1 1
32 4 1 5 1 8 1 9 1 0 0 0 0 -8.457000 -4.967900 13.552400 1XA 0 -1.01200 -1.01200 CONL N2 2
3 1 1 4 1 10 1 11 1 0 0 0 0 -10.637000 -4.700500 14.553700 1XA 0 0.50300 0.50300 CONL C1 3
3 2 1 3 1 12 1 13 1 0 0 0 0 -9.739400 -5.737600 13.894300 1XA 0 0.50300 0.50300 CONL C2 4
3 1 1 2 1 14 1 15 1 0 0 0 0 -8.403900 -3.778300 14.479200 1XA 0 1.00600 1.00600 CONL C3 5
3 1 1 16 1 17 1 18 1 0 0 0 0 -9.390500 -4.314500 16.709700 1XA 0 0.50300 0.50300 CONL C5 6
3 1 1 19 1 20 1 21 1 0 0 0 0 -10.242700 -2.380000 15.433300 1XA 0 0.50300 0.50300 CONL C6 7
3 2 1 22 1 23 1 24 1 0 0 0 0 -8.489600 -4.502800 12.093300 1XA 0 0.50300 0.50300 CONL C7 8
3 2 1 25 1 26 1 27 1 0 0 0 0 -7.230500 -5.858700 13.730400 1XA 0 0.50300 0.50300 CONL C8 9
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.150700 -4.097100 13.797000 1XA 0 0.00000 0.00000 CONL H1 10
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41 5 1 0 0 0 0 0 0 0 0 0 0 -8.361100 -2.858400 13.884800 1XA 0 0.00000 0.00000 CONL H5 14
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41 6 1 0 0 0 0 0 0 0 0 0 0 -10.337700 -4.343100 17.256300 1XA 0 0.00000 0.00000 CONL H9 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.685200 -3.637100 17.200300 1XA 0 0.00000 0.00000 CONL H10 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.963800 -5.318100 16.631701 1XA 0 0.00000 0.00000 CONL H11 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.507300 -1.753800 15.946900 1XA 0 0.00000 0.00000 CONL H12 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.170400 -2.444800 16.009199 1XA 0 0.00000 0.00000 CONL H13 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.443400 -1.988900 14.431300 1XA 0 0.00000 0.00000 CONL H14 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.376400 -3.878500 11.949800 1XA 0 0.00000 0.00000 CONL H15 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.536200 -5.387100 11.451000 1XA 0 0.00000 0.00000 CONL H16 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.578500 -3.930700 11.894000 1XA 0 0.00000 0.00000 CONL H17 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.185200 -6.180700 14.775000 1XA 0 0.00000 0.00000 CONL H18 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341300 -5.276200 13.471800 1XA 0 0.00000 0.00000 CONL H19 26
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.335700 -6.723000 13.068200 1XA 0 0.00000 0.00000 CONL H20 27
23 [CORDOC,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 4 1 12 2 13 2 0 0 0 0 -9.514600 -2.863600 12.636300 1XA 0 1.08960 1.08960 CORD S1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 -7.435500 -0.847700 13.073300 1XA 0 -0.29000 -0.29000 CORD CL1 2
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.376200 -2.150400 11.011100 1XA 0 0.10520 0.10520 CORD C1 3
3 1 1 2 1 5 1 18 1 0 0 0 0 -7.967400 -2.508200 13.463100 1XA 0 0.45620 0.45620 CORD C2 4
2 4 1 6 1 14 2 0 0 0 0 0 0 -8.127900 -2.672300 14.959800 1XA 0 0.42280 0.42280 CORD C3 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -8.439100 -4.017000 15.525000 1XA 0 0.08620 0.08620 CORD C4 6
2 6 2 8 1 19 1 0 0 0 0 0 0 -7.983500 -5.203900 14.940500 1XA 0 -0.15000 -0.15000 CORD C5 7
2 7 1 9 2 20 1 0 0 0 0 0 0 -8.296900 -6.434000 15.525800 1XA 0 -0.15000 -0.15000 CORD C6 8
2 8 2 10 1 21 1 0 0 0 0 0 0 -9.052300 -6.483500 16.696699 1XA 0 -0.15000 -0.15000 CORD C7 9
2 9 1 11 2 22 1 0 0 0 0 0 0 -9.494800 -5.303900 17.291000 1XA 0 -0.15000 -0.15000 CORD C8 10
2 6 1 10 2 23 1 0 0 0 0 0 0 -9.186100 -4.073400 16.709999 1XA 0 -0.15000 -0.15000 CORD C9 11
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.573100 -4.301100 12.424700 1XA 0 -0.65000 -0.65000 CORD O1 12
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.605100 -2.186200 13.311500 1XA 0 -0.65000 -0.65000 CORD O2 13
15 5 2 0 0 0 0 0 0 0 0 0 0 -7.979200 -1.751100 15.764900 1XA 0 -0.57000 -0.57000 CORD O3 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -9.420600 -1.062800 11.077700 1XA 0 0.00000 0.00000 CORD H11 15
41 3 1 0 0 0 0 0 0 0 0 0 0 -10.221500 -2.507500 10.417800 1XA 0 0.00000 0.00000 CORD H12 16
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.442400 -2.484800 10.555200 1XA 0 0.00000 0.00000 CORD H13 17
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.197000 -3.176500 13.074000 1XA 0 0.00000 0.00000 CORD H21 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.384100 -5.211400 14.035900 1XA 0 0.15000 0.15000 CORD H51 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.952700 -7.357900 15.066400 1XA 0 0.15000 0.15000 CORD H61 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.295800 -7.442900 17.147100 1XA 0 0.15000 0.15000 CORD H71 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.081100 -5.340200 18.205999 1XA 0 0.15000 0.15000 CORD H81 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.535900 -3.157400 17.184000 1XA 0 0.15000 0.15000 CORD H91 23
8 [CORWUB10,8,8,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -9.000500 -2.631000 13.299000 1XA 0 -0.75000 -0.75000 CORW S13 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -11.094800 -4.194800 14.741600 1XA 0 -0.75000 -0.75000 CORW S23 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -9.486500 -3.938200 14.256000 1XA 0 0.79600 0.79600 CORW C13 3
25 3 1 7 1 5 1 0 0 0 0 0 0 -8.677300 -4.883300 14.719400 1XA 0 -0.72600 -0.72600 CORW N13 4
2 4 1 8 1 6 2 0 0 0 0 0 0 -7.337400 -4.963300 14.508400 1XA 0 0.57000 0.57000 CORW C23 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -6.653600 -5.873200 14.973400 1XA 0 -0.57000 -0.57000 CORW O13 6
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.055600 -5.627700 15.284400 1XA 0 0.37000 0.37000 CORW H13 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.883500 -4.171400 13.897200 1XA 0 0.06000 0.06000 CORW H23 8
18 [COSFAR,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 9 1 10 1 0 0 0 0 0 0 0 0 -7.678000 -6.131000 12.837600 1XA 0 -0.24250 -0.24250 UNCH S1 1
15 10 2 0 0 0 0 0 0 0 0 0 0 -5.415900 -4.929000 13.490000 1XA 0 -0.57000 -0.57000 UNCH O1 2
25 8 1 10 1 11 1 0 0 0 0 0 0 -7.407600 -4.000900 14.295500 1XA 0 -0.47710 -0.47710 UNCH N1 3
2 5 2 9 1 12 1 0 0 0 0 0 0 -10.446900 -5.753100 13.323600 1XA 0 -0.15000 -0.15000 UNCH C1 4
2 4 2 6 1 13 1 0 0 0 0 0 0 -11.449000 -4.994500 13.931500 1XA 0 -0.15000 -0.15000 UNCH C2 5
2 5 1 7 2 14 1 0 0 0 0 0 0 -11.121100 -3.862300 14.691600 1XA 0 -0.15000 -0.15000 UNCH C3 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -9.787300 -3.474000 14.853700 1XA 0 -0.15000 -0.15000 UNCH C4 7
2 3 1 7 1 9 2 0 0 0 0 0 0 -8.796400 -4.233600 14.246000 1XA 0 0.11700 0.11700 UNCH C5 8
2 1 1 4 1 8 2 0 0 0 0 0 0 -9.129000 -5.358900 13.491100 1XA 0 0.10150 0.10150 UNCH C6 9
2 1 1 2 2 3 1 0 0 0 0 0 0 -6.632200 -4.915600 13.597500 1XA 0 0.77100 0.77100 UNCH C7 10
3 3 1 16 1 17 1 18 1 0 0 0 0 -6.828500 -2.895300 15.016800 1XA 0 0.30010 0.30010 UNCH C8 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.697600 -6.629900 12.734800 1XA 0 0.15000 0.15000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.491500 -5.283200 13.815100 1XA 0 0.15000 0.15000 UNCH H2 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.913500 -3.281300 15.159100 1XA 0 0.15000 0.15000 UNCH H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.552900 -2.595600 15.444900 1XA 0 0.15000 0.15000 UNCH H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.209900 -1.955100 14.607400 1XA 0 0.00000 0.00000 UNCH H11 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.091400 -2.975300 16.075899 1XA 0 0.00000 0.00000 UNCH H22 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -5.738400 -2.897800 14.927100 1XA 0 0.00000 0.00000 UNCH H33 18
16 [COSSEI,16,16,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -11.311800 -6.039600 15.836400 1XA 0 -0.75000 -0.75000 CHGB S1 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -10.951100 -4.061900 18.048100 1XA 0 -0.75000 -0.75000 CHGB S2 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -10.738100 -4.571200 16.440599 1XA 0 0.79600 0.79600 CHGB C1 3
25 3 1 6 1 5 1 0 0 0 0 0 0 -10.089300 -3.661400 15.716000 1XA 0 -0.96610 -0.96610 CHGB N1 4
3 4 1 9 1 8 1 7 1 0 0 0 0 -9.549100 -3.846500 14.375700 1XA 0 0.30010 0.30010 CHGB C2 5
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.753300 -2.838900 16.197001 1XA 0 0.37000 0.37000 CHGB H1 6
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.389900 -2.835900 13.983700 1XA 0 0.00000 0.00000 CHGB H21 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.302800 -4.300100 13.722600 1XA 0 0.00000 0.00000 CHGB H22 8
3 5 1 12 1 11 1 10 1 0 0 0 0 -8.218900 -4.620900 14.334300 1XA 0 0.30010 0.30010 CHGB C2A 9
25 9 1 14 1 13 1 0 0 0 0 0 0 -7.678700 -4.806000 12.994000 1XA 0 -0.96610 -0.96610 CHGB N1A 10
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.378100 -5.631500 14.726300 1XA 0 0.00000 0.00000 CHGB H21A 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.465200 -4.167300 14.987400 1XA 0 0.00000 0.00000 CHGB H22A 12
2 10 1 16 1 15 2 0 0 0 0 0 0 -7.029900 -3.896200 12.269400 1XA 0 0.79600 0.79600 CHGB C1A 13
43 10 1 0 0 0 0 0 0 0 0 0 0 -8.014700 -5.628500 12.513000 1XA 0 0.37000 0.37000 CHGB H1A 14
49 13 2 0 0 0 0 0 0 0 0 0 0 -6.456200 -2.427800 12.873600 1XA 0 -0.75000 -0.75000 CHGB S1A 15
51 13 1 0 0 0 0 0 0 0 0 0 0 -6.816900 -4.405500 10.661900 1XA 0 -0.75000 -0.75000 CHGB S2A 16
24 [COSWIQ,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 8 1 2 2 0 0 0 0 0 0 0 0 -8.689100 -4.162800 14.927900 1XA 0 -0.62100 -0.62100 COSW N1 1
2 1 2 9 1 3 1 0 0 0 0 0 0 -9.966200 -4.170900 15.083900 1XA 0 0.58560 0.58560 COSW C2 2
2 2 1 15 1 4 2 0 0 0 0 0 0 -10.940600 -3.085500 15.326100 1XA 0 -0.13560 -0.13560 COSW C3 3
2 3 2 16 1 5 1 0 0 0 0 0 0 -11.133900 -2.092900 14.444300 1XA 0 -0.15000 -0.15000 COSW C4 4
2 4 1 11 1 6 2 0 0 0 0 0 0 -10.416800 -1.901600 13.191800 1XA 0 0.06500 0.06500 COSW C5 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.074200 -1.832400 13.097900 1XA 0 -0.15000 -0.15000 COSW C6 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.141100 -1.930700 14.203300 1XA 0 -0.15000 -0.15000 COSW C7 7
2 1 1 7 2 13 1 0 0 0 0 0 0 -8.009300 -2.976600 15.041700 1XA 0 0.17100 0.17100 COSW C8 8
16 2 1 10 1 0 0 0 0 0 0 0 0 -10.695000 -5.320500 15.046800 1XA 0 -0.43000 -0.43000 COSW O9 9
3 9 1 21 1 20 1 19 1 0 0 0 0 -9.959900 -6.521900 14.790200 1XA 0 0.28000 0.28000 COSW C10 10
1 5 1 12 3 0 0 0 0 0 0 0 0 -11.208000 -1.688800 12.018000 1XA 0 0.49210 0.49210 COSW C11 11
24 11 3 0 0 0 0 0 0 0 0 0 0 -11.849400 -1.500300 11.069200 1XA 0 -0.55710 -0.55710 COSW N12 12
2 8 1 22 1 14 2 0 0 0 0 0 0 -7.004900 -2.935200 16.098801 1XA 0 -0.15000 -0.15000 COSW C13 13
2 13 2 24 1 23 1 0 0 0 0 0 0 -6.750500 -3.911500 16.982100 1XA 0 -0.30000 -0.30000 COSW C14 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.550900 -3.182700 16.215799 1XA 0 0.15000 0.15000 COSW H3 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -11.923600 -1.370900 14.647500 1XA 0 0.15000 0.15000 COSW H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.607900 -1.623800 12.135100 1XA 0 0.15000 0.15000 COSW H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.489100 -1.066200 14.311900 1XA 0 0.15000 0.15000 COSW H7 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.670200 -7.353100 14.773100 1XA 0 0.00000 0.00000 COSW H101 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.233900 -6.704500 15.588500 1XA 0 0.00000 0.00000 COSW H102 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.466700 -6.469500 13.814600 1XA 0 0.00000 0.00000 COSW H103 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.412700 -2.025100 16.171700 1XA 0 0.15000 0.15000 COSW H13 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.293800 -4.851200 16.970501 1XA 0 0.15000 0.15000 COSW H1 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.979300 -3.790500 17.735201 1XA 0 0.15000 0.15000 COSW H2 24
20 [COTMON,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
26 2 1 13 1 14 1 0 0 0 0 0 0 -7.241300 -4.935700 17.608500 1XA 0 -0.72900 -0.72900 UNCH N1 1
25 1 1 3 1 15 1 0 0 0 0 0 0 -7.460700 -3.568500 17.334200 1XA 0 -0.42100 -0.42100 UNCH N2 2
2 2 1 4 1 12 2 0 0 0 0 0 0 -8.082500 -3.146900 16.160801 1XA 0 0.50000 0.50000 UNCH C3 3
25 3 1 5 1 16 1 0 0 0 0 0 0 -8.427300 -4.211100 15.361300 1XA 0 -0.54700 -0.54700 UNCH N4 4
2 4 1 6 2 10 1 0 0 0 0 0 0 -9.055000 -4.349800 14.111900 1XA 0 0.11700 0.11700 UNCH C5 5
2 5 2 7 1 17 1 0 0 0 0 0 0 -9.216000 -5.664000 13.644700 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 6 1 8 2 18 1 0 0 0 0 0 0 -9.827100 -5.924700 12.414000 1XA 0 -0.15000 -0.15000 UNCH C7 7
2 7 2 9 1 11 1 0 0 0 0 0 0 -10.284400 -4.867200 11.636800 1XA 0 0.17700 0.17700 UNCH C8 8
2 8 1 10 2 19 1 0 0 0 0 0 0 -10.133600 -3.558500 12.083400 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 5 1 9 2 20 1 0 0 0 0 0 0 -9.520500 -3.302100 13.317600 1XA 0 -0.15000 -0.15000 UNCH C10 10
57 8 1 0 0 0 0 0 0 0 0 0 0 -11.037100 -5.177500 10.122300 1XA 0 -0.17700 -0.17700 UNCH CL1 11
49 3 2 0 0 0 0 0 0 0 0 0 0 -8.284800 -1.508800 15.951500 1XA 0 -0.38000 -0.38000 UNCH S1 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.691100 -5.155800 18.502300 1XA 0 0.36000 0.36000 UNCH H11 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.237300 -5.070800 17.762400 1XA 0 0.36000 0.36000 UNCH H21 14
43 2 1 0 0 0 0 0 0 0 0 0 0 -7.171100 -2.839500 17.987000 1XA 0 0.37000 0.37000 UNCH H2 15
43 4 1 0 0 0 0 0 0 0 0 0 0 -8.139600 -5.068800 15.827900 1XA 0 0.37000 0.37000 UNCH H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.865600 -6.506800 14.236400 1XA 0 0.15000 0.15000 UNCH H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.940400 -6.950100 12.073600 1XA 0 0.15000 0.15000 UNCH H7 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.488800 -2.726300 11.481000 1XA 0 0.15000 0.15000 UNCH H9 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.430200 -2.265600 13.614100 1XA 0 0.15000 0.15000 UNCH H10 20
15 [COTPEG,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 6 2 0 0 0 0 0 0 0 0 0 0 -0.116000 0.690800 9.640500 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 6 1 0 0 0 0 0 0 0 0 0 0 0.944500 2.410400 10.684000 1XA 0 -0.90000 -0.90000 CHGB O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 -0.908900 -0.166000 12.097300 1XA 0 -0.57000 -0.57000 CHGB O3 3
15 10 2 0 0 0 0 0 0 0 0 0 0 0.747800 2.797200 15.818000 1XA 0 -0.57000 -0.57000 CHGB O4 4
16 10 1 11 1 0 0 0 0 0 0 0 0 -0.401000 1.226300 16.890499 1XA 0 -0.65000 -0.65000 CHGB O5 5
2 1 2 2 1 7 1 0 0 0 0 0 0 0.236800 1.352600 10.665800 1XA 0 0.94700 0.94700 CHGB C1 6
2 3 2 6 1 8 1 0 0 0 0 0 0 -0.219800 0.854300 12.043500 1XA 0 0.36200 0.36200 CHGB C2 7
3 7 1 9 1 12 1 13 1 0 0 0 0 0.201800 1.644300 13.260300 1XA 0 0.06100 0.06100 CHGB C3 8
3 8 1 10 1 14 1 15 1 0 0 0 0 -0.335900 1.011600 14.536700 1XA 0 0.06100 0.06100 CHGB C4 9
2 4 2 5 1 9 1 0 0 0 0 0 0 0.073700 1.783800 15.756000 1XA 0 0.65900 0.65900 CHGB C5 10
42 5 1 0 0 0 0 0 0 0 0 0 0 -0.062400 1.823600 17.588200 1XA 0 0.50000 0.50000 CHGB H5 11
41 8 1 0 0 0 0 0 0 0 0 0 0 1.296600 1.680200 13.290600 1XA 0 0.00000 0.00000 CHGB H31 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.176100 2.667900 13.159700 1XA 0 0.00000 0.00000 CHGB H32 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.431000 0.976800 14.505500 1XA 0 0.00000 0.00000 CHGB H41 14
41 9 1 0 0 0 0 0 0 0 0 0 0 0.043400 -0.012000 14.636500 1XA 0 0.00000 0.00000 CHGB H42 15
25 [COTRIM,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
18 3 1 0 0 0 0 0 0 0 0 0 0 -8.052500 -4.745100 8.696200 1XA 0 -0.75000 -0.75000 COTR O11 1
18 4 1 0 0 0 0 0 0 0 0 0 0 -10.621800 -3.592800 14.276500 1XA 0 -0.63300 -0.63300 COTR O21 2
31 1 1 10 2 6 1 0 0 0 0 0 0 -8.363400 -4.572400 9.911400 1XA 0 0.57100 0.57100 COTR N11 3
31 2 1 8 1 5 2 0 0 0 0 0 0 -9.432100 -3.983100 14.019500 1XA 0 0.86800 0.86800 COTR N21 4
25 4 2 11 1 0 0 0 0 0 0 0 0 -8.525400 -4.215100 14.884700 1XA 0 -0.38600 -0.38600 COTR N31 5
2 3 1 17 1 7 2 0 0 0 0 0 0 -9.632400 -4.151100 10.267500 1XA 0 -0.06050 -0.06050 COTR C21 6
2 6 2 18 1 8 1 0 0 0 0 0 0 -9.989500 -3.956500 11.602800 1XA 0 -0.15000 -0.15000 COTR C31 7
2 4 1 7 1 9 2 0 0 0 0 0 0 -9.047700 -4.190800 12.611200 1XA 0 -0.02800 -0.02800 COTR C41 8
2 8 2 19 1 10 1 0 0 0 0 0 0 -7.760600 -4.617200 12.264500 1XA 0 -0.15000 -0.15000 COTR C51 9
2 3 2 9 1 20 1 0 0 0 0 0 0 -7.439800 -4.801100 10.917900 1XA 0 -0.06050 -0.06050 COTR C61 10
2 5 1 16 1 12 2 0 0 0 0 0 0 -8.851000 -4.029300 16.237200 1XA 0 0.17900 0.17900 COTR C71 11
2 11 2 21 1 13 1 0 0 0 0 0 0 -8.621800 -2.796300 16.856899 1XA 0 -0.15000 -0.15000 COTR C81 12
2 12 1 22 1 14 2 0 0 0 0 0 0 -8.907000 -2.622200 18.212799 1XA 0 -0.15000 -0.15000 COTR C91 13
2 13 2 23 1 15 1 0 0 0 0 0 0 -9.413000 -3.684800 18.959999 1XA 0 -0.15000 -0.15000 COTR C101 14
2 14 1 24 1 16 2 0 0 0 0 0 0 -9.630600 -4.921400 18.354401 1XA 0 -0.15000 -0.15000 COTR C111 15
2 11 1 15 2 25 1 0 0 0 0 0 0 -9.344800 -5.094000 16.998501 1XA 0 -0.15000 -0.15000 COTR C121 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.286500 -3.997300 9.422600 1XA 0 0.15000 0.15000 COTR H21 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.998600 -3.624300 11.840100 1XA 0 0.15000 0.15000 COTR H31 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.998000 -4.810900 13.015100 1XA 0 0.15000 0.15000 COTR H51 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.478600 -5.126300 10.548700 1XA 0 0.15000 0.15000 COTR H61 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.224700 -1.964200 16.282101 1XA 0 0.15000 0.15000 COTR H81 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.735600 -1.658100 18.684799 1XA 0 0.15000 0.15000 COTR H91 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.637800 -3.549000 20.015200 1XA 0 0.15000 0.15000 COTR H101 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.023500 -5.750800 18.936899 1XA 0 0.15000 0.15000 COTR H111 24
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.514200 -6.061800 16.534500 1XA 0 0.15000 0.15000 COTR H121 25
17 [COVHUQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 4 1 7 1 8 1 9 1 0 0 0 0 -9.963300 -2.655400 19.029900 1XA 0 0.23000 0.23000 UNCH C1 1
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.996700 -3.995200 16.876301 1XA 0 0.85200 0.85200 UNCH C3 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.020700 -4.641800 17.047501 1XA 0 -0.57000 -0.57000 UNCH O3 3
49 1 1 2 1 0 0 0 0 0 0 0 0 -8.552100 -2.640300 17.904900 1XA 0 -0.37100 -0.37100 UNCH S2 4
49 2 1 6 1 0 0 0 0 0 0 0 0 -7.825300 -4.319600 15.604700 1XA 0 -0.14100 -0.14100 UNCH S4 5
49 5 1 10 1 0 0 0 0 0 0 0 0 -8.852300 -5.589800 14.358600 1XA 0 0.00000 0.00000 UNCH S5 6
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41 1 1 0 0 0 0 0 0 0 0 0 0 -10.895400 -2.493400 18.481701 1XA 0 0.00000 0.00000 UNCH H12 8
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49 6 1 11 1 0 0 0 0 0 0 0 0 -9.915500 -4.361200 13.101300 1XA 0 -0.14100 -0.14100 UNCH S4B 10
2 10 1 12 2 13 1 0 0 0 0 0 0 -8.753900 -4.014600 11.826600 1XA 0 0.85200 0.85200 UNCH C3B 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -7.711500 -4.632800 11.661100 1XA 0 -0.57000 -0.57000 UNCH O3B 12
49 11 1 14 1 0 0 0 0 0 0 0 0 -9.237400 -2.682600 10.785800 1XA 0 -0.37100 -0.37100 UNCH S2B 13
3 13 1 15 1 16 1 17 1 0 0 0 0 -7.826200 -2.667000 9.660700 1XA 0 0.23000 0.23000 UNCH C1B 14
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.963800 -1.872300 8.922600 1XA 0 0.00000 0.00000 UNCH H11B 15
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.899200 -2.473100 10.207400 1XA 0 0.00000 0.00000 UNCH H12B 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.745100 -3.619800 9.130400 1XA 0 0.00000 0.00000 UNCH H13B 17
32 [COVMAB,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 3 1 0 0 0 0 0 0 0 0 -8.166500 -3.074800 13.231100 1XA 0 -0.69600 -0.69600 UNCH N2 1
2 1 2 7 1 17 1 0 0 0 0 0 0 -8.226400 -4.065800 14.043200 1XA 0 0.39000 0.39000 UNCH C1 2
3 1 1 4 1 5 1 6 1 0 0 0 0 -6.860500 -2.756200 12.623900 1XA 0 0.24600 0.24600 UNCH C3 3
3 3 1 8 1 9 1 10 1 0 0 0 0 -6.357500 -3.924700 11.767400 1XA 0 0.00000 0.00000 UNCH C4 4
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41 2 1 0 0 0 0 0 0 0 0 0 0 -7.386500 -4.715100 14.338800 1XA 0 0.06000 0.06000 UNCH H11 7
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41 5 1 0 0 0 0 0 0 0 0 0 0 -6.220800 -1.569100 14.339600 1XA 0 0.00000 0.00000 UNCH H51 11
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2 2 1 18 2 19 1 0 0 0 0 0 0 -9.541600 -4.401600 14.666800 1XA 0 0.39000 0.39000 UNCH C1B 17
25 17 2 20 1 0 0 0 0 0 0 0 0 -9.601500 -5.392600 15.478800 1XA 0 -0.69600 -0.69600 UNCH N2B 18
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.381500 -3.752300 14.371200 1XA 0 0.06000 0.06000 UNCH H11B 19
3 18 1 21 1 22 1 23 1 0 0 0 0 -10.907500 -5.711200 16.086100 1XA 0 0.24600 0.24600 UNCH C3B 20
3 20 1 24 1 25 1 26 1 0 0 0 0 -11.410500 -4.542700 16.942600 1XA 0 0.00000 0.00000 UNCH C4B 21
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41 21 1 0 0 0 0 0 0 0 0 0 0 -11.643800 -3.662200 16.334600 1XA 0 0.00000 0.00000 UNCH H41B 24
41 21 1 0 0 0 0 0 0 0 0 0 0 -12.322600 -4.815800 17.485001 1XA 0 0.00000 0.00000 UNCH H42B 25
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41 22 1 0 0 0 0 0 0 0 0 0 0 -12.175200 -5.248600 14.359500 1XA 0 0.00000 0.00000 UNCH H52B 28
41 22 1 0 0 0 0 0 0 0 0 0 0 -12.867000 -6.440700 15.461800 1XA 0 0.00000 0.00000 UNCH H53B 29
41 23 1 0 0 0 0 0 0 0 0 0 0 -11.588100 -7.240500 17.497499 1XA 0 0.00000 0.00000 UNCH H61B 30
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33 [COVXIU,33,33,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 7 1 0 0 0 0 0 0 -10.815800 -4.041500 17.646000 1XA 0 0.10000 0.10000 COVX C1 1
2 1 2 3 1 20 1 0 0 0 0 0 0 -9.790100 -3.193800 17.214500 1XA 0 -0.15000 -0.15000 COVX C2 2
2 2 1 4 2 21 1 0 0 0 0 0 0 -9.749500 -2.734300 15.895400 1XA 0 -0.15000 -0.15000 COVX C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -10.714900 -3.170100 14.986900 1XA 0 -0.00900 -0.00900 COVX C4 4
2 4 1 6 2 22 1 0 0 0 0 0 0 -11.718600 -4.054000 15.388900 1XA 0 -0.15000 -0.15000 COVX C5 5
2 1 1 5 2 23 1 0 0 0 0 0 0 -11.747800 -4.504900 16.711201 1XA 0 -0.15000 -0.15000 COVX C6 6
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49 4 1 9 2 10 2 11 1 0 0 0 0 -10.697900 -2.576700 13.313400 1XA 0 1.44700 1.44700 COVX S8 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -12.076600 -2.278300 12.974600 1XA 0 -0.65000 -0.65000 COVX O9 9
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.683500 -1.552800 13.175500 1XA 0 -0.65000 -0.65000 COVX O10 10
201 8 1 12 1 26 1 0 0 0 0 0 0 -10.289700 -3.911800 12.416400 1XA 0 -0.75700 -0.75700 COVX N11 11
2 11 1 13 2 17 1 0 0 0 0 0 0 -8.943700 -4.244800 12.339400 1XA 0 0.81900 0.81900 COVX C12 12
25 12 2 14 1 0 0 0 0 0 0 0 0 -8.593200 -4.750600 11.153700 1XA 0 -0.62000 -0.62000 COVX N13 13
2 13 1 15 2 18 1 0 0 0 0 0 0 -7.335600 -5.227700 11.066800 1XA 0 0.16650 0.16650 COVX C14 14
2 14 2 16 1 27 1 0 0 0 0 0 0 -6.472000 -5.238300 12.146900 1XA 0 -0.15000 -0.15000 COVX C15 15
2 15 1 17 2 19 1 0 0 0 0 0 0 -6.962600 -4.738700 13.338800 1XA 0 0.16650 0.16650 COVX C16 16
25 12 1 16 2 0 0 0 0 0 0 0 0 -8.213700 -4.255200 13.453900 1XA 0 -0.62000 -0.62000 COVX N17 17
3 14 1 28 1 29 1 30 1 0 0 0 0 -6.892700 -5.768700 9.740700 1XA 0 0.14350 0.14350 COVX C18 18
3 16 1 31 1 32 1 33 1 0 0 0 0 -6.105900 -4.730600 14.568400 1XA 0 0.14350 0.14350 COVX C19 19
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.011700 -2.880800 17.905399 1XA 0 0.15000 0.15000 COVX H2 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.954400 -2.062300 15.581400 1XA 0 0.15000 0.15000 COVX H3 21
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.467500 -4.401300 14.681600 1XA 0 0.15000 0.15000 COVX H5 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -12.510500 -5.220200 17.007999 1XA 0 0.15000 0.15000 COVX H6 23
43 7 1 0 0 0 0 0 0 0 0 0 0 -10.315500 -3.997200 19.616501 1XA 0 0.40000 0.40000 COVX H71 24
43 7 1 0 0 0 0 0 0 0 0 0 0 -11.683600 -4.916200 19.264000 1XA 0 0.40000 0.40000 COVX H72 25
45 11 1 0 0 0 0 0 0 0 0 0 0 -10.767400 -3.969700 11.525600 1XA 0 0.42000 0.42000 COVX H11 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.464500 -5.627400 12.066000 1XA 0 0.15000 0.15000 COVX H15 27
41 18 1 0 0 0 0 0 0 0 0 0 0 -7.689500 -5.675300 8.995800 1XA 0 0.00000 0.00000 COVX H181 28
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.633800 -6.828100 9.832000 1XA 0 0.00000 0.00000 COVX H182 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.021100 -5.214900 9.378100 1XA 0 0.00000 0.00000 COVX H183 30
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.820800 -5.752500 14.837200 1XA 0 0.00000 0.00000 COVX H191 31
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.643600 -4.292700 15.415700 1XA 0 0.00000 0.00000 COVX H192 32
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.202100 -4.138000 14.396100 1XA 0 0.00000 0.00000 COVX H193 33
32 [COWTIR,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 2 1 3 1 4 1 7 1 0 0 0 0 -6.848400 -5.810900 14.413300 1XA 0 1.17120 1.17120 UNCH P1 1
16 1 1 17 1 0 0 0 0 0 0 0 0 -6.173200 -4.585700 13.593500 1XA 0 -0.77120 -0.77120 UNCH O1 2
18 1 1 0 0 0 0 0 0 0 0 0 0 -6.692200 -7.057800 13.607500 1XA 0 -0.95000 -0.95000 UNCH O2 3
18 1 1 0 0 0 0 0 0 0 0 0 0 -6.388000 -5.628200 15.842800 1XA 0 -0.95000 -0.95000 UNCH O3 4
16 12 1 28 1 0 0 0 0 0 0 0 0 -7.915500 -2.691700 13.606600 1XA 0 -0.53250 -0.53250 UNCH O12 5
32 7 1 8 1 19 1 20 1 0 0 0 0 -8.781600 -4.356900 15.797000 1XA 0 -0.90600 -0.90600 UNCH N1 6
3 1 1 6 1 11 1 18 1 0 0 0 0 -8.692600 -5.264600 14.558200 1XA 0 0.64650 0.64650 UNCH C1 7
3 6 1 9 1 10 1 21 1 0 0 0 0 -10.037400 -4.332000 16.561199 1XA 0 0.50300 0.50300 UNCH C2 8
3 8 1 22 1 23 1 24 1 0 0 0 0 -10.042000 -3.071900 17.418800 1XA 0 0.00000 0.00000 UNCH C3 9
3 8 1 25 1 26 1 27 1 0 0 0 0 -10.145100 -5.580600 17.427401 1XA 0 0.00000 0.00000 UNCH C4 10
2 7 1 12 2 16 1 0 0 0 0 0 0 -9.298200 -4.624100 13.336800 1XA 0 -0.14350 -0.14350 UNCH C11 11
2 5 1 11 2 13 1 0 0 0 0 0 0 -8.902300 -3.348200 12.924500 1XA 0 0.08250 0.08250 UNCH C12 12
2 12 1 14 2 29 1 0 0 0 0 0 0 -9.493000 -2.711400 11.840800 1XA 0 -0.15000 -0.15000 UNCH C13 13
2 13 2 15 1 30 1 0 0 0 0 0 0 -10.487400 -3.371300 11.122600 1XA 0 -0.15000 -0.15000 UNCH C14 14
2 14 1 16 2 31 1 0 0 0 0 0 0 -10.881200 -4.656800 11.495900 1XA 0 -0.15000 -0.15000 UNCH C15 15
2 11 1 15 2 32 1 0 0 0 0 0 0 -10.291600 -5.281500 12.598200 1XA 0 -0.15000 -0.15000 UNCH C16 16
42 2 1 0 0 0 0 0 0 0 0 0 0 -5.234300 -4.845800 13.474100 1XA 0 0.50000 0.50000 UNCH H1 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.208200 -6.192800 14.825100 1XA 0 0.00000 0.00000 UNCH H2 18
44 6 1 0 0 0 0 0 0 0 0 0 0 -8.473000 -3.432100 15.462000 1XA 0 0.45000 0.45000 UNCH H3 19
44 6 1 0 0 0 0 0 0 0 0 0 0 -7.950500 -4.699000 16.345600 1XA 0 0.45000 0.45000 UNCH H4 20
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41 10 1 0 0 0 0 0 0 0 0 0 0 -9.293900 -5.669500 18.111601 1XA 0 0.00000 0.00000 UNCH H11 27
42 5 1 0 0 0 0 0 0 0 0 0 0 -7.086400 -3.209200 13.427100 1XA 0 0.45000 0.45000 UNCH H12 28
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.172700 -1.716000 11.546600 1XA 0 0.15000 0.15000 UNCH H13 29
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.946700 -2.889600 10.262800 1XA 0 0.15000 0.15000 UNCH H14 30
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.645400 -5.176300 10.921700 1XA 0 0.15000 0.15000 UNCH H15 31
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23 [COXBAS,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 8 1 7 1 6 1 5 2 0 0 0 0 -9.081600 -4.931600 14.083300 1XA 0 1.24240 1.24240 COXB P1 1
49 9 1 8 1 0 0 0 0 0 0 0 0 -7.144200 -3.636400 15.966000 1XA 0 -0.46000 -0.46000 COXB S1 2
49 10 1 9 1 0 0 0 0 0 0 0 0 -8.817800 -1.162000 16.161100 1XA 0 -0.46000 -0.46000 COXB S2 3
49 10 1 8 1 0 0 0 0 0 0 0 0 -8.046600 -2.191100 13.451700 1XA 0 -0.46000 -0.46000 COXB S3 4
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.387100 -4.538600 14.714800 1XA 0 -0.70000 -0.70000 COXB O1 5
16 1 1 11 1 0 0 0 0 0 0 0 0 -9.221300 -5.183700 12.489300 1XA 0 -0.55120 -0.55120 COXB O2 6
16 1 1 12 1 0 0 0 0 0 0 0 0 -8.564500 -6.371500 14.611700 1XA 0 -0.55120 -0.55120 COXB O3 7
3 1 1 2 1 4 1 13 1 0 0 0 0 -7.718900 -3.774500 14.259100 1XA 0 0.46000 0.46000 COXB C1 8
3 2 1 3 1 15 1 14 1 0 0 0 0 -8.565900 -2.844800 16.747700 1XA 0 0.46000 0.46000 COXB C2 9
3 3 1 4 1 23 1 16 1 0 0 0 0 -9.368900 -1.530600 14.488000 1XA 0 0.46000 0.46000 COXB C3 10
3 6 1 19 1 18 1 17 1 0 0 0 0 -10.373800 -5.879100 12.053100 1XA 0 0.28000 0.28000 COXB C4 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -7.389000 -6.947000 14.078800 1XA 0 0.28000 0.28000 COXB C5 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.877800 -4.199600 13.703900 1XA 0 0.00000 0.00000 COXB H1 13
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41 10 1 0 0 0 0 0 0 0 0 0 0 -10.259300 -2.159700 14.485200 1XA 0 0.00000 0.00000 COXB H32 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.264500 -6.104800 10.989400 1XA 0 0.00000 0.00000 COXB H41 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.260300 -5.255000 12.193100 1XA 0 0.00000 0.00000 COXB H42 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.485800 -6.816800 12.604300 1XA 0 0.00000 0.00000 COXB H43 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.392400 -8.016200 14.305600 1XA 0 0.00000 0.00000 COXB H51 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.508900 -6.496200 14.543000 1XA 0 0.00000 0.00000 COXB H52 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.341500 -6.821100 12.994500 1XA 0 0.00000 0.00000 COXB H53 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.673600 -0.580500 14.038300 1XA 0 0.00000 0.00000 COXB H2 23
15 [COXZEU,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 8 1 7 1 0 0 0 0 0 0 0 0 -8.696600 -6.005200 13.021900 1XA 0 -0.37100 -0.37100 COXZ S1 1
49 7 2 0 0 0 0 0 0 0 0 0 0 -6.646400 -5.978100 15.187300 1XA 0 -0.38000 -0.38000 COXZ S2 2
25 7 1 6 2 0 0 0 0 0 0 0 0 -8.559400 -4.091700 14.910500 1XA 0 -0.66100 -0.66100 COXZ N1 3
25 14 1 12 1 6 1 0 0 0 0 0 0 -7.402300 -2.728400 13.314200 1XA 0 -0.85000 -0.85000 COXZ N2 4
25 15 1 13 1 6 1 0 0 0 0 0 0 -8.777900 -1.820100 14.789000 1XA 0 -0.85000 -0.85000 COXZ N3 5
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.241400 -2.979900 14.345400 1XA 0 0.55000 0.55000 COXZ C1 6
2 1 1 2 2 3 1 0 0 0 0 0 0 -7.973000 -5.244600 14.454400 1XA 0 0.73200 0.73200 COXZ C2 7
3 1 1 11 1 10 1 9 1 0 0 0 0 -10.437500 -5.886400 13.487800 1XA 0 0.23000 0.23000 COXZ C3 8
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.603100 -6.325700 14.475300 1XA 0 0.00000 0.00000 COXZ H1 9
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.041200 -6.434700 12.759600 1XA 0 0.00000 0.00000 COXZ H2 10
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.768900 -4.844700 13.491800 1XA 0 0.00000 0.00000 COXZ H3 11
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.132400 -3.534600 12.760000 1XA 0 0.40000 0.40000 COXZ H4 12
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.083900 -1.087900 14.890300 1XA 0 0.40000 0.40000 COXZ H5 13
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.725300 -1.975200 12.716400 1XA 0 0.40000 0.40000 COXZ H6 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.263100 -1.965800 15.670000 1XA 0 0.40000 0.40000 COXZ H7 15
26 [COYMOS,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 6 2 0 0 0 0 0 0 0 0 0 0 -8.299300 -7.239100 15.037400 1XA 0 -0.57000 -0.57000 COYK O1 1
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25 6 1 16 1 17 1 0 0 0 0 0 0 -7.664200 -6.296600 13.076800 1XA 0 -0.80000 -0.80000 COYK N1 3
25 7 1 18 1 19 1 0 0 0 0 0 0 -11.148800 -5.161300 12.075400 1XA 0 -0.80000 -0.80000 COYK N2 4
25 8 1 9 1 10 1 0 0 0 0 0 0 -9.785100 -4.222300 14.323900 1XA 0 -0.43800 -0.43800 COYK N3 5
2 1 2 3 1 9 1 0 0 0 0 0 0 -8.551400 -6.489600 14.100900 1XA 0 0.63000 0.63000 COYK C1 6
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3 5 1 9 1 20 1 21 1 0 0 0 0 -10.362100 -5.114800 15.321200 1XA 0 -0.03100 -0.03100 COYK C3 8
3 5 1 6 1 7 1 8 1 0 0 0 0 -9.817600 -5.701200 14.036000 1XA 0 0.16900 0.16900 COYK C4 9
2 5 1 11 2 15 1 0 0 0 0 0 0 -8.567000 -3.540000 14.573000 1XA 0 0.10000 0.10000 COYK C5 10
2 10 2 12 1 22 1 0 0 0 0 0 0 -8.330600 -2.388300 13.803000 1XA 0 -0.15000 -0.15000 COYK C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -7.164600 -1.634000 13.957400 1XA 0 -0.15000 -0.15000 COYK C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -6.211200 -2.016800 14.894600 1XA 0 -0.15000 -0.15000 COYK C8 13
2 13 1 15 2 25 1 0 0 0 0 0 0 -6.428900 -3.147400 15.676600 1XA 0 -0.15000 -0.15000 COYK C9 14
2 10 1 14 2 26 1 0 0 0 0 0 0 -7.598800 -3.899700 15.520200 1XA 0 -0.15000 -0.15000 COYK C10 15
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.747000 -6.708100 13.186000 1XA 0 0.37000 0.37000 COYK H11 16
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.761100 -5.509700 12.449300 1XA 0 0.37000 0.37000 COYK H21 17
43 4 1 0 0 0 0 0 0 0 0 0 0 -10.902600 -4.197300 12.266400 1XA 0 0.37000 0.37000 COYK H12 18
43 4 1 0 0 0 0 0 0 0 0 0 0 -11.955600 -5.348800 11.495500 1XA 0 0.37000 0.37000 COYK H22 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.433900 -5.004900 15.426500 1XA 0 0.10000 0.10000 COYK H13 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.824400 -5.267900 16.245001 1XA 0 0.10000 0.10000 COYK H23 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.070300 -2.068300 13.072600 1XA 0 0.15000 0.15000 COYK H6 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.006700 -0.746400 13.350300 1XA 0 0.15000 0.15000 COYK H7 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.303600 -1.432400 15.021500 1XA 0 0.15000 0.15000 COYK H8 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.689700 -3.448000 16.415400 1XA 0 0.15000 0.15000 COYK H9 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.720100 -4.772000 16.156601 1XA 0 0.15000 0.15000 COYK H10 26
18 [COYNAF,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
26 2 1 13 1 14 1 0 0 0 0 0 0 -7.218700 -1.610300 15.181800 1XA 0 -0.72900 -0.72900 UNCH N2 1
25 1 1 5 1 12 1 0 0 0 0 0 0 -7.888000 -2.793200 14.840200 1XA 0 -0.11100 -0.11100 UNCH N1 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.719100 -2.666600 16.306700 1XA 0 -0.57000 -0.57000 UNCH O1 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.336400 -3.724000 13.341400 1XA 0 -0.57000 -0.57000 UNCH O2 4
2 2 1 3 2 6 1 0 0 0 0 0 0 -9.069800 -3.191700 15.421300 1XA 0 0.54380 0.54380 UNCH C1 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -9.406800 -4.467300 14.785600 1XA 0 0.08620 0.08620 UNCH C2 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -10.497700 -5.293400 14.973800 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 16 1 0 0 0 0 0 0 -10.543000 -6.472400 14.222800 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.510100 -6.795300 13.317400 1XA 0 -0.15000 -0.15000 UNCH C5 9
2 9 1 11 2 18 1 0 0 0 0 0 0 -8.412800 -5.945100 13.146200 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 6 1 10 2 12 1 0 0 0 0 0 0 -8.391100 -4.784700 13.895300 1XA 0 0.08620 0.08620 UNCH C7 11
2 2 1 4 2 11 1 0 0 0 0 0 0 -7.390800 -3.716500 13.949400 1XA 0 0.54380 0.54380 UNCH C8 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.214900 -1.792500 15.111800 1XA 0 0.36000 0.36000 UNCH H5 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.417500 -1.416500 16.166000 1XA 0 0.36000 0.36000 UNCH H6 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.284300 -5.035500 15.675900 1XA 0 0.15000 0.15000 UNCH H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.385500 -7.152600 14.337900 1XA 0 0.15000 0.15000 UNCH H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.569500 -7.720300 12.745900 1XA 0 0.15000 0.15000 UNCH H3 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.610400 -6.183900 12.455400 1XA 0 0.15000 0.15000 UNCH H4 18
27 [COYVIV,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 5 1 0 0 0 0 0 0 0 0 -10.096700 -4.946200 16.705500 1XA 0 -0.08000 -0.08000 UNCH S11 1
2 1 1 3 2 12 1 0 0 0 0 0 0 -10.771300 -3.366100 16.748100 1XA 0 0.46210 0.46210 UNCH C21 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -10.008900 -2.447200 16.197500 1XA 0 -0.33810 -0.33810 UNCH N31 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.834900 -2.966700 15.696700 1XA 0 -0.33810 -0.33810 UNCH N41 4
2 1 1 4 2 6 1 0 0 0 0 0 0 -8.754400 -4.269300 15.877600 1XA 0 0.32510 0.32510 UNCH C51 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -7.653500 -5.104500 15.404500 1XA 0 0.05300 0.05300 UNCH C61 6
2 6 2 8 1 20 1 0 0 0 0 0 0 -6.835200 -5.756200 16.345100 1XA 0 -0.15000 -0.15000 UNCH C71 7
2 7 1 9 2 21 1 0 0 0 0 0 0 -5.743600 -6.526800 15.936500 1XA 0 -0.15000 -0.15000 UNCH C81 8
2 8 2 10 1 22 1 0 0 0 0 0 0 -5.448500 -6.657000 14.582300 1XA 0 -0.15000 -0.15000 UNCH C91 9
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2 6 1 10 2 13 1 0 0 0 0 0 0 -7.338100 -5.239400 14.040700 1XA 0 -0.00900 -0.00900 UNCH C111 11
25 2 1 18 1 19 1 0 0 0 0 0 0 -11.980000 -3.129800 17.295300 1XA 0 -0.88400 -0.88400 UNCH N121 12
49 11 1 14 2 15 2 16 1 0 0 0 0 -8.362700 -4.501700 12.781300 1XA 0 1.44700 1.44700 UNCH S131 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -9.737600 -4.801800 13.112700 1XA 0 -0.65000 -0.65000 UNCH O141 14
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25 13 1 17 1 24 1 0 0 0 0 0 0 -8.122100 -2.852800 12.986000 1XA 0 -0.91370 -0.91370 UNCH N161 16
3 16 1 25 1 26 1 27 1 0 0 0 0 -6.778000 -2.310900 12.823100 1XA 0 0.35570 0.35570 UNCH C171 17
43 12 1 0 0 0 0 0 0 0 0 0 0 -12.630700 -3.907100 17.311701 1XA 0 0.40000 0.40000 UNCH H1 18
43 12 1 0 0 0 0 0 0 0 0 0 0 -12.414400 -2.259300 17.005301 1XA 0 0.40000 0.40000 UNCH H2 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.034600 -5.658300 17.411600 1XA 0 0.15000 0.15000 UNCH H3 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.121700 -7.023800 16.678101 1XA 0 0.15000 0.15000 UNCH H4 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -4.601200 -7.261100 14.264600 1XA 0 0.15000 0.15000 UNCH H5 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.008800 -6.140600 12.576300 1XA 0 0.15000 0.15000 UNCH H6 23
43 16 1 0 0 0 0 0 0 0 0 0 0 -8.672900 -2.473700 13.766700 1XA 0 0.42000 0.42000 UNCH H7 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.289100 -2.706900 11.929600 1XA 0 0.00000 0.00000 UNCH H8 25
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.169000 -2.521300 13.706000 1XA 0 0.00000 0.00000 UNCH H9 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.847300 -1.224700 12.713000 1XA 0 0.00000 0.00000 UNCH H10 27
29 [CUBTUO,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 10 1 11 2 17 1 0 0 0 0 0 0 -10.619100 -2.833900 13.707500 1XA 0 -0.70000 -0.70000 CUBT N1 1
25 11 1 12 1 19 1 0 0 0 0 0 0 -12.617800 -2.111100 13.897800 1XA 0 -0.70000 -0.70000 CUBT N2 2
2 4 2 8 1 9 1 0 0 0 0 0 0 -8.883300 -4.470400 15.327300 1XA 0 -0.14350 -0.14350 CUBT C1 3
2 3 2 5 1 13 1 0 0 0 0 0 0 -8.619200 -5.572600 14.474100 1XA 0 -0.14350 -0.14350 CUBT C2 4
2 4 1 6 2 14 1 0 0 0 0 0 0 -7.297300 -5.786200 14.015400 1XA 0 -0.14350 -0.14350 CUBT C3 5
2 5 2 7 1 15 1 0 0 0 0 0 0 -6.284100 -4.880100 14.365400 1XA 0 -0.15000 -0.15000 CUBT C4 6
2 6 1 8 2 16 1 0 0 0 0 0 0 -6.553100 -3.788800 15.183100 1XA 0 -0.15000 -0.15000 CUBT C5 7
2 3 1 7 2 29 1 0 0 0 0 0 0 -7.840900 -3.587000 15.664500 1XA 0 -0.15000 -0.15000 CUBT C6 8
3 3 1 10 1 21 1 22 1 0 0 0 0 -10.268200 -4.162800 15.858800 1XA 0 0.31150 0.31150 CUBT C7 9
2 1 1 9 1 12 2 0 0 0 0 0 0 -11.074700 -3.319600 14.933400 1XA 0 0.18200 0.18200 CUBT C8 10
2 1 2 2 1 18 1 0 0 0 0 0 0 -11.552700 -2.108500 13.092500 1XA 0 0.65000 0.65000 CUBT C9 11
2 2 1 10 2 20 1 0 0 0 0 0 0 -12.361000 -2.843700 15.036100 1XA 0 0.20000 0.20000 CUBT C10 12
3 4 1 23 1 24 1 25 1 0 0 0 0 -9.713000 -6.552700 14.120000 1XA 0 0.14350 0.14350 CUBT C11 13
3 5 1 26 1 27 1 28 1 0 0 0 0 -6.928200 -6.964400 13.149900 1XA 0 0.14350 0.14350 CUBT C12 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.264300 -5.032500 14.013900 1XA 0 0.15000 0.15000 CUBT H1 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.750800 -3.107400 15.457900 1XA 0 0.15000 0.15000 CUBT H2 16
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.686100 -3.016900 13.334900 1XA 0 0.45000 0.45000 CUBT H3 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.464800 -1.615700 12.131200 1XA 0 0.15000 0.15000 CUBT H4 18
43 2 1 0 0 0 0 0 0 0 0 0 0 -13.492500 -1.633700 13.689200 1XA 0 0.45000 0.45000 CUBT H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -13.136400 -2.931000 15.778000 1XA 0 0.15000 0.15000 CUBT H6 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.815300 -5.087200 16.074301 1XA 0 0.00000 0.00000 CUBT H7 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.188200 -3.633700 16.816900 1XA 0 0.00000 0.00000 CUBT H8 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.663700 -6.041300 13.942900 1XA 0 0.00000 0.00000 CUBT H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.499800 -7.097600 13.196200 1XA 0 0.00000 0.00000 CUBT H10 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.839100 -7.276300 14.931300 1XA 0 0.00000 0.00000 CUBT H11 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.254600 -7.899500 13.616300 1XA 0 0.00000 0.00000 CUBT H12 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.385900 -6.864100 12.160800 1XA 0 0.00000 0.00000 CUBT H13 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.844400 -7.037400 13.009200 1XA 0 0.00000 0.00000 CUBT H14 28
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.020900 -2.734700 16.318100 1XA 0 0.15000 0.15000 CUBT H15 29
27 [CUCDAF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 21 1 4 1 0 0 0 0 0 0 0 0 -8.783900 -3.184500 11.643200 1XA 0 -0.68000 -0.68000 CUCD O1 1
16 6 1 5 1 0 0 0 0 0 0 0 0 -6.371600 -3.054300 13.420900 1XA 0 -0.29600 -0.29600 CUCD O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 -6.677700 -4.876700 16.343500 1XA 0 -0.57000 -0.57000 CUCD O3 3
3 1 1 14 1 12 1 5 1 0 0 0 0 -8.500100 -4.124600 12.676700 1XA 0 0.51850 0.51850 CUCD C1 4
3 2 1 4 1 16 1 6 1 0 0 0 0 -6.997200 -4.173300 12.774900 1XA 0 -0.04700 -0.04700 CUCD C2 5
3 2 1 5 1 17 1 7 1 0 0 0 0 -6.325200 -4.331500 14.097100 1XA 0 0.04800 0.04800 CUCD C3 6
2 3 2 6 1 13 1 0 0 0 0 0 0 -7.149500 -4.417800 15.312000 1XA 0 0.48380 0.48380 CUCD C4 7
2 18 1 13 1 9 2 0 0 0 0 0 0 -9.189000 -3.650900 16.448400 1XA 0 -0.15000 -0.15000 CUCD C5 8
2 8 2 19 1 10 1 0 0 0 0 0 0 -10.478800 -3.141600 16.458099 1XA 0 -0.15000 -0.15000 CUCD C6 9
2 9 1 20 1 11 2 0 0 0 0 0 0 -11.133500 -2.910900 15.253400 1XA 0 -0.15000 -0.15000 CUCD C7 10
2 10 2 15 1 12 1 0 0 0 0 0 0 -10.522900 -3.202600 14.016300 1XA 0 -0.14350 -0.14350 CUCD C8 11
2 4 1 11 1 13 2 0 0 0 0 0 0 -9.196500 -3.719700 13.986200 1XA 0 -0.14350 -0.14350 CUCD C9 12
2 7 1 8 1 12 2 0 0 0 0 0 0 -8.549200 -3.927700 15.231200 1XA 0 0.08620 0.08620 CUCD C10 13
3 4 1 24 1 23 1 22 1 0 0 0 0 -9.000200 -5.506300 12.228000 1XA 0 0.00000 0.00000 CUCD C11 14
3 11 1 27 1 26 1 25 1 0 0 0 0 -11.327900 -2.893200 12.777500 1XA 0 0.14350 0.14350 CUCD C12 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.515500 -4.558200 11.885400 1XA 0 0.10000 0.10000 CUCD H2 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.369200 -4.839100 14.129800 1XA 0 0.10000 0.10000 CUCD H3 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.674200 -3.819700 17.392799 1XA 0 0.15000 0.15000 CUCD H5 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.971100 -2.917100 17.400900 1XA 0 0.15000 0.15000 CUCD H6 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -12.142200 -2.500300 15.282800 1XA 0 0.15000 0.15000 CUCD H7 20
42 1 1 0 0 0 0 0 0 0 0 0 0 -8.465700 -2.323200 11.971000 1XA 0 0.40000 0.40000 CUCD H101 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.084300 -5.530500 12.083500 1XA 0 0.00000 0.00000 CUCD H111 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.556500 -5.787100 11.265200 1XA 0 0.00000 0.00000 CUCD H112 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.742200 -6.283100 12.957100 1XA 0 0.00000 0.00000 CUCD H113 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.965800 -1.970100 12.314600 1XA 0 0.00000 0.00000 CUCD H121 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.295100 -3.710400 12.054500 1XA 0 0.00000 0.00000 CUCD H122 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.386800 -2.745800 13.019300 1XA 0 0.00000 0.00000 CUCD H123 27
29 [CUCHOX,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 9 1 16 1 0 0 0 0 0 0 0 0 -7.290600 -6.578500 14.654300 1XA 0 -0.68000 -0.68000 UNCH O2 1
3 11 1 24 1 25 1 26 1 0 0 0 0 -10.423700 -2.317000 12.558400 1XA 0 0.06100 0.06100 UNCH C10 2
15 8 2 0 0 0 0 0 0 0 0 0 0 -7.903600 -2.406800 14.610000 1XA 0 -0.57000 -0.57000 UNCH O3 3
2 6 1 7 1 14 2 0 0 0 0 0 0 -9.923000 -5.334400 12.659200 1XA 0 0.50900 0.50900 UNCH C2 4
15 11 2 0 0 0 0 0 0 0 0 0 0 -11.391500 -2.753800 14.711400 1XA 0 -0.57000 -0.57000 UNCH O4 5
3 4 1 10 1 11 1 12 1 0 0 0 0 -10.004700 -4.473500 13.869700 1XA 0 0.00000 0.00000 UNCH C1 6
3 4 1 9 1 19 1 20 1 0 0 0 0 -8.663200 -6.159800 12.674400 1XA 0 0.06100 0.06100 UNCH C3 7
2 3 2 10 1 15 1 0 0 0 0 0 0 -8.077500 -3.425400 15.267400 1XA 0 0.50900 0.50900 UNCH C7 8
3 1 1 7 1 10 1 13 1 0 0 0 0 -7.791400 -5.552900 13.797600 1XA 0 0.37500 0.37500 UNCH C4 9
3 6 1 8 1 9 1 12 1 0 0 0 0 -8.685600 -4.626200 14.618700 1XA 0 -0.09500 -0.09500 UNCH C5 10
2 2 1 5 2 6 1 0 0 0 0 0 0 -10.672000 -3.136400 13.793500 1XA 0 0.50900 0.50900 UNCH C9 11
3 6 1 10 1 17 1 18 1 0 0 0 0 -9.969100 -5.180700 15.217200 1XA 0 -0.20000 -0.20000 UNCH C6 12
3 9 1 21 1 22 1 23 1 0 0 0 0 -6.579300 -4.843900 13.190400 1XA 0 0.00000 0.00000 UNCH C11 13
15 4 2 0 0 0 0 0 0 0 0 0 0 -10.799100 -5.385900 11.812100 1XA 0 -0.57000 -0.57000 UNCH O1 14
3 8 1 27 1 28 1 29 1 0 0 0 0 -7.711200 -3.555800 16.716400 1XA 0 0.06100 0.06100 UNCH C8 15
42 1 1 0 0 0 0 0 0 0 0 0 0 -8.020500 -7.156700 14.933300 1XA 0 0.40000 0.40000 UNCH H2 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.415800 -4.673800 16.068701 1XA 0 0.10000 0.10000 UNCH H61 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.142600 -6.250600 15.240100 1XA 0 0.10000 0.10000 UNCH H62 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.930500 -7.201400 12.880000 1XA 0 0.00000 0.00000 UNCH H31 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.184500 -6.100300 11.692200 1XA 0 0.00000 0.00000 UNCH H32 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.913100 -4.456200 13.969500 1XA 0 0.00000 0.00000 UNCH H111 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977100 -5.544500 12.600100 1XA 0 0.00000 0.00000 UNCH H112 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.876600 -4.012300 12.543000 1XA 0 0.00000 0.00000 UNCH H113 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -10.491300 -1.255200 12.811100 1XA 0 0.00000 0.00000 UNCH H101 24
41 2 1 0 0 0 0 0 0 0 0 0 0 -11.173700 -2.559800 11.802100 1XA 0 0.00000 0.00000 UNCH H102 25
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.422800 -2.509000 12.163100 1XA 0 0.00000 0.00000 UNCH H103 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.910000 -2.850000 16.952101 1XA 0 0.00000 0.00000 UNCH H81 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.350800 -4.566100 16.926800 1XA 0 0.00000 0.00000 UNCH H82 28
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.584000 -3.335900 17.335600 1XA 0 0.00000 0.00000 UNCH H83 29
25 [CUCHUD,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 7 1 0 0 0 0 0 0 0 0 -8.531000 -4.679900 13.845700 1XA 0 -0.15750 -0.15750 UNCH S1 1
2 1 1 3 2 6 1 0 0 0 0 0 0 -8.685700 -2.951300 13.965700 1XA 0 -0.09560 -0.09560 UNCH C2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -8.337600 -2.011000 14.918700 1XA 0 0.30620 0.30620 UNCH C3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.706300 -0.734900 14.519500 1XA 0 -0.56530 -0.56530 UNCH N4 4
2 4 2 6 1 18 1 0 0 0 0 0 0 -9.274500 -0.902100 13.347300 1XA 0 0.03650 0.03650 UNCH C5 5
25 2 1 5 1 16 1 0 0 0 0 0 0 -9.282600 -2.218200 12.966500 1XA 0 0.04760 0.04760 UNCH N6 6
2 1 1 8 2 12 1 0 0 0 0 0 0 -9.176100 -5.179100 15.442400 1XA 0 0.41150 0.41150 UNCH C7 7
25 7 2 9 1 0 0 0 0 0 0 0 0 -10.126500 -4.381500 15.998000 1XA 0 -0.62000 -0.62000 UNCH N8 8
2 8 1 10 2 19 1 0 0 0 0 0 0 -10.598900 -4.732300 17.213499 1XA 0 0.16000 0.16000 UNCH C9 9
2 9 2 11 1 20 1 0 0 0 0 0 0 -10.180900 -5.854700 17.907900 1XA 0 -0.15000 -0.15000 UNCH C10 10
2 10 1 12 2 21 1 0 0 0 0 0 0 -9.219300 -6.673700 17.324499 1XA 0 -0.15000 -0.15000 UNCH C11 11
2 7 1 11 2 17 1 0 0 0 0 0 0 -8.708100 -6.336100 16.073900 1XA 0 0.08250 0.08250 UNCH C12 12
31 3 1 14 1 15 2 0 0 0 0 0 0 -7.660300 -2.198800 16.178699 1XA 0 0.96100 0.96100 UNCH N13 13
18 13 1 0 0 0 0 0 0 0 0 0 0 -6.835400 -3.122500 16.252399 1XA 0 -0.52000 -0.52000 UNCH O14 14
15 13 2 0 0 0 0 0 0 0 0 0 0 -7.933400 -1.411000 17.096600 1XA 0 -0.52000 -0.52000 UNCH O15 15
3 6 1 22 1 23 1 24 1 0 0 0 0 -9.851800 -2.706200 11.732300 1XA 0 0.25560 0.25560 UNCH C16 16
16 12 1 25 1 0 0 0 0 0 0 0 0 -7.763500 -7.133800 15.489400 1XA 0 -0.53250 -0.53250 UNCH O17 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.694100 -0.111900 12.736700 1XA 0 0.15000 0.15000 UNCH H5 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -11.346400 -4.062500 17.630501 1XA 0 0.15000 0.15000 UNCH H9 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.595400 -6.085400 18.883400 1XA 0 0.15000 0.15000 UNCH H10 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.883300 -7.560400 17.852301 1XA 0 0.15000 0.15000 UNCH H11 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.066700 -3.202600 11.156400 1XA 0 0.00000 0.00000 UNCH H161 22
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.662800 -3.399300 11.970100 1XA 0 0.00000 0.00000 UNCH H162 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.248800 -1.866200 11.155900 1XA 0 0.00000 0.00000 UNCH H163 24
42 17 1 0 0 0 0 0 0 0 0 0 0 -7.454200 -7.789500 16.135401 1XA 0 0.45000 0.45000 UNCH H17 25
23 [CUDJAM,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 13 2 0 0 0 0 0 0 0 0 0 0 -6.607000 -3.004700 11.794200 1XA 0 -0.57000 -0.57000 UNCH O1 1
16 6 1 14 1 0 0 0 0 0 0 0 0 -10.430700 -7.093900 13.727500 1XA 0 -0.33700 -0.33700 UNCH O2 2
16 5 1 15 1 0 0 0 0 0 0 0 0 -9.218700 -2.520200 17.068001 1XA 0 -0.33700 -0.33700 UNCH O3 3
25 9 1 10 1 11 1 0 0 0 0 0 0 -8.692000 -5.018900 13.691000 1XA 0 -0.38800 -0.38800 UNCH N1 4
25 3 1 8 2 0 0 0 0 0 0 0 0 -8.899600 -3.535200 16.158001 1XA 0 -0.51300 -0.51300 UNCH N2 5
25 2 1 9 2 0 0 0 0 0 0 0 0 -10.683800 -6.051600 14.629100 1XA 0 -0.51300 -0.51300 UNCH N3 6
25 13 1 16 1 17 1 0 0 0 0 0 0 -6.636500 -2.957000 14.070100 1XA 0 -0.80000 -0.80000 UNCH N4 7
2 5 2 9 1 12 1 0 0 0 0 0 0 -9.967900 -3.972900 15.550400 1XA 0 0.38900 0.38900 UNCH C1 8
2 4 1 6 2 8 1 0 0 0 0 0 0 -9.791400 -5.107100 14.534300 1XA 0 0.50000 0.50000 UNCH C2 9
3 4 1 11 1 18 1 19 1 0 0 0 0 -8.850600 -5.134400 12.250100 1XA 0 -0.03100 -0.03100 UNCH C3 10
3 4 1 10 1 13 1 20 1 0 0 0 0 -8.539800 -3.799300 12.890500 1XA 0 0.06900 0.06900 UNCH C4 11
3 8 1 21 1 22 1 23 1 0 0 0 0 -11.370200 -3.473300 15.770700 1XA 0 0.06100 0.06100 UNCH C5 12
2 1 2 7 1 11 1 0 0 0 0 0 0 -7.179000 -3.229600 12.850400 1XA 0 0.63000 0.63000 UNCH C6 13
42 2 1 0 0 0 0 0 0 0 0 0 0 -11.098000 -7.758800 13.979400 1XA 0 0.40000 0.40000 UNCH H2 14
42 3 1 0 0 0 0 0 0 0 0 0 0 -8.372500 -2.363400 17.528000 1XA 0 0.40000 0.40000 UNCH H3 15
43 7 1 0 0 0 0 0 0 0 0 0 0 -5.671900 -2.661800 14.113400 1XA 0 0.37000 0.37000 UNCH H14 16
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.102400 -3.260500 14.921500 1XA 0 0.37000 0.37000 UNCH H24 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.855500 -5.317000 11.897600 1XA 0 0.10000 0.10000 UNCH H13 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.051300 -5.685500 11.775500 1XA 0 0.10000 0.10000 UNCH H23 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.350500 -3.081900 12.930600 1XA 0 0.10000 0.10000 UNCH H4 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -12.003100 -3.711500 14.911400 1XA 0 0.00000 0.00000 UNCH H15 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.783700 -3.947700 16.664600 1XA 0 0.00000 0.00000 UNCH H25 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.377800 -2.387800 15.899000 1XA 0 0.00000 0.00000 UNCH H35 23
35 [CUDNEU,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 4 1 5 1 6 1 7 1 0 0 0 0 -8.406600 -6.259600 13.665700 1XA 0 0.32200 0.32200 UNCH SI1 1
16 7 1 13 1 0 0 0 0 0 0 0 0 -9.006500 -4.419400 15.909700 1XA 0 -0.56000 -0.56000 UNCH O1 2
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.967000 -3.754000 12.332500 1XA 0 -0.68000 -0.68000 UNCH O2 3
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.998100 -7.199800 13.352600 1XA 0 -0.08050 -0.08050 UNCH C1 4
3 1 1 18 1 19 1 20 1 0 0 0 0 -7.343200 -7.133900 14.943000 1XA 0 -0.08050 -0.08050 UNCH C2 5
3 1 1 21 1 22 1 23 1 0 0 0 0 -7.452600 -6.041700 12.066300 1XA 0 -0.08050 -0.08050 UNCH C3 6
3 1 1 2 1 8 1 12 1 0 0 0 0 -8.882900 -4.378600 14.460500 1XA 0 0.19950 0.19950 UNCH C4 7
3 7 1 9 1 24 1 25 1 0 0 0 0 -7.659300 -3.448300 14.194500 1XA 0 0.00000 0.00000 UNCH C5 8
3 8 1 10 1 26 1 27 1 0 0 0 0 -7.929500 -2.012400 14.655200 1XA 0 0.00000 0.00000 UNCH C6 9
3 9 1 11 1 28 1 29 1 0 0 0 0 -9.190400 -1.437800 14.016500 1XA 0 0.00000 0.00000 UNCH C7 10
3 10 1 12 1 30 1 31 1 0 0 0 0 -10.405100 -2.342500 14.228700 1XA 0 0.00000 0.00000 UNCH C8 11
3 3 1 7 1 11 1 32 1 0 0 0 0 -10.141500 -3.779400 13.752200 1XA 0 0.28000 0.28000 UNCH C9 12
3 2 1 33 1 34 1 35 1 0 0 0 0 -10.146300 -5.062200 16.456900 1XA 0 0.28000 0.28000 UNCH C10 13
42 3 1 0 0 0 0 0 0 0 0 0 0 -10.753400 -3.330800 11.946200 1XA 0 0.40000 0.40000 UNCH H1 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.778600 -8.190700 12.943300 1XA 0 0.00000 0.00000 UNCH H11 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.627600 -6.670000 12.631800 1XA 0 0.00000 0.00000 UNCH H12 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.572300 -7.336400 14.272200 1XA 0 0.00000 0.00000 UNCH H13 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.892000 -7.273800 15.878500 1XA 0 0.00000 0.00000 UNCH H21 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.442200 -6.551800 15.157300 1XA 0 0.00000 0.00000 UNCH H22 19
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.036200 -8.118100 14.576900 1XA 0 0.00000 0.00000 UNCH H23 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.235200 -7.016000 11.618100 1XA 0 0.00000 0.00000 UNCH H31 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.025600 -5.456900 11.341500 1XA 0 0.00000 0.00000 UNCH H32 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.500200 -5.534000 12.243900 1XA 0 0.00000 0.00000 UNCH H33 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.404200 -3.426500 13.128300 1XA 0 0.00000 0.00000 UNCH H51 24
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.777500 -3.819000 14.732800 1XA 0 0.00000 0.00000 UNCH H52 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.070700 -1.380400 14.401300 1XA 0 0.00000 0.00000 UNCH H61 26
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.027600 -1.984100 15.747100 1XA 0 0.00000 0.00000 UNCH H62 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.394800 -0.446100 14.436000 1XA 0 0.00000 0.00000 UNCH H71 28
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.020600 -1.295700 12.942200 1XA 0 0.00000 0.00000 UNCH H72 29
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.252900 -1.917700 13.677900 1XA 0 0.00000 0.00000 UNCH H81 30
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.677200 -2.339400 15.290200 1XA 0 0.00000 0.00000 UNCH H82 31
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.027700 -4.390400 13.953400 1XA 0 0.00000 0.00000 UNCH H91 32
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.193700 -6.113300 16.170601 1XA 0 0.00000 0.00000 UNCH H101 33
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.060600 -5.019600 17.546700 1XA 0 0.00000 0.00000 UNCH H102 34
41 13 1 0 0 0 0 0 0 0 0 0 0 -11.069800 -4.549200 16.179701 1XA 0 0.00000 0.00000 UNCH H103 35
17 [CUDPAS,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 6 1 0 0 0 0 0 0 0 0 -8.650000 -7.028200 14.668500 1XA 0 -0.62000 -0.62000 CUDP N1 1
2 1 2 3 1 14 1 0 0 0 0 0 0 -8.429500 -6.167200 15.685700 1XA 0 0.16000 0.16000 CUDP C2 2
2 2 1 4 2 15 1 0 0 0 0 0 0 -8.461700 -4.792000 15.548900 1XA 0 -0.15000 -0.15000 CUDP C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -8.720400 -4.253100 14.285100 1XA 0 0.08620 0.08620 CUDP C4 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -8.919800 -5.109700 13.203600 1XA 0 0.08250 0.08250 CUDP C5 5
2 1 1 5 2 16 1 0 0 0 0 0 0 -8.879000 -6.474800 13.452800 1XA 0 0.16000 0.16000 CUDP C6 6
16 5 1 17 1 0 0 0 0 0 0 0 0 -9.133300 -4.722400 11.911600 1XA 0 -0.53250 -0.53250 CUDP O7 7
2 4 1 9 2 11 1 0 0 0 0 0 0 -8.808100 -2.791800 14.169900 1XA 0 0.52880 0.52880 CUDP C8 8
25 8 2 10 1 0 0 0 0 0 0 0 0 -8.014000 -1.818800 14.507800 1XA 0 -0.80000 -0.80000 CUDP N9 9
18 9 1 0 0 0 0 0 0 0 0 0 0 -6.808200 -2.194900 15.037200 1XA 0 -0.65000 -0.65000 CUDP O10 10
31 8 1 12 1 13 2 0 0 0 0 0 0 -10.027400 -2.252200 13.558500 1XA 0 0.87500 0.87500 CUDP N11 11
18 11 1 0 0 0 0 0 0 0 0 0 0 -11.023100 -2.116700 14.290200 1XA 0 -0.52000 -0.52000 CUDP O12 12
15 11 2 0 0 0 0 0 0 0 0 0 0 -10.002800 -2.093500 12.322400 1XA 0 -0.52000 -0.52000 CUDP O13 13
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.220500 -6.624000 16.648300 1XA 0 0.15000 0.15000 CUDP H1 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.275900 -4.142500 16.399799 1XA 0 0.15000 0.15000 CUDP H2 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.029100 -7.185200 12.645200 1XA 0 0.15000 0.15000 CUDP H3 16
42 7 1 0 0 0 0 0 0 0 0 0 0 -8.977600 -3.761700 11.804300 1XA 0 0.45000 0.45000 CUDP H4 17
25 [CUDPOG,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 2 0 0 0 0 0 0 0 0 0 0 -11.557900 -5.009300 15.103100 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 5 1 6 1 9 1 0 0 0 0 0 0 -8.993700 -3.975200 15.299700 1XA 0 -0.47710 -0.47710 UNCH N1 2
25 4 2 5 1 0 0 0 0 0 0 0 0 -10.388200 -3.587100 17.052099 1XA 0 -0.21100 -0.21100 UNCH N3 3
25 3 2 6 1 0 0 0 0 0 0 0 0 -9.354500 -2.919900 17.299500 1XA 0 -0.24600 -0.24600 UNCH N4 4
2 1 2 2 1 3 1 0 0 0 0 0 0 -10.268000 -4.206100 15.821600 1XA 0 0.65100 0.65100 UNCH C2 5
3 2 1 4 1 7 1 8 1 0 0 0 0 -8.415000 -2.968900 16.152000 1XA 0 0.54610 0.54610 UNCH C5 6
3 6 1 23 1 24 1 25 1 0 0 0 0 -7.044200 -3.330700 16.731701 1XA 0 0.00000 0.00000 UNCH C6 7
3 6 1 20 1 21 1 22 1 0 0 0 0 -8.436400 -1.551500 15.558700 1XA 0 0.00000 0.00000 UNCH C7 8
2 2 1 10 2 14 1 0 0 0 0 0 0 -8.318800 -4.638600 14.233500 1XA 0 0.11700 0.11700 UNCH C8 9
2 9 2 11 1 15 1 0 0 0 0 0 0 -8.613900 -5.968300 13.897200 1XA 0 -0.15000 -0.15000 UNCH C9 10
2 10 1 12 2 16 1 0 0 0 0 0 0 -7.942100 -6.633700 12.863900 1XA 0 -0.15000 -0.15000 UNCH C10 11
2 11 2 13 1 17 1 0 0 0 0 0 0 -6.945200 -5.984900 12.148200 1XA 0 -0.15000 -0.15000 UNCH C11 12
2 12 1 14 2 18 1 0 0 0 0 0 0 -6.615600 -4.676400 12.475900 1XA 0 -0.15000 -0.15000 UNCH C12 13
2 9 1 13 2 19 1 0 0 0 0 0 0 -7.290600 -4.016400 13.511500 1XA 0 -0.15000 -0.15000 UNCH C13 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.339600 -6.549800 14.457100 1XA 0 0.15000 0.15000 UNCH H9 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.197400 -7.664700 12.630900 1XA 0 0.15000 0.15000 UNCH H10 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.423400 -6.498900 11.345500 1XA 0 0.15000 0.15000 UNCH H11 17
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.833100 -4.160700 11.924500 1XA 0 0.15000 0.15000 UNCH H12 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.991000 -2.995200 13.704200 1XA 0 0.15000 0.15000 UNCH H13 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.218300 -0.804200 16.331301 1XA 0 0.00000 0.00000 UNCH H61 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.422700 -1.310700 15.144500 1XA 0 0.00000 0.00000 UNCH H62 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.703200 -1.408400 14.763500 1XA 0 0.00000 0.00000 UNCH H63 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.751700 -2.622400 17.515800 1XA 0 0.00000 0.00000 UNCH H71 23
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.059500 -4.329000 17.184799 1XA 0 0.00000 0.00000 UNCH H72 24
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.255800 -3.321500 15.974000 1XA 0 0.00000 0.00000 UNCH H73 25
11 [CUDREY,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 4 1 0 0 0 0 0 0 0 0 -9.471300 -5.309000 13.587000 1XA 0 -0.13300 -0.13300 CUDR S1 1
25 7 1 5 1 4 2 0 0 0 0 0 0 -8.307300 -3.569900 15.051400 1XA 0 -0.68300 -0.68300 CUDR N1 2
25 11 1 10 1 4 1 0 0 0 0 0 0 -10.625200 -3.655700 15.349200 1XA 0 -0.73200 -0.73200 CUDR N2 3
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.513700 -4.064700 14.778000 1XA 0 0.82500 0.82500 CUDR C1 4
2 2 1 8 1 6 2 0 0 0 0 0 0 -7.296700 -4.167200 14.317500 1XA 0 0.18300 0.18300 CUDR C2 5
2 1 1 5 2 9 1 0 0 0 0 0 0 -7.761100 -5.141700 13.466200 1XA 0 -0.11000 -0.11000 CUDR C3 6
43 2 1 0 0 0 0 0 0 0 0 0 0 -8.171400 -2.829200 15.734000 1XA 0 0.45000 0.45000 CUDR H1 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.260500 -3.866300 14.434300 1XA 0 0.15000 0.15000 CUDR H2 8
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.193700 -5.761600 12.783400 1XA 0 0.15000 0.15000 CUDR H3 9
43 3 1 0 0 0 0 0 0 0 0 0 0 -10.610000 -2.924500 16.042500 1XA 0 0.45000 0.45000 CUDR H4 10
43 3 1 0 0 0 0 0 0 0 0 0 0 -11.481600 -4.109400 15.057600 1XA 0 0.45000 0.45000 CUDR H5 11
37 [CUFFAK,37,37,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 10 1 15 1 0 0 0 0 0 0 0 0 -12.103200 -1.475000 18.571501 1XA 0 -0.53250 -0.53250 UNCH O1 1
2 4 2 28 1 37 1 0 0 0 0 0 0 -6.683200 -7.255400 15.827300 1XA 0 -0.15000 -0.15000 UNCH C17 2
16 12 1 31 1 0 0 0 0 0 0 0 0 -6.916200 -0.479400 10.868100 1XA 0 -0.53250 -0.53250 UNCH O2 3
2 2 2 6 1 30 1 0 0 0 0 0 0 -6.354700 -5.942700 16.206301 1XA 0 -0.15000 -0.15000 UNCH C18 4
16 11 1 34 1 0 0 0 0 0 0 0 0 -8.962500 -1.370100 15.009200 1XA 0 -0.16500 -0.16500 UNCH O3 5
2 4 1 32 1 35 2 0 0 0 0 0 0 -7.147800 -4.862500 15.805400 1XA 0 -0.15000 -0.15000 UNCH C19 6
16 8 1 23 1 0 0 0 0 0 0 0 0 -10.180400 -5.099800 13.743900 1XA 0 -0.43000 -0.43000 UNCH O4 7
2 7 1 9 2 36 1 0 0 0 0 0 0 -9.783200 -6.401100 13.850100 1XA 0 0.63380 0.63380 UNCH C20 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -10.329900 -7.366900 13.357300 1XA 0 -0.57000 -0.57000 UNCH O5 9
42 1 1 0 0 0 0 0 0 0 0 0 0 -11.846300 -0.538200 18.582800 1XA 0 0.45000 0.45000 UNCH H1 10
2 5 1 13 2 21 1 0 0 0 0 0 0 -9.849200 -2.112800 15.751700 1XA 0 0.08250 0.08250 UNCH C1 11
42 3 1 0 0 0 0 0 0 0 0 0 0 -6.685100 -0.910400 10.028700 1XA 0 0.45000 0.45000 UNCH H2 12
2 11 2 14 1 15 1 0 0 0 0 0 0 -10.511600 -1.426400 16.773600 1XA 0 -0.15000 -0.15000 UNCH C2 13
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.304100 -0.372500 16.928400 1XA 0 0.15000 0.15000 UNCH H3 14
2 1 1 13 1 17 2 0 0 0 0 0 0 -11.429600 -2.103400 17.566799 1XA 0 0.08250 0.08250 UNCH C3 15
41 17 1 0 0 0 0 0 0 0 0 0 0 -12.412700 -3.968500 17.983101 1XA 0 0.15000 0.15000 UNCH H4 16
2 15 2 16 1 19 1 0 0 0 0 0 0 -11.690500 -3.450900 17.357201 1XA 0 -0.15000 -0.15000 UNCH C4 17
41 19 1 0 0 0 0 0 0 0 0 0 0 -11.236600 -5.193300 16.197901 1XA 0 0.15000 0.15000 UNCH H5 18
2 17 1 18 1 21 2 0 0 0 0 0 0 -11.020700 -4.136700 16.342199 1XA 0 -0.15000 -0.15000 UNCH C5 19
41 27 1 0 0 0 0 0 0 0 0 0 0 -8.341800 -4.672900 11.863400 1XA 0 0.15000 0.15000 UNCH H6 20
2 11 1 19 2 23 1 0 0 0 0 0 0 -10.085800 -3.473800 15.525200 1XA 0 -0.14350 -0.14350 UNCH C6 21
41 29 1 0 0 0 0 0 0 0 0 0 0 -7.302700 -3.070500 10.329300 1XA 0 0.15000 0.15000 UNCH H7 22
3 7 1 21 1 25 1 35 1 0 0 0 0 -9.291500 -4.190700 14.450500 1XA 0 0.71050 0.71050 UNCH C7 23
41 33 1 0 0 0 0 0 0 0 0 0 0 -7.819700 0.069600 13.221700 1XA 0 0.15000 0.15000 UNCH H8 24
2 23 1 27 2 34 1 0 0 0 0 0 0 -8.693900 -3.223800 13.445700 1XA 0 -0.14350 -0.14350 UNCH C8 25
41 37 1 0 0 0 0 0 0 0 0 0 0 -8.079000 -8.509800 14.739900 1XA 0 0.15000 0.15000 UNCH H9 26
2 20 1 25 2 29 1 0 0 0 0 0 0 -8.237900 -3.636300 12.178600 1XA 0 -0.15000 -0.15000 UNCH C9 27
41 2 1 0 0 0 0 0 0 0 0 0 0 -6.054500 -8.082800 16.149599 1XA 0 0.15000 0.15000 UNCH H10 28
2 22 1 27 1 31 2 0 0 0 0 0 0 -7.643300 -2.726000 11.301100 1XA 0 -0.15000 -0.15000 UNCH C10 29
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.473200 -5.765800 16.819799 1XA 0 0.15000 0.15000 UNCH H11 30
2 3 1 29 2 33 1 0 0 0 0 0 0 -7.495400 -1.400100 11.689600 1XA 0 0.08250 0.08250 UNCH C11 31
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.888700 -3.849600 16.102400 1XA 0 0.15000 0.15000 UNCH H12 32
2 24 1 31 1 34 2 0 0 0 0 0 0 -7.937600 -0.971000 12.933900 1XA 0 -0.15000 -0.15000 UNCH C12 33
2 5 1 25 1 33 2 0 0 0 0 0 0 -8.543200 -1.879500 13.804100 1XA 0 0.08250 0.08250 UNCH C13 34
2 6 2 23 1 36 1 0 0 0 0 0 0 -8.266500 -5.119200 15.024600 1XA 0 -0.14350 -0.14350 UNCH C14 35
2 8 1 35 1 37 2 0 0 0 0 0 0 -8.575200 -6.414300 14.660800 1XA 0 0.08620 0.08620 UNCH C15 36
2 2 1 26 1 36 2 0 0 0 0 0 0 -7.809600 -7.502600 15.042100 1XA 0 -0.15000 -0.15000 UNCH C16 37
30 [CUGBEL,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 10 1 11 1 0 0 0 0 0 0 -9.582000 -4.434200 15.587600 1XA 0 0.18570 0.18570 UNCH C1 1
2 1 2 3 1 14 1 0 0 0 0 0 0 -9.048200 -3.607400 14.667500 1XA 0 0.06500 0.06500 UNCH C2 2
2 2 1 4 1 8 2 0 0 0 0 0 0 -7.654900 -3.811900 14.249900 1XA 0 -0.13820 -0.13820 UNCH C3 3
3 3 1 5 1 17 1 18 1 0 0 0 0 -7.080700 -2.918200 13.169800 1XA 0 0.13820 0.13820 UNCH C4 4
3 4 1 6 1 19 1 20 1 0 0 0 0 -5.749800 -3.416600 12.598400 1XA 0 0.00000 0.00000 UNCH C5 5
3 5 1 7 1 21 1 22 1 0 0 0 0 -4.821200 -3.898600 13.704400 1XA 0 0.00000 0.00000 UNCH C6 6
3 6 1 8 1 23 1 24 1 0 0 0 0 -5.463200 -5.037700 14.496600 1XA 0 0.13820 0.13820 UNCH C7 7
2 3 2 7 1 9 1 0 0 0 0 0 0 -6.908400 -4.782100 14.823800 1XA 0 -0.12380 -0.12380 UNCH C8 8
2 8 1 10 1 16 2 0 0 0 0 0 0 -7.516700 -5.664300 15.868100 1XA 0 0.61560 0.61560 UNCH C9 9
25 1 1 9 1 25 1 0 0 0 0 0 0 -8.828900 -5.416300 16.167101 1XA 0 -0.53900 -0.53900 UNCH N10 10
16 1 1 12 1 0 0 0 0 0 0 0 0 -10.862300 -4.311100 16.072500 1XA 0 -0.35670 -0.35670 UNCH O11 11
3 11 1 13 1 26 1 27 1 0 0 0 0 -11.739300 -5.283400 15.491400 1XA 0 0.28000 0.28000 UNCH C12 12
3 12 1 28 1 29 1 30 1 0 0 0 0 -13.144800 -5.006900 15.990700 1XA 0 0.00000 0.00000 UNCH C13 13
1 2 1 15 3 0 0 0 0 0 0 0 0 -9.832500 -2.551900 14.111000 1XA 0 0.49210 0.49210 UNCH C14 14
24 14 3 0 0 0 0 0 0 0 0 0 0 -10.454000 -1.696800 13.630800 1XA 0 -0.55710 -0.55710 UNCH N15 15
15 9 2 0 0 0 0 0 0 0 0 0 0 -6.884100 -6.557000 16.419500 1XA 0 -0.57000 -0.57000 UNCH O16 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.935300 -1.913800 13.588100 1XA 0 0.00000 0.00000 UNCH H4 17
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.782900 -2.824900 12.332500 1XA 0 0.00000 0.00000 UNCH H41 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.270800 -2.612800 12.028000 1XA 0 0.00000 0.00000 UNCH H5 19
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.936500 -4.238100 11.894900 1XA 0 0.00000 0.00000 UNCH H51 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.869700 -4.236100 13.278300 1XA 0 0.00000 0.00000 UNCH H6 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -4.590800 -3.063500 14.378300 1XA 0 0.00000 0.00000 UNCH H61 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.396300 -5.966400 13.916300 1XA 0 0.00000 0.00000 UNCH H7 23
41 7 1 0 0 0 0 0 0 0 0 0 0 -4.882200 -5.187000 15.414400 1XA 0 0.00000 0.00000 UNCH H71 24
43 10 1 0 0 0 0 0 0 0 0 0 0 -9.237700 -5.983400 16.897800 1XA 0 0.37000 0.37000 UNCH H10 25
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.718500 -5.209700 14.397300 1XA 0 0.00000 0.00000 UNCH H12 26
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.436200 -6.293500 15.791200 1XA 0 0.00000 0.00000 UNCH H121 27
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32 1 1 3 1 6 1 7 1 0 0 0 0 -8.709600 -3.718900 14.456100 1XA 0 -0.64100 -0.64100 CHGB N2 2
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32 [CYGUAN01,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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34 [DABHAP,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 2 1 4 2 22 1 0 0 0 0 0 0 -6.679700 -6.232500 14.774500 1XA 0 -0.15000 -0.15000 DABH C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -7.843500 -5.785100 15.401100 1XA 0 -0.00900 -0.00900 DABH C4 4
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20 [DABLIB,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 12 1 14 2 28 1 0 0 0 0 0 0 1.700800 1.097800 9.382400 1XA 0 -0.15000 -0.15000 DACL C11 13
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41 14 1 0 0 0 0 0 0 0 0 0 0 3.278600 1.646600 10.741700 1XA 0 0.15000 0.15000 DACL H12 29
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35 [DACYIP,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 0 0 0 0 0 0 0 0 0 0 -10.898100 -2.152700 14.355000 1XA 0 -0.67730 -0.67730 UNCH S9 1
53 1 2 3 1 4 1 22 1 0 0 0 0 -9.341100 -3.344400 14.355000 1XA 0 1.00720 1.00720 UNCH P1 2
25 2 1 9 1 23 1 0 0 0 0 0 0 -7.848300 -2.592600 14.355000 1XA 0 -0.80790 -0.80790 UNCH N7 3
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32 [DADDAN,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 13 1 14 1 0 0 0 0 0 0 0 0 -6.834000 -3.207900 13.540700 1XA 0 -0.43000 -0.43000 UNCH O10 1
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16 11 1 17 1 0 0 0 0 0 0 0 0 -8.781800 -4.720900 14.802300 1XA 0 -0.43000 -0.43000 UNCH O15 4
26 8 1 9 1 12 1 0 0 0 0 0 0 -10.995700 -2.383800 14.834900 1XA 0 -0.81000 -0.81000 UNCH N4 5
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3 1 1 6 1 27 1 28 1 0 0 0 0 -7.576800 -2.048900 13.151500 1XA 0 0.41820 0.41820 UNCH C9 13
2 1 1 2 2 15 1 0 0 0 0 0 0 -6.764800 -4.210300 12.622200 1XA 0 0.65900 0.65900 UNCH C11 14
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41 7 1 0 0 0 0 0 0 0 0 0 0 -9.997600 -1.993700 11.608600 1XA 0 0.15000 0.15000 UNCH H2 18
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.157000 -1.198700 13.700300 1XA 0 0.00000 0.00000 UNCH H92 28
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19 [DADLAV,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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15 9 2 0 0 0 0 0 0 0 0 0 0 -8.347600 -5.588300 11.904000 1XA 0 -0.57000 -0.57000 DADG O2 2
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25 6 1 13 1 14 1 0 0 0 0 0 0 -10.994200 -4.971900 13.332800 1XA 0 -0.90000 -0.90000 DADG N2 4
2 1 2 3 1 6 1 0 0 0 0 0 0 -10.190700 -4.786100 15.715700 1XA 0 0.61560 0.61560 DADG C1 5
2 4 1 5 1 7 2 0 0 0 0 0 0 -9.960300 -4.838000 14.229200 1XA 0 0.11440 0.11440 DADG C2 6
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43 3 1 0 0 0 0 0 0 0 0 0 0 -8.827000 -4.596200 17.294201 1XA 0 0.37000 0.37000 DADG H1 12
43 4 1 0 0 0 0 0 0 0 0 0 0 -10.697500 -5.442400 12.475500 1XA 0 0.40000 0.40000 DADG H2 13
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41 11 1 0 0 0 0 0 0 0 0 0 0 -6.334300 -4.479300 16.695000 1XA 0 0.15000 0.15000 DADG H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -5.888700 -4.577400 14.909000 1XA 0 0.15000 0.15000 DADG H5 16
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19 [DADLEZ,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 5 1 2 1 0 0 0 0 0 0 0 0 -8.826800 -2.877100 13.215800 1XA 0 -0.22670 -0.22670 DADL O1 1
2 1 1 6 2 3 1 0 0 0 0 0 0 -8.131200 -2.580800 14.350500 1XA 0 0.58560 0.58560 DADL C1 2
2 2 1 7 1 4 2 0 0 0 0 0 0 -8.218800 -3.659200 15.357100 1XA 0 0.11440 0.11440 DADL C2 3
2 3 2 8 1 5 1 0 0 0 0 0 0 -9.023400 -4.551900 14.790700 1XA 0 0.01440 0.01440 DADL C3 4
2 1 1 4 1 10 2 0 0 0 0 0 0 -9.422300 -4.103900 13.496100 1XA 0 0.07670 0.07670 DADL C4 5
25 2 2 19 1 0 0 0 0 0 0 0 0 -7.501600 -1.465600 14.472600 1XA 0 -0.85000 -0.85000 DADL N1 6
25 3 1 16 1 15 1 0 0 0 0 0 0 -7.570600 -3.589600 16.564899 1XA 0 -0.90000 -0.90000 DADL N2 7
2 4 1 11 1 9 2 0 0 0 0 0 0 -9.379300 -5.811700 15.472500 1XA 0 0.49460 0.49460 DADL C5 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.755900 -5.798400 16.645300 1XA 0 -0.57000 -0.57000 DADL O2 9
2 5 2 18 1 17 1 0 0 0 0 0 0 -10.265800 -4.669300 12.628100 1XA 0 -0.30000 -0.30000 DADL C6 10
3 8 1 14 1 13 1 12 1 0 0 0 0 -9.249600 -7.103700 14.710400 1XA 0 0.06100 0.06100 DADL C7 11
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.627000 -6.979100 13.820400 1XA 0 0.00000 0.00000 DADL H1 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.765900 -7.846800 15.351100 1XA 0 0.00000 0.00000 DADL H2 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.241400 -7.457500 14.418900 1XA 0 0.00000 0.00000 DADL H3 14
43 7 1 0 0 0 0 0 0 0 0 0 0 -8.073100 -4.086700 17.301901 1XA 0 0.40000 0.40000 DADL H4 15
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.356900 -2.620800 16.810101 1XA 0 0.40000 0.40000 DADL H5 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.778100 -5.603700 12.824500 1XA 0 0.15000 0.15000 DADL H6 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.480300 -4.183000 11.680500 1XA 0 0.15000 0.15000 DADL H7 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -7.639500 -0.943700 13.600200 1XA 0 0.40000 0.40000 DADL H8 19
22 [DAFKIE,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 9 1 0 0 0 0 0 0 -9.345200 -4.001300 14.313600 1XA 0 0.17900 0.17900 UNCH C1 1
2 1 2 3 1 12 1 0 0 0 0 0 0 -8.275400 -3.137500 14.565400 1XA 0 -0.15000 -0.15000 UNCH C2 2
2 2 1 4 2 13 1 0 0 0 0 0 0 -7.327100 -2.870700 13.573700 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 2 5 1 7 1 0 0 0 0 0 0 -7.447000 -3.451200 12.305300 1XA 0 -0.14350 -0.14350 UNCH C4 4
2 4 1 6 2 14 1 0 0 0 0 0 0 -8.516100 -4.318600 12.051800 1XA 0 -0.15000 -0.15000 UNCH C5 5
2 1 1 5 2 15 1 0 0 0 0 0 0 -9.462000 -4.582700 13.046200 1XA 0 -0.15000 -0.15000 UNCH C6 6
3 4 1 16 1 17 1 18 1 0 0 0 0 -6.411800 -3.193100 11.250700 1XA 0 0.14350 0.14350 UNCH C7 7
3 11 1 19 1 20 1 21 1 0 0 0 0 -11.679600 -4.623000 17.565701 1XA 0 0.30010 0.30010 UNCH C8 8
25 1 1 10 2 0 0 0 0 0 0 0 0 -10.306800 -4.236600 15.310800 1XA 0 -0.17900 -0.17900 UNCH N1 9
25 9 2 11 1 0 0 0 0 0 0 0 0 -10.136300 -5.366100 15.810800 1XA 0 -0.06200 -0.06200 UNCH N2 10
26 8 1 10 1 22 1 0 0 0 0 0 0 -11.051200 -5.661600 16.779600 1XA 0 -0.60810 -0.60810 UNCH N3 11
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.179500 -2.675700 15.544300 1XA 0 0.15000 0.15000 UNCH H2 12
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.496700 -2.205300 13.798400 1XA 0 0.15000 0.15000 UNCH H3 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.622300 -4.793000 11.078900 1XA 0 0.15000 0.15000 UNCH H5 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.295100 -5.249300 12.838900 1XA 0 0.15000 0.15000 UNCH H6 15
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41 7 1 0 0 0 0 0 0 0 0 0 0 -6.851800 -3.249000 10.249500 1XA 0 0.00000 0.00000 UNCH H73 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.342000 -5.103900 18.290100 1XA 0 0.00000 0.00000 UNCH H81 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.911500 -4.057200 18.099199 1XA 0 0.00000 0.00000 UNCH H82 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.273100 -3.968600 16.922300 1XA 0 0.00000 0.00000 UNCH H83 21
43 11 1 0 0 0 0 0 0 0 0 0 0 -10.785700 -6.506200 17.275900 1XA 0 0.37000 0.37000 UNCH H31 22
11 [DAFPUV,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 4 1 5 1 0 0 0 0 0 0 0 0 -8.062400 -5.777500 12.429000 1XA 0 0.24180 0.24180 DAFN O1 1
18 6 1 0 0 0 0 0 0 0 0 0 0 -9.679300 -2.805700 15.259200 1XA 0 -0.52000 -0.52000 DAFN O2 2
15 6 2 0 0 0 0 0 0 0 0 0 0 -9.981200 -2.310400 13.137100 1XA 0 -0.52000 -0.52000 DAFN O3 3
25 1 1 8 2 0 0 0 0 0 0 0 0 -8.812900 -4.601800 12.412100 1XA 0 -0.40970 -0.40970 DAFN N1 4
25 1 1 9 2 0 0 0 0 0 0 0 0 -7.645000 -6.095300 13.718700 1XA 0 -0.40970 -0.40970 DAFN N2 5
31 2 1 3 2 8 1 0 0 0 0 0 0 -9.544600 -3.031400 14.045500 1XA 0 0.96100 0.96100 DAFN N3 6
25 9 1 10 1 11 1 0 0 0 0 0 0 -7.921300 -5.066300 15.833600 1XA 0 -0.88300 -0.88300 DAFN N4 7
2 4 2 6 1 9 1 0 0 0 0 0 0 -8.832400 -4.219300 13.692700 1XA 0 0.36780 0.36780 DAFN C1 8
2 5 2 7 1 8 1 0 0 0 0 0 0 -8.120500 -5.124600 14.499800 1XA 0 0.37180 0.37180 DAFN C2 9
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.554500 -5.884400 16.311600 1XA 0 0.40000 0.40000 DAFN H1 10
43 7 1 0 0 0 0 0 0 0 0 0 0 -8.466700 -4.444800 16.429600 1XA 0 0.40000 0.40000 DAFN H2 11
26 [DAGTUA,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 2 7 2 10 1 11 1 0 0 0 0 -10.592600 -4.393400 15.842800 1XA 0 1.33280 1.33280 UNCH S1 1
49 4 2 8 2 9 1 12 1 0 0 0 0 -7.740500 -6.190400 14.421700 1XA 0 1.33280 1.33280 UNCH S2 2
16 9 1 13 1 0 0 0 0 0 0 0 0 -7.415200 -3.704700 13.878100 1XA 0 -0.19700 -0.19700 UNCH O1 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -6.361200 -6.308300 14.858200 1XA 0 -0.65000 -0.65000 UNCH O2 4
16 10 1 14 1 0 0 0 0 0 0 0 0 -9.860400 -3.111700 13.744900 1XA 0 -0.19700 -0.19700 UNCH O3 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -11.985100 -4.322400 15.439100 1XA 0 -0.65000 -0.65000 UNCH O4 6
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.134600 -5.419100 16.756599 1XA 0 -0.65000 -0.65000 UNCH O5 7
15 2 2 0 0 0 0 0 0 0 0 0 0 -8.748200 -7.123300 14.881100 1XA 0 -0.65000 -0.65000 UNCH O6 8
25 2 1 3 1 10 1 0 0 0 0 0 0 -8.259900 -4.543100 14.701100 1XA 0 -0.22100 -0.22100 UNCH N1 9
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3 1 1 15 1 16 1 17 1 0 0 0 0 -10.171400 -2.826800 16.584999 1XA 0 0.10520 0.10520 UNCH C1 11
3 2 1 18 1 19 1 20 1 0 0 0 0 -7.745400 -6.273900 12.639700 1XA 0 0.10520 0.10520 UNCH C2 12
3 3 1 21 1 22 1 23 1 0 0 0 0 -6.528600 -2.993900 14.737300 1XA 0 0.28000 0.28000 UNCH C3 13
3 5 1 24 1 25 1 26 1 0 0 0 0 -10.619300 -3.367500 12.566800 1XA 0 0.28000 0.28000 UNCH C4 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.101300 -2.802100 16.794100 1XA 0 0.00000 0.00000 UNCH H1 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.468800 -2.010600 15.925600 1XA 0 0.00000 0.00000 UNCH H2 16
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41 12 1 0 0 0 0 0 0 0 0 0 0 -7.455100 -7.289200 12.358000 1XA 0 0.00000 0.00000 UNCH H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.020800 -5.568100 12.232000 1XA 0 0.00000 0.00000 UNCH H6 20
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.093300 -2.316400 15.384400 1XA 0 0.00000 0.00000 UNCH H8 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.929900 -3.681000 15.342000 1XA 0 0.00000 0.00000 UNCH H9 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.857400 -2.408300 12.099500 1XA 0 0.00000 0.00000 UNCH H10 24
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23 [DAHBAP,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 4 1 17 1 0 0 0 0 0 0 0 0 -8.586200 -5.517100 15.933600 1XA 0 -0.43550 -0.43550 UNCH O1 1
15 10 2 0 0 0 0 0 0 0 0 0 0 -6.029600 -6.035100 15.190900 1XA 0 -0.57000 -0.57000 UNCH O2 2
15 11 2 0 0 0 0 0 0 0 0 0 0 -10.150900 -2.235000 15.469400 1XA 0 -0.57000 -0.57000 UNCH O3 3
25 1 1 6 1 10 1 0 0 0 0 0 0 -7.913800 -4.738500 14.967500 1XA 0 -0.13350 -0.13350 UNCH N1 4
25 11 1 12 1 13 1 0 0 0 0 0 0 -10.989700 -4.122400 14.439100 1XA 0 -0.66020 -0.66020 UNCH N2 5
2 4 1 7 2 11 1 0 0 0 0 0 0 -8.566100 -3.640300 14.463100 1XA 0 0.12340 0.12340 UNCH C6 6
2 6 2 8 1 14 1 0 0 0 0 0 0 -7.924500 -2.823700 13.609400 1XA 0 -0.15000 -0.15000 UNCH C5 7
2 7 1 9 2 15 1 0 0 0 0 0 0 -6.563300 -3.119400 13.216100 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 16 1 0 0 0 0 0 0 -5.917600 -4.184700 13.714500 1XA 0 -0.13560 -0.13560 UNCH C3 9
2 2 2 4 1 9 1 0 0 0 0 0 0 -6.608300 -5.076200 14.686400 1XA 0 0.61560 0.61560 UNCH C2 10
2 3 2 5 1 6 1 0 0 0 0 0 0 -9.960700 -3.283800 14.851400 1XA 0 0.61560 0.61560 UNCH C7 11
3 5 1 18 1 19 1 20 1 0 0 0 0 -12.327000 -3.880000 14.952000 1XA 0 0.30010 0.30010 UNCH C8 12
3 5 1 21 1 22 1 23 1 0 0 0 0 -10.806900 -5.361400 13.696800 1XA 0 0.30010 0.30010 UNCH C9 13
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.400300 -1.932500 13.210100 1XA 0 0.15000 0.15000 UNCH H3 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.076700 -2.449500 12.513600 1XA 0 0.15000 0.15000 UNCH H4 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -4.897600 -4.435500 13.454700 1XA 0 0.15000 0.15000 UNCH H5 16
42 1 1 0 0 0 0 0 0 0 0 0 0 -7.865100 -6.100000 16.251801 1XA 0 0.40000 0.40000 UNCH H1 17
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41 12 1 0 0 0 0 0 0 0 0 0 0 -12.409500 -2.914300 15.457200 1XA 0 0.00000 0.00000 UNCH H82 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -13.036600 -3.901800 14.119600 1XA 0 0.00000 0.00000 UNCH H83 20
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41 13 1 0 0 0 0 0 0 0 0 0 0 -10.827000 -6.198500 14.400400 1XA 0 0.00000 0.00000 UNCH H92 22
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26 [DAHNAB,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 2 1 3 1 4 1 5 1 0 0 0 0 -8.280900 -2.471600 15.757600 1XA 0 0.61160 0.61160 UNCH SI1 1
57 1 1 0 0 0 0 0 0 0 0 0 0 -10.080100 -1.475200 15.819100 1XA 0 -0.37010 -0.37010 UNCH CL1 2
3 1 1 6 1 7 1 8 1 0 0 0 0 -6.937000 -1.215800 15.484800 1XA 0 -0.08050 -0.08050 UNCH C1 3
3 1 1 9 1 10 1 14 1 0 0 0 0 -8.345000 -3.688000 14.308200 1XA 0 -0.08050 -0.08050 UNCH C2 4
3 1 1 11 1 12 1 13 1 0 0 0 0 -8.051700 -3.363700 17.370501 1XA 0 -0.08050 -0.08050 UNCH C3 5
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.911100 -0.483600 16.297701 1XA 0 0.00000 0.00000 UNCH H11 6
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.089600 -0.673100 14.546800 1XA 0 0.00000 0.00000 UNCH H12 7
41 3 1 0 0 0 0 0 0 0 0 0 0 -5.956200 -1.698900 15.437000 1XA 0 0.00000 0.00000 UNCH H13 8
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.353800 -4.151200 14.229900 1XA 0 0.00000 0.00000 UNCH H21 9
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.487600 -3.102400 13.391500 1XA 0 0.00000 0.00000 UNCH H22 10
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.874300 -4.059900 17.559900 1XA 0 0.00000 0.00000 UNCH H31 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.120200 -3.938000 17.369600 1XA 0 0.00000 0.00000 UNCH H32 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.009800 -2.659300 18.207001 1XA 0 0.00000 0.00000 UNCH H33 13
3 4 1 15 1 16 1 17 1 0 0 0 0 -9.423000 -4.779300 14.401800 1XA 0 -0.08050 -0.08050 UNCH C2A 14
60 14 1 18 1 19 1 20 1 0 0 0 0 -9.487200 -5.995700 12.952400 1XA 0 0.61160 0.61160 UNCH SI1A 15
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.414200 -4.316100 14.480100 1XA 0 0.00000 0.00000 UNCH H21A 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.280500 -5.364900 15.318400 1XA 0 0.00000 0.00000 UNCH H22A 17
57 15 1 0 0 0 0 0 0 0 0 0 0 -7.687900 -6.992100 12.890800 1XA 0 -0.37010 -0.37010 UNCH CL1A 18
3 15 1 21 1 22 1 23 1 0 0 0 0 -10.831100 -7.251600 13.225200 1XA 0 -0.08050 -0.08050 UNCH C1A 19
3 15 1 24 1 25 1 26 1 0 0 0 0 -9.716400 -5.103600 11.339500 1XA 0 -0.08050 -0.08050 UNCH C3A 20
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41 19 1 0 0 0 0 0 0 0 0 0 0 -10.678500 -7.794200 14.163200 1XA 0 0.00000 0.00000 UNCH H12A 22
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41 20 1 0 0 0 0 0 0 0 0 0 0 -10.647800 -4.529300 11.340400 1XA 0 0.00000 0.00000 UNCH H32A 25
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31 [DAJXER,31,31,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 8 1 15 1 0 0 0 0 0 0 -9.251800 -4.191100 15.558700 1XA 0 -0.58510 -0.58510 UNCH N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 -10.123000 -3.148300 15.795300 1XA 0 0.69000 0.69000 UNCH C2 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.974500 -3.170400 16.682899 1XA 0 -0.57000 -0.57000 UNCH O1 3
25 2 1 5 1 18 1 0 0 0 0 0 0 -10.018100 -2.050600 14.991900 1XA 0 -0.49000 -0.49000 UNCH N3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -9.349500 -1.914100 13.798000 1XA 0 0.57700 0.57700 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.503200 -0.875500 13.146400 1XA 0 -0.57000 -0.57000 UNCH O2 6
3 5 1 8 1 9 1 13 1 0 0 0 0 -8.411100 -3.080100 13.401900 1XA 0 0.05300 0.05300 UNCH C5 7
3 1 1 7 1 14 1 19 1 0 0 0 0 -8.280600 -4.226800 14.436100 1XA 0 0.22500 0.22500 UNCH C6 8
3 7 1 23 1 24 1 25 1 0 0 0 0 -7.026700 -2.551400 12.990500 1XA 0 0.00000 0.00000 UNCH C7 9
25 11 1 14 1 17 1 0 0 0 0 0 0 -9.787600 -6.013600 13.439600 1XA 0 -0.66410 -0.66410 UNCH N11 10
2 10 1 12 2 20 1 0 0 0 0 0 0 -10.763000 -5.250900 12.870200 1XA 0 0.44000 0.44000 UNCH C21 11
25 11 2 13 1 0 0 0 0 0 0 0 0 -10.421000 -4.158600 12.262300 1XA 0 -0.73700 -0.73700 UNCH N31 12
3 7 1 12 1 14 1 21 1 0 0 0 0 -8.948300 -4.096800 12.363200 1XA 0 0.28700 0.28700 UNCH C41 13
3 8 1 10 1 13 1 22 1 0 0 0 0 -8.565900 -5.264900 13.316700 1XA 0 0.24500 0.24500 UNCH C51 14
3 1 1 16 1 26 1 27 1 0 0 0 0 -9.378100 -5.401500 16.366899 1XA 0 0.30010 0.30010 UNCH C8 15
3 15 1 17 1 28 1 29 1 0 0 0 0 -10.423000 -6.361300 15.802900 1XA 0 0.00000 0.00000 UNCH C9 16
3 10 1 16 1 30 1 31 1 0 0 0 0 -9.992600 -6.993400 14.481700 1XA 0 0.36910 0.36910 UNCH C10 17
43 4 1 0 0 0 0 0 0 0 0 0 0 -10.686800 -1.320000 15.184400 1XA 0 0.37000 0.37000 UNCH H3 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.267800 -4.329400 14.848900 1XA 0 0.00000 0.00000 UNCH H6 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.801300 -5.599800 12.989200 1XA 0 0.06000 0.06000 UNCH H21 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.460400 -4.107300 11.383500 1XA 0 0.00000 0.00000 UNCH H41 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.711400 -5.870400 13.001400 1XA 0 0.00000 0.00000 UNCH H51 22
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341800 -3.364900 12.725700 1XA 0 0.00000 0.00000 UNCH H71 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.105800 -1.889300 12.121200 1XA 0 0.00000 0.00000 UNCH H72 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.570800 -1.983500 13.809000 1XA 0 0.00000 0.00000 UNCH H73 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.396400 -5.885000 16.431700 1XA 0 0.00000 0.00000 UNCH H81 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.662300 -5.118300 17.387100 1XA 0 0.00000 0.00000 UNCH H82 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.382000 -5.844500 15.676500 1XA 0 0.00000 0.00000 UNCH H91 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.588100 -7.164700 16.530600 1XA 0 0.00000 0.00000 UNCH H92 29
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.074100 -7.574900 14.626400 1XA 0 0.00000 0.00000 UNCH H101 30
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.761600 -7.705000 14.158600 1XA 0 0.00000 0.00000 UNCH H102 31
34 [DAKBAS,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
51 8 1 0 0 0 0 0 0 0 0 0 0 -10.196000 -5.894100 17.948299 1XA 0 -0.95000 -0.95000 DAKB S1 1
15 21 2 0 0 0 0 0 0 0 0 0 0 -6.162300 -5.556000 12.407500 1XA 0 -0.57000 -0.57000 DAKB O1 2
18 7 1 0 0 0 0 0 0 0 0 0 0 -9.619600 -5.930900 10.894100 1XA 0 -0.52000 -0.52000 DAKB O2 3
15 7 2 0 0 0 0 0 0 0 0 0 0 -11.422600 -4.731100 10.530000 1XA 0 -0.52000 -0.52000 DAKB O3 4
25 23 1 9 1 8 1 0 0 0 0 0 0 -8.064000 -6.017600 16.363701 1XA 0 -0.60000 -0.60000 DAKB N1 5
24 13 3 0 0 0 0 0 0 0 0 0 0 -12.581900 -5.290700 14.764900 1XA 0 -0.55710 -0.55710 DAKB N2 6
31 3 1 4 2 20 1 0 0 0 0 0 0 -10.330400 -4.933600 11.078900 1XA 0 0.90700 0.90700 DAKB N3 7
2 1 1 5 1 12 2 0 0 0 0 0 0 -9.437500 -5.823000 16.370001 1XA 0 0.05000 0.05000 DAKB C1 8
2 5 1 14 1 10 2 0 0 0 0 0 0 -7.265500 -6.230400 15.262300 1XA 0 -0.03820 -0.03820 DAKB C2 9
2 9 2 21 1 11 1 0 0 0 0 0 0 -7.797600 -6.044500 14.038700 1XA 0 -0.12380 -0.12380 DAKB C3 10
3 10 1 24 1 15 1 12 1 0 0 0 0 -9.234600 -5.576200 13.866400 1XA 0 0.41990 0.41990 DAKB C4 11
2 8 2 11 1 13 1 0 0 0 0 0 0 -10.046600 -5.613800 15.171800 1XA 0 -0.07320 -0.07320 DAKB C5 12
1 6 3 12 1 0 0 0 0 0 0 0 0 -11.460800 -5.440600 15.035800 1XA 0 0.49210 0.49210 DAKB C6 13
3 9 1 27 1 26 1 25 1 0 0 0 0 -5.858800 -6.679800 15.544300 1XA 0 0.13820 0.13820 DAKB C7 14
2 11 1 20 1 16 2 0 0 0 0 0 0 -9.282400 -4.176800 13.231300 1XA 0 -0.14350 -0.14350 DAKB C8 15
2 15 2 28 1 17 1 0 0 0 0 0 0 -8.786000 -3.083200 13.975600 1XA 0 -0.15000 -0.15000 DAKB C9 16
2 16 1 29 1 18 2 0 0 0 0 0 0 -8.830500 -1.777100 13.479500 1XA 0 -0.15000 -0.15000 DAKB C10 17
2 17 2 30 1 19 1 0 0 0 0 0 0 -9.372600 -1.521700 12.224200 1XA 0 -0.15000 -0.15000 DAKB C11 18
2 18 1 31 1 20 2 0 0 0 0 0 0 -9.867000 -2.575300 11.459600 1XA 0 -0.15000 -0.15000 DAKB C12 19
2 7 1 15 1 19 2 0 0 0 0 0 0 -9.816900 -3.889900 11.959400 1XA 0 0.13300 0.13300 DAKB C13 20
2 2 2 10 1 22 1 0 0 0 0 0 0 -7.010000 -6.345300 12.820500 1XA 0 0.49460 0.49460 DAKB C14 21
3 21 1 34 1 33 1 32 1 0 0 0 0 -7.256400 -7.670200 12.149300 1XA 0 0.06100 0.06100 DAKB C15 22
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.731600 -6.263400 17.293200 1XA 0 0.40000 0.40000 DAKB H1 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.724800 -6.311200 13.218900 1XA 0 0.00000 0.00000 DAKB H4 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.869900 -7.607700 16.126400 1XA 0 0.00000 0.00000 DAKB H17 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.272300 -6.869000 14.641500 1XA 0 0.00000 0.00000 DAKB H27 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.331000 -5.916500 16.126101 1XA 0 0.00000 0.00000 DAKB H37 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.367400 -3.245500 14.971200 1XA 0 0.15000 0.15000 DAKB H9 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -8.446100 -0.961000 14.087000 1XA 0 0.15000 0.15000 DAKB H10 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -9.411200 -0.504000 11.845300 1XA 0 0.15000 0.15000 DAKB H11 30
41 19 1 0 0 0 0 0 0 0 0 0 0 -10.288400 -2.368200 10.478100 1XA 0 0.15000 0.15000 DAKB H12 31
41 22 1 0 0 0 0 0 0 0 0 0 0 -7.330600 -7.521100 11.069100 1XA 0 0.00000 0.00000 DAKB H115 32
41 22 1 0 0 0 0 0 0 0 0 0 0 -8.186800 -8.125200 12.499600 1XA 0 0.00000 0.00000 DAKB H215 33
41 22 1 0 0 0 0 0 0 0 0 0 0 -6.426000 -8.344700 12.373900 1XA 0 0.00000 0.00000 DAKB H315 34
20 [DAKCEX,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 9 2 2 1 0 0 0 0 0 0 0 0 -9.381100 -7.312000 15.445100 1XA 0 -0.33810 -0.33810 DAKC N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -10.304900 -7.472400 16.446899 1XA 0 0.00000 0.00000 DAKC N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -10.848200 -6.315100 16.784901 1XA 0 -0.41800 -0.41800 DAKC N3 3
25 3 1 9 1 5 1 0 0 0 0 0 0 -10.268300 -5.408900 15.994300 1XA 0 0.77160 0.77160 DAKC N4 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -10.575000 -4.091000 16.051701 1XA 0 -0.65200 -0.65200 DAKC N5 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -9.911400 -3.356100 15.207700 1XA 0 0.57480 0.57480 DAKC C6 6
2 6 1 10 2 8 1 0 0 0 0 0 0 -8.884600 -3.881900 14.235500 1XA 0 0.08620 0.08620 DAKC C7 7
2 7 1 13 2 9 1 0 0 0 0 0 0 -8.608800 -5.259300 14.222500 1XA 0 0.00000 0.00000 DAKC C8 8
2 1 2 4 1 8 1 0 0 0 0 0 0 -9.341800 -6.018400 15.144200 1XA 0 0.18650 0.18650 DAKC C9 9
2 7 2 20 1 11 1 0 0 0 0 0 0 -8.199300 -3.045800 13.348400 1XA 0 -0.15000 -0.15000 DAKC C10 10
2 10 1 19 1 12 2 0 0 0 0 0 0 -7.256100 -3.587500 12.467100 1XA 0 -0.15000 -0.15000 DAKC C11 11
2 11 2 18 1 13 1 0 0 0 0 0 0 -6.989900 -4.960600 12.463300 1XA 0 -0.15000 -0.15000 DAKC C12 12
2 8 2 12 1 17 1 0 0 0 0 0 0 -7.663500 -5.808300 13.340500 1XA 0 -0.15000 -0.15000 DAKC C13 13
25 6 1 15 2 0 0 0 0 0 0 0 0 -10.120400 -2.000300 15.155000 1XA 0 -0.52890 -0.52890 DAKC N14 14
204 14 2 16 2 0 0 0 0 0 0 0 0 -10.967800 -1.569600 15.957800 1XA 0 0.68790 0.68790 DAKC N15 15
201 15 2 0 0 0 0 0 0 0 0 0 0 -11.736800 -1.131900 16.677200 1XA 0 -0.37000 -0.37000 DAKC N16 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.456900 -6.876700 13.338100 1XA 0 0.15000 0.15000 DAKC H1 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.254100 -5.368100 11.772800 1XA 0 0.15000 0.15000 DAKC H2 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.724000 -2.934400 11.777600 1XA 0 0.15000 0.15000 DAKC H3 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.384500 -1.974300 13.327700 1XA 0 0.15000 0.15000 DAKC H4 20
36 [DAKDOI,36,36,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 18 1 22 2 0 0 0 0 0 0 1.575500 -3.362600 7.883300 1XA 0 0.54380 0.54380 UNCH C1 1
2 1 1 3 2 7 1 0 0 0 0 0 0 1.493500 -2.094300 7.114100 1XA 0 0.08620 0.08620 UNCH C2 2
2 2 2 4 1 26 1 0 0 0 0 0 0 1.570700 -0.870200 7.789500 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 1 5 2 27 1 0 0 0 0 0 0 1.491400 0.326400 7.074600 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 6 1 17 1 0 0 0 0 0 0 1.330900 0.296100 5.690300 1XA 0 0.17700 0.17700 UNCH C5 5
2 5 1 7 2 28 1 0 0 0 0 0 0 1.246000 -0.920200 5.010200 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 2 1 6 2 8 1 0 0 0 0 0 0 1.328200 -2.130000 5.719000 1XA 0 -0.14350 -0.14350 UNCH C7 7
3 7 1 9 1 19 1 29 1 0 0 0 0 1.208400 -3.464600 5.002100 1XA 0 0.51260 0.51260 UNCH C8 8
3 8 1 10 1 30 1 31 1 0 0 0 0 -0.263100 -3.865000 4.869900 1XA 0 0.06100 0.06100 UNCH C9 9
2 9 1 23 2 24 1 0 0 0 0 0 0 -0.415200 -5.094300 4.030400 1XA 0 0.65900 0.65900 UNCH C10 10
2 12 1 16 2 19 1 0 0 0 0 0 0 3.304300 -4.745500 5.408200 1XA 0 0.10000 0.10000 UNCH C11 11
2 11 1 13 2 32 1 0 0 0 0 0 0 3.643200 -4.987700 4.065500 1XA 0 -0.15000 -0.15000 UNCH C12 12
2 12 2 14 1 33 1 0 0 0 0 0 0 4.955100 -5.259200 3.648600 1XA 0 -0.15000 -0.15000 UNCH C13 13
2 13 1 15 2 25 1 0 0 0 0 0 0 5.949800 -5.300200 4.628300 1XA 0 0.04000 0.04000 UNCH C14 14
2 14 2 16 1 20 1 0 0 0 0 0 0 5.673000 -5.089900 5.979100 1XA 0 0.22720 0.22720 UNCH C15 15
2 11 2 15 1 34 1 0 0 0 0 0 0 4.339600 -4.821500 6.361600 1XA 0 -0.15000 -0.15000 UNCH C16 16
57 5 1 0 0 0 0 0 0 0 0 0 0 1.229400 1.770300 4.809700 1XA 0 -0.17700 -0.17700 UNCH CL1 17
25 1 1 19 1 35 1 0 0 0 0 0 0 1.683100 -4.523600 7.146300 1XA 0 -0.41000 -0.41000 UNCH N1 18
25 8 1 11 1 18 1 0 0 0 0 0 0 1.956000 -4.495400 5.766300 1XA 0 -0.48910 -0.48910 UNCH N2 19
25 15 1 21 2 0 0 0 0 0 0 0 0 6.776000 -5.171400 6.822500 1XA 0 -0.22720 -0.22720 UNCH N3 20
25 20 2 25 1 0 0 0 0 0 0 0 0 7.887800 -5.436600 6.158700 1XA 0 -0.22070 -0.22070 UNCH N4 21
15 1 2 0 0 0 0 0 0 0 0 0 0 1.538300 -3.370400 9.107900 1XA 0 -0.57000 -0.57000 UNCH O1 22
15 10 2 0 0 0 0 0 0 0 0 0 0 -1.011300 -6.111300 4.341800 1XA 0 -0.57000 -0.57000 UNCH O2 23
16 10 1 36 1 0 0 0 0 0 0 0 0 0.110000 -4.968100 2.796100 1XA 0 -0.65000 -0.65000 UNCH O3 24
49 14 1 21 1 0 0 0 0 0 0 0 0 7.642100 -5.597300 4.514200 1XA 0 0.18070 0.18070 UNCH S1 25
41 3 1 0 0 0 0 0 0 0 0 0 0 1.694900 -0.847300 8.870800 1XA 0 0.15000 0.15000 UNCH H3 26
41 4 1 0 0 0 0 0 0 0 0 0 0 1.555000 1.274300 7.603100 1XA 0 0.15000 0.15000 UNCH H4 27
41 6 1 0 0 0 0 0 0 0 0 0 0 1.116100 -0.923200 3.930000 1XA 0 0.15000 0.15000 UNCH H6 28
41 8 1 0 0 0 0 0 0 0 0 0 0 1.635000 -3.335700 4.000800 1XA 0 0.00000 0.00000 UNCH H8 29
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.856800 -3.069100 4.403900 1XA 0 0.00000 0.00000 UNCH H91 30
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.716900 -4.063500 5.848600 1XA 0 0.00000 0.00000 UNCH H92 31
41 12 1 0 0 0 0 0 0 0 0 0 0 2.868700 -4.999700 3.300500 1XA 0 0.15000 0.15000 UNCH H12 32
41 13 1 0 0 0 0 0 0 0 0 0 0 5.182700 -5.442600 2.603300 1XA 0 0.15000 0.15000 UNCH H13 33
41 16 1 0 0 0 0 0 0 0 0 0 0 4.155500 -4.657000 7.418200 1XA 0 0.15000 0.15000 UNCH H16 34
43 18 1 0 0 0 0 0 0 0 0 0 0 1.786500 -5.413000 7.626100 1XA 0 0.37000 0.37000 UNCH H10 35
42 24 1 0 0 0 0 0 0 0 0 0 0 -0.123500 -5.818500 2.362300 1XA 0 0.50000 0.50000 UNCH H30 36
17 [DANCUQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 2 1 3 1 10 1 11 1 0 0 0 0 -8.884000 -4.234800 14.354900 1XA 0 1.32000 1.32000 DAKF SI1 1
49 1 1 4 1 0 0 0 0 0 0 0 0 -10.035200 -5.573800 13.197500 1XA 0 -0.56000 -0.56000 DAKF S1 2
49 1 1 5 1 0 0 0 0 0 0 0 0 -10.044700 -2.895800 15.502900 1XA 0 -0.56000 -0.56000 DAKF S2 3
3 2 1 6 1 7 1 12 1 0 0 0 0 -9.099400 -7.089200 13.619300 1XA 0 0.23000 0.23000 DAKF C1 4
3 3 1 8 1 9 1 13 1 0 0 0 0 -9.105500 -1.380500 15.088800 1XA 0 0.23000 0.23000 DAKF C2 5
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.225900 -7.160300 12.960600 1XA 0 0.00000 0.00000 DAKF H11 6
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.734000 -7.957400 13.414800 1XA 0 0.00000 0.00000 DAKF H12 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.237400 -1.309400 15.754700 1XA 0 0.00000 0.00000 DAKF H21 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.741800 -0.512200 15.288100 1XA 0 0.00000 0.00000 DAKF H22 9
49 1 1 12 1 0 0 0 0 0 0 0 0 -7.732700 -5.573800 15.512400 1XA 0 -0.56000 -0.56000 DAKF S1B 10
49 1 1 13 1 0 0 0 0 0 0 0 0 -7.723200 -2.895800 13.207000 1XA 0 -0.56000 -0.56000 DAKF S2B 11
3 4 1 10 1 14 1 15 1 0 0 0 0 -8.668500 -7.089200 15.090600 1XA 0 0.23000 0.23000 DAKF C1B 12
3 5 1 11 1 16 1 17 1 0 0 0 0 -8.662500 -1.380500 13.621100 1XA 0 0.23000 0.23000 DAKF C2B 13
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.542000 -7.160300 15.749300 1XA 0 0.00000 0.00000 DAKF H11B 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.033900 -7.957400 15.295100 1XA 0 0.00000 0.00000 DAKF H12B 15
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.530600 -1.309400 12.955200 1XA 0 0.00000 0.00000 DAKF H21B 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.026200 -0.512200 13.421800 1XA 0 0.00000 0.00000 DAKF H22B 17
29 [DAPSUO03,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 12 1 6 1 3 2 2 2 0 0 0 0 -6.493700 -5.895900 13.597700 1XA 0 1.31800 1.31800 DAPS S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.396800 -6.076500 12.160100 1XA 0 -0.65000 -0.65000 DAPS O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -5.423100 -6.349800 14.467300 1XA 0 -0.65000 -0.65000 DAPS O2 3
25 27 1 26 1 9 1 0 0 0 0 0 0 -11.504800 -8.660900 15.298100 1XA 0 -0.90000 -0.90000 DAPS N1 4
25 29 1 28 1 15 1 0 0 0 0 0 0 -7.142200 -0.054700 14.650400 1XA 0 -0.90000 -0.90000 DAPS N2 5
2 1 1 11 2 7 1 0 0 0 0 0 0 -7.994900 -6.689700 14.124800 1XA 0 -0.00900 -0.00900 DAPS C1 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.046900 -7.331700 15.362700 1XA 0 -0.15000 -0.15000 DAPS C2 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -9.229900 -7.961300 15.759100 1XA 0 -0.15000 -0.15000 DAPS C3 8
2 4 1 8 1 10 2 0 0 0 0 0 0 -10.368000 -7.926700 14.946400 1XA 0 0.10000 0.10000 DAPS C4 9
2 9 2 20 1 11 1 0 0 0 0 0 0 -10.273800 -7.341100 13.679500 1XA 0 -0.15000 -0.15000 DAPS C5 10
2 6 2 10 1 21 1 0 0 0 0 0 0 -9.098000 -6.707500 13.269300 1XA 0 -0.15000 -0.15000 DAPS C6 11
2 1 1 17 1 13 2 0 0 0 0 0 0 -6.723700 -4.161100 13.912700 1XA 0 -0.00900 -0.00900 DAPS C7 12
2 12 2 22 1 14 1 0 0 0 0 0 0 -6.504800 -3.662800 15.198200 1XA 0 -0.15000 -0.15000 DAPS C8 13
2 13 1 23 1 15 2 0 0 0 0 0 0 -6.674900 -2.297600 15.442700 1XA 0 -0.15000 -0.15000 DAPS C9 14
2 5 1 14 2 16 1 0 0 0 0 0 0 -7.092600 -1.433800 14.424900 1XA 0 0.10000 0.10000 DAPS C10 15
2 15 1 24 1 17 2 0 0 0 0 0 0 -7.236500 -1.939500 13.128600 1XA 0 -0.15000 -0.15000 DAPS C11 16
2 12 1 16 2 25 1 0 0 0 0 0 0 -7.070200 -3.302500 12.868600 1XA 0 -0.15000 -0.15000 DAPS C12 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.177000 -7.366200 16.014500 1XA 0 0.15000 0.15000 DAPS H1 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.254500 -8.487600 16.710300 1XA 0 0.15000 0.15000 DAPS H2 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.118600 -7.380400 12.996200 1XA 0 0.15000 0.15000 DAPS H3 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.048000 -6.254600 12.281900 1XA 0 0.15000 0.15000 DAPS H4 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.183800 -4.317300 16.005199 1XA 0 0.15000 0.15000 DAPS H5 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.471100 -1.909900 16.437901 1XA 0 0.15000 0.15000 DAPS H6 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -7.474700 -1.270500 12.305200 1XA 0 0.15000 0.15000 DAPS H7 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -7.193900 -3.673500 11.853800 1XA 0 0.15000 0.15000 DAPS H8 25
43 4 1 0 0 0 0 0 0 0 0 0 0 -12.357700 -8.353800 14.841300 1XA 0 0.40000 0.40000 DAPS H9 26
43 4 1 0 0 0 0 0 0 0 0 0 0 -11.625800 -8.789100 16.297800 1XA 0 0.40000 0.40000 DAPS H10 27
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.723100 0.454900 13.992100 1XA 0 0.40000 0.40000 DAPS H11 28
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.330600 0.204100 15.613700 1XA 0 0.40000 0.40000 DAPS H12 29
30 [DARDEF,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 8 1 17 1 18 1 0 0 0 0 -8.109800 -4.658300 11.267200 1XA 0 0.23000 0.23000 UNCH C1 1
49 1 1 3 1 0 0 0 0 0 0 0 0 -6.718800 -5.485500 12.094900 1XA 0 -0.37100 -0.37100 UNCH S2 2
2 2 1 4 1 9 2 0 0 0 0 0 0 -7.199000 -4.902400 13.691800 1XA 0 0.64100 0.64100 UNCH C3 3
25 3 1 5 1 8 1 0 0 0 0 0 0 -8.250200 -4.031900 13.583700 1XA 0 -0.78820 -0.78820 UNCH N4 4
3 4 1 6 1 11 1 19 1 0 0 0 0 -8.445200 -2.971300 14.567500 1XA 0 0.78010 0.78010 UNCH C5 5
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39 [DARPOB10,39,39,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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60 1 1 7 1 6 1 5 1 0 0 0 0 -8.863800 -5.323400 16.819500 1XA 0 0.59050 0.59050 A1 SI1 2
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2 12 1 14 2 25 1 0 0 0 0 0 0 -9.128100 -0.944300 15.866300 1XA 0 -0.15000 -0.15000 UNCH C51 13
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24 [DARZEB,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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25 1 2 3 1 0 0 0 0 0 0 0 0 -6.486200 -4.472400 13.631000 1XA 0 -0.06200 -0.06200 UNCH N2 2
26 2 1 4 1 11 1 0 0 0 0 0 0 -7.613400 -4.150600 12.917300 1XA 0 -0.53820 -0.53820 UNCH N3 3
3 3 1 5 1 13 1 19 1 0 0 0 0 -8.854600 -4.849200 13.176200 1XA 0 0.72360 0.72360 UNCH C4 4
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3 3 1 7 1 11 1 14 1 0 0 0 0 -9.970300 -3.186300 14.382100 1XA 0 0.30120 0.30120 DASR C6 8
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21 [DAWXII,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 5 1 4 1 2 2 0 0 0 0 0 0 -8.053700 -4.575400 14.117100 1XA 0 -0.04000 -0.04000 DAWX C1 1
2 1 2 7 1 3 1 0 0 0 0 0 0 -9.197200 -4.490100 14.838000 1XA 0 -0.20500 -0.20500 DAWX C2 2
3 2 1 12 1 11 1 4 1 0 0 0 0 -9.396600 -5.971400 14.990600 1XA 0 0.73400 0.73400 DAWX C3 3
3 1 1 3 1 14 1 13 1 0 0 0 0 -8.117000 -6.138800 14.111600 1XA 0 0.73400 0.73400 DAWX C4 4
25 1 1 15 1 6 1 0 0 0 0 0 0 -7.181700 -3.750200 13.578300 1XA 0 -0.86710 -0.86710 DAWX N5 5
3 5 1 18 1 17 1 16 1 0 0 0 0 -6.128600 -4.171500 12.675400 1XA 0 0.36910 0.36910 DAWX C6 6
31 2 1 10 1 8 2 0 0 0 0 0 0 -9.898300 -3.354300 15.289600 1XA 0 0.90700 0.90700 DAWX N7 7
25 7 2 9 1 0 0 0 0 0 0 0 0 -10.913300 -3.551900 16.021299 1XA 0 -0.45300 -0.45300 DAWX N8 8
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56 3 1 0 0 0 0 0 0 0 0 0 0 -10.531900 -6.505500 14.466600 1XA 0 -0.29800 -0.29800 DAWX F11 11
56 3 1 0 0 0 0 0 0 0 0 0 0 -9.309400 -6.487300 16.245600 1XA 0 -0.29800 -0.29800 DAWX F12 12
56 4 1 0 0 0 0 0 0 0 0 0 0 -8.302400 -6.741800 12.906400 1XA 0 -0.29800 -0.29800 DAWX F13 13
56 4 1 0 0 0 0 0 0 0 0 0 0 -7.083300 -6.803100 14.694100 1XA 0 -0.29800 -0.29800 DAWX F14 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.356700 -2.740400 13.584900 1XA 0 0.40000 0.40000 DAWX H5 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.549800 -4.502100 11.720700 1XA 0 0.00000 0.00000 DAWX H61 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.539700 -4.986700 13.108200 1XA 0 0.00000 0.00000 DAWX H62 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.452500 -3.333500 12.480200 1XA 0 0.00000 0.00000 DAWX H63 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.882900 -1.669600 17.012199 1XA 0 0.00000 0.00000 DAWX H91 19
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17 [DAWYUV,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 5 1 0 0 0 0 0 0 0 0 0 0 -8.270600 -1.259500 14.647400 1XA 0 -0.14000 -0.14000 DAWX CL1 1
16 3 1 10 1 0 0 0 0 0 0 0 0 -8.059600 -5.721000 15.439100 1XA 0 -0.23250 -0.23250 DAWX O1 2
2 2 1 4 1 12 2 0 0 0 0 0 0 -7.313300 -4.853200 16.217899 1XA 0 0.70560 0.70560 DAWX C2 3
2 3 1 5 2 13 1 0 0 0 0 0 0 -7.421100 -3.422700 15.916500 1XA 0 -0.13560 -0.13560 DAWX C3 4
2 1 1 4 2 11 1 0 0 0 0 0 0 -8.201200 -2.960400 14.936200 1XA 0 0.11160 0.11160 DAWX C4 5
2 7 2 11 1 14 1 0 0 0 0 0 0 -9.832400 -3.498500 13.069100 1XA 0 -0.15000 -0.15000 DAWX C5 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -10.547400 -4.455400 12.338200 1XA 0 -0.15000 -0.15000 DAWX C6 7
2 7 1 9 2 16 1 0 0 0 0 0 0 -10.427800 -5.810500 12.644500 1XA 0 -0.15000 -0.15000 DAWX C7 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.592900 -6.212800 13.682300 1XA 0 -0.15000 -0.15000 DAWX C8 9
2 2 1 9 1 11 2 0 0 0 0 0 0 -8.887000 -5.247900 14.401500 1XA 0 0.08250 0.08250 DAWX C9 10
2 5 1 6 1 10 2 0 0 0 0 0 0 -8.986800 -3.884400 14.117700 1XA 0 0.02840 0.02840 DAWX C10 11
15 3 2 0 0 0 0 0 0 0 0 0 0 -6.588300 -5.246000 17.124399 1XA 0 -0.57000 -0.57000 DAWX O11 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.825900 -2.768900 16.542200 1XA 0 0.15000 0.15000 DAWX H3 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.953900 -2.452300 12.798100 1XA 0 0.15000 0.15000 DAWX H5 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.199800 -4.139200 11.527000 1XA 0 0.15000 0.15000 DAWX H6 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.984800 -6.550000 12.074400 1XA 0 0.15000 0.15000 DAWX H7 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.492000 -7.265800 13.929700 1XA 0 0.15000 0.15000 DAWX H8 17
27 [DAYWEF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 3 1 4 1 5 1 6 2 0 0 0 0 -7.154800 -4.062300 14.312100 1XA 0 1.51360 1.51360 UNCH P1 1
53 3 1 10 1 11 1 12 2 0 0 0 0 -9.826100 -4.185500 15.129800 1XA 0 1.51360 1.51360 UNCH P2 2
16 1 1 2 1 0 0 0 0 0 0 0 0 -8.701600 -4.281500 14.007400 1XA 0 -0.54240 -0.54240 UNCH O2 3
16 1 1 9 1 0 0 0 0 0 0 0 0 -6.725700 -5.246600 15.307800 1XA 0 -0.55120 -0.55120 UNCH O11 4
16 1 1 7 1 0 0 0 0 0 0 0 0 -6.450400 -4.495900 12.925800 1XA 0 -0.55120 -0.55120 UNCH O13 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.795000 -2.681000 14.753600 1XA 0 -0.70000 -0.70000 UNCH O14 6
3 5 1 8 1 16 1 17 1 0 0 0 0 -6.609100 -5.836500 12.498500 1XA 0 0.28000 0.28000 UNCH C14 7
3 7 1 9 1 18 1 19 1 0 0 0 0 -6.118200 -6.798300 13.568700 1XA 0 0.00000 0.00000 UNCH C15 8
3 4 1 8 1 20 1 21 1 0 0 0 0 -6.880900 -6.581800 14.865500 1XA 0 0.28000 0.28000 UNCH C16 9
16 2 1 15 1 0 0 0 0 0 0 0 0 -11.193900 -4.247100 14.274400 1XA 0 -0.55120 -0.55120 UNCH O21 10
16 2 1 13 1 0 0 0 0 0 0 0 0 -9.806900 -2.666300 15.649500 1XA 0 -0.55120 -0.55120 UNCH O23 11
15 2 2 0 0 0 0 0 0 0 0 0 0 -9.741700 -5.235000 16.189899 1XA 0 -0.70000 -0.70000 UNCH O24 12
3 11 1 14 1 22 1 23 1 0 0 0 0 -10.059500 -1.635700 14.713300 1XA 0 0.28000 0.28000 UNCH C24 13
3 13 1 15 1 24 1 25 1 0 0 0 0 -11.405000 -1.854300 14.040700 1XA 0 0.00000 0.00000 UNCH C25 14
3 10 1 14 1 26 1 27 1 0 0 0 0 -11.436400 -3.206100 13.345700 1XA 0 0.28000 0.28000 UNCH C26 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.660900 -6.017100 12.252300 1XA 0 0.00000 0.00000 UNCH H141 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.026600 -5.969200 11.581600 1XA 0 0.00000 0.00000 UNCH H142 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.226600 -7.833500 13.230400 1XA 0 0.00000 0.00000 UNCH H151 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.054400 -6.604100 13.751900 1XA 0 0.00000 0.00000 UNCH H152 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.491600 -7.244100 15.644800 1XA 0 0.00000 0.00000 UNCH H161 20
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41 13 1 0 0 0 0 0 0 0 0 0 0 -10.059200 -0.682500 15.250700 1XA 0 0.00000 0.00000 UNCH H241 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.250900 -1.602500 13.976200 1XA 0 0.00000 0.00000 UNCH H242 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.608600 -1.052100 13.324600 1XA 0 0.00000 0.00000 UNCH H251 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -12.187100 -1.838200 14.809400 1XA 0 0.00000 0.00000 UNCH H252 25
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41 15 1 0 0 0 0 0 0 0 0 0 0 -12.421900 -3.374400 12.900600 1XA 0 0.00000 0.00000 UNCH H262 27
27 [DAZVEF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 3 1 13 1 0 0 0 0 0 0 -8.008600 -4.683800 13.744000 1XA 0 0.57000 0.57000 UNCH C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.132800 -5.236500 13.090300 1XA 0 -0.57000 -0.57000 UNCH O1 2
3 1 1 4 1 5 1 6 1 0 0 0 0 -9.441100 -4.660900 13.299100 1XA 0 0.00000 0.00000 UNCH C2 3
3 3 1 5 1 16 1 17 1 0 0 0 0 -9.710300 -4.652600 11.794800 1XA 0 -0.20000 -0.20000 UNCH C3 4
3 3 1 4 1 18 1 19 1 0 0 0 0 -9.981700 -5.897700 12.583300 1XA 0 -0.20000 -0.20000 UNCH C4 5
2 3 1 7 2 8 1 0 0 0 0 0 0 -10.400200 -3.937400 14.193800 1XA 0 0.57000 0.57000 UNCH C5 6
15 6 2 0 0 0 0 0 0 0 0 0 0 -11.333400 -3.278800 13.753600 1XA 0 -0.57000 -0.57000 UNCH O2 7
3 6 1 9 1 10 1 11 1 0 0 0 0 -10.167000 -4.108800 15.663600 1XA 0 0.00000 0.00000 UNCH C6 8
3 8 1 10 1 20 1 21 1 0 0 0 0 -11.194900 -3.523400 16.630899 1XA 0 -0.20000 -0.20000 UNCH C7 9
3 8 1 9 1 22 1 23 1 0 0 0 0 -11.155800 -5.004700 16.407900 1XA 0 -0.20000 -0.20000 UNCH C8 10
2 8 1 12 2 13 1 0 0 0 0 0 0 -8.734500 -4.131600 16.108801 1XA 0 0.57000 0.57000 UNCH C9 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -8.420800 -4.256800 17.285999 1XA 0 -0.57000 -0.57000 UNCH O3 12
3 1 1 11 1 14 1 15 1 0 0 0 0 -7.711000 -3.974100 15.028000 1XA 0 0.00000 0.00000 UNCH C10 13
3 13 1 15 1 24 1 25 1 0 0 0 0 -6.249700 -3.785300 15.432500 1XA 0 -0.20000 -0.20000 UNCH C11 14
3 13 1 14 1 26 1 27 1 0 0 0 0 -7.025700 -2.612400 14.920400 1XA 0 -0.20000 -0.20000 UNCH C12 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.863600 -4.658300 11.115800 1XA 0 0.10000 0.10000 UNCH H1 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.560800 -4.092600 11.419900 1XA 0 0.10000 0.10000 UNCH H2 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.018800 -6.177500 12.735300 1XA 0 0.10000 0.10000 UNCH H3 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.317600 -6.742800 12.431800 1XA 0 0.10000 0.10000 UNCH H4 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -12.036400 -2.970200 16.226500 1XA 0 0.10000 0.10000 UNCH H5 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.850800 -3.146800 17.588900 1XA 0 0.10000 0.10000 UNCH H6 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.976400 -5.449200 15.854700 1XA 0 0.10000 0.10000 UNCH H7 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.787100 -5.625100 17.218500 1XA 0 0.10000 0.10000 UNCH H8 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.995700 -3.808700 16.487400 1XA 0 0.10000 0.10000 UNCH H9 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.476500 -4.203600 14.796100 1XA 0 0.10000 0.10000 UNCH H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.768300 -2.234000 13.936500 1XA 0 0.10000 0.10000 UNCH H11 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.289200 -1.837800 15.633200 1XA 0 0.10000 0.10000 UNCH H12 27
11 [DEBMOM01,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 5 2 0 0 0 0 0 0 0 0 0 0 14.478900 1.257500 0.336300 1XA 0 -0.57000 -0.57000 DEBM O1 1
16 5 1 9 1 0 0 0 0 0 0 0 0 14.571400 3.452000 0.789100 1XA 0 -0.65000 -0.65000 DEBM O2 2
18 8 1 0 0 0 0 0 0 0 0 0 0 15.370600 4.747500 2.628200 1XA 0 -0.90000 -0.90000 DEBM O3 3
15 8 2 0 0 0 0 0 0 0 0 0 0 16.355801 4.507400 4.679800 1XA 0 -0.90000 -0.90000 DEBM O4 4
2 1 2 2 1 6 1 0 0 0 0 0 0 14.789200 2.168700 1.098200 1XA 0 0.70560 0.70560 DEBM C1 5
2 5 1 7 2 10 1 0 0 0 0 0 0 15.422200 1.850300 2.397100 1XA 0 -0.13560 -0.13560 DEBM C2 6
2 6 2 8 1 11 1 0 0 0 0 0 0 15.865600 2.595300 3.420500 1XA 0 -0.40000 -0.40000 DEBM C3 7
2 3 1 4 2 7 1 0 0 0 0 0 0 15.864600 4.102500 3.595400 1XA 0 1.05000 1.05000 DEBM C4 8
42 2 1 0 0 0 0 0 0 0 0 0 0 14.874500 4.088700 1.503700 1XA 0 0.50000 0.50000 DEBM H1 9
41 6 1 0 0 0 0 0 0 0 0 0 0 15.532500 0.772800 2.503400 1XA 0 0.15000 0.15000 DEBM H2 10
41 7 1 0 0 0 0 0 0 0 0 0 0 16.299400 2.076300 4.275200 1XA 0 0.15000 0.15000 DEBM H3 11
21 [DECJAW,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 2 1 9 1 0 0 0 0 0 0 0 0 0.352000 3.206600 5.145800 1XA 0 -0.01910 -0.01910 UNCH O1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -0.862700 3.825300 5.449100 1XA 0 -0.40970 -0.40970 UNCH N2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -1.063400 4.696300 4.462800 1XA 0 0.35080 0.35080 UNCH C3 3
2 3 1 5 1 9 2 0 0 0 0 0 0 -0.024100 4.717700 3.531300 1XA 0 -0.18100 -0.18100 UNCH C31 4
3 4 1 6 1 14 1 15 1 0 0 0 0 0.297000 5.513700 2.328700 1XA 0 0.18100 0.18100 UNCH C4 5
3 5 1 7 1 16 1 17 1 0 0 0 0 1.830300 5.609000 2.163500 1XA 0 0.50300 0.50300 UNCH C5 6
32 6 1 8 1 18 1 19 1 0 0 0 0 2.485000 4.277200 2.232600 1XA 0 -0.90600 -0.90600 UNCH N6 7
3 7 1 9 1 10 1 20 1 0 0 0 0 2.139000 3.339800 3.446800 1XA 0 0.57700 0.57700 UNCH C7 8
2 1 1 4 2 8 1 0 0 0 0 0 0 0.826900 3.743500 3.997800 1XA 0 -0.04000 -0.04000 UNCH C71 9
2 8 1 11 2 12 1 0 0 0 0 0 0 2.063600 1.883400 2.883200 1XA 0 0.90600 0.90600 UNCH C8 10
15 10 2 0 0 0 0 0 0 0 0 0 0 1.959500 1.933200 1.606800 1XA 0 -0.90000 -0.90000 UNCH O81 11
18 10 1 0 0 0 0 0 0 0 0 0 0 2.218800 0.931500 3.676000 1XA 0 -0.90000 -0.90000 UNCH O82 12
16 3 1 21 1 0 0 0 0 0 0 0 0 -2.179000 5.430400 4.511800 1XA 0 -0.51200 -0.51200 UNCH O3 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.140900 5.033600 1.445600 1XA 0 0.00000 0.00000 UNCH H41 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.125300 6.521500 2.403900 1XA 0 0.00000 0.00000 UNCH H45 15
41 6 1 0 0 0 0 0 0 0 0 0 0 2.278600 6.216100 2.957900 1XA 0 0.00000 0.00000 UNCH H51 16
41 6 1 0 0 0 0 0 0 0 0 0 0 2.092200 6.044800 1.194800 1XA 0 0.00000 0.00000 UNCH H55 17
44 7 1 0 0 0 0 0 0 0 0 0 0 2.165400 3.635000 1.458600 1XA 0 0.45000 0.45000 UNCH H61 18
44 7 1 0 0 0 0 0 0 0 0 0 0 3.501700 4.277900 2.115700 1XA 0 0.45000 0.45000 UNCH H65 19
41 8 1 0 0 0 0 0 0 0 0 0 0 2.953300 3.468400 4.164900 1XA 0 0.00000 0.00000 UNCH H71 20
42 13 1 0 0 0 0 0 0 0 0 0 0 -2.289400 5.933400 3.692600 1XA 0 0.45000 0.45000 UNCH H3 21
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25 2 1 10 1 15 1 0 0 0 0 0 0 -8.906000 -3.063700 14.860800 1XA 0 -0.83820 -0.83820 UNCH N1 1
2 1 1 3 2 16 1 0 0 0 0 0 0 -9.156700 -3.394800 13.543400 1XA 0 -0.05000 -0.05000 UNCH C2 2
2 2 2 4 1 11 1 0 0 0 0 0 0 -8.980600 -4.614400 13.020500 1XA 0 0.02880 0.02880 UNCH C3 3
2 3 1 5 1 14 2 0 0 0 0 0 0 -8.442400 -5.661500 13.928900 1XA 0 0.61560 0.61560 UNCH C4 4
25 4 1 6 1 10 1 0 0 0 0 0 0 -8.128400 -5.289100 15.232000 1XA 0 -0.66020 -0.66020 UNCH N5 5
3 5 1 7 1 17 1 18 1 0 0 0 0 -7.783600 -6.340400 16.179199 1XA 0 0.30010 0.30010 UNCH C6 6
3 6 1 8 1 19 1 20 1 0 0 0 0 -9.041100 -6.811100 16.912901 1XA 0 0.00000 0.00000 UNCH C7 7
3 7 1 9 1 21 1 22 1 0 0 0 0 -9.782400 -5.632500 17.554100 1XA 0 0.00000 0.00000 UNCH C8 8
3 8 1 10 1 23 1 24 1 0 0 0 0 -10.022400 -4.495600 16.552099 1XA 0 0.00000 0.00000 UNCH C9 9
3 1 1 5 1 9 1 25 1 0 0 0 0 -8.709300 -4.110300 15.853700 1XA 0 0.66920 0.66920 UNCH C9_ 10
2 3 1 12 2 13 1 0 0 0 0 0 0 -9.309200 -4.822200 11.584100 1XA 0 0.61560 0.61560 UNCH C11 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -9.760200 -3.937100 10.863000 1XA 0 -0.57000 -0.57000 UNCH O12 12
25 11 1 26 1 27 1 0 0 0 0 0 0 -9.089000 -6.067800 11.086500 1XA 0 -0.80000 -0.80000 UNCH N13 13
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.268200 -6.809200 13.511300 1XA 0 -0.57000 -0.57000 UNCH O17 14
3 1 1 28 1 29 1 30 1 0 0 0 0 -9.166000 -1.720200 15.368300 1XA 0 0.36910 0.36910 UNCH C18 15
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.513300 -2.567500 12.931700 1XA 0 0.15000 0.15000 UNCH H2 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.305900 -7.183800 15.669800 1XA 0 0.00000 0.00000 UNCH H61 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.054900 -5.931600 16.889099 1XA 0 0.00000 0.00000 UNCH H62 18
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41 7 1 0 0 0 0 0 0 0 0 0 0 -8.774100 -7.546000 17.680099 1XA 0 0.00000 0.00000 UNCH H72 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.738900 -5.973900 17.965099 1XA 0 0.00000 0.00000 UNCH H81 21
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41 9 1 0 0 0 0 0 0 0 0 0 0 -10.450600 -3.633200 17.075600 1XA 0 0.00000 0.00000 UNCH H92 24
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43 13 1 0 0 0 0 0 0 0 0 0 0 -9.295000 -6.253700 10.116100 1XA 0 0.37000 0.37000 UNCH H131 26
43 13 1 0 0 0 0 0 0 0 0 0 0 -8.716600 -6.813200 11.672400 1XA 0 0.37000 0.37000 UNCH H132 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.650800 -1.546500 16.319000 1XA 0 0.00000 0.00000 UNCH H181 28
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.239800 -1.572500 15.523300 1XA 0 0.00000 0.00000 UNCH H182 29
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.810100 -0.963100 14.660900 1XA 0 0.00000 0.00000 UNCH H183 30
26 [DECRIM,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 4 1 5 1 0 0 0 0 0 0 0 0 -8.062700 -3.705400 14.627400 1XA 0 -0.33300 -0.33300 DECR O1 1
31 4 2 10 1 11 1 0 0 0 0 0 0 -10.043300 -4.217700 13.791900 1XA 0 -0.74700 -0.74700 DECR N1 2
25 4 1 12 1 13 1 0 0 0 0 0 0 -9.726500 -2.215300 15.140100 1XA 0 -0.81100 -0.81100 DECR N3 3
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.352500 -3.339300 14.531800 1XA 0 0.92500 0.92500 DECR C1 4
2 1 1 6 2 10 1 0 0 0 0 0 0 -7.908700 -4.822800 13.860500 1XA 0 0.14000 0.14000 DECR C2 5
2 5 2 7 1 14 1 0 0 0 0 0 0 -6.738100 -5.533300 13.637200 1XA 0 -0.15000 -0.15000 DECR C3 6
2 6 1 8 2 15 1 0 0 0 0 0 0 -6.864500 -6.651200 12.803900 1XA 0 -0.15000 -0.15000 DECR C4 7
2 7 2 9 1 16 1 0 0 0 0 0 0 -8.098500 -7.012400 12.244200 1XA 0 -0.15000 -0.15000 DECR C5 8
2 8 1 10 2 20 1 0 0 0 0 0 0 -9.263700 -6.269100 12.496200 1XA 0 -0.15000 -0.15000 DECR C6 9
2 2 1 5 1 9 2 0 0 0 0 0 0 -9.138000 -5.153900 13.326500 1XA 0 0.33300 0.33300 DECR C7 10
3 2 1 26 1 25 1 24 1 0 0 0 0 -11.455600 -4.303200 13.512100 1XA 0 0.51400 0.51400 DECR C8 11
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3 3 1 19 1 22 1 23 1 0 0 0 0 -8.763800 -1.543800 16.036100 1XA 0 0.48950 0.48950 DECR C11 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.790300 -5.244200 14.076000 1XA 0 0.15000 0.15000 DECR H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.983100 -7.254900 12.585000 1XA 0 0.15000 0.15000 DECR H4 15
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.984100 -1.067500 15.434900 1XA 0 0.00000 0.00000 DECR H112 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.203800 -6.570500 12.048200 1XA 0 0.15000 0.15000 DECR H1 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.242800 -1.576600 13.827100 1XA 0 0.00000 0.00000 DECR H2 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.270400 -0.783500 16.638100 1XA 0 0.00000 0.00000 DECR H6 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.319800 -2.274700 16.719000 1XA 0 0.00000 0.00000 DECR H7 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.749100 -5.316500 13.227000 1XA 0 0.00000 0.00000 DECR H8 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.023900 -4.044000 14.408100 1XA 0 0.00000 0.00000 DECR H9 25
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.703400 -3.617000 12.698400 1XA 0 0.00000 0.00000 DECR H10 26
20 [DEDCIY,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 6 1 0 0 0 0 0 0 0 0 0 0 -12.524200 -5.217100 15.187600 1XA 0 -0.17700 -0.17700 UNCH CL1 1
57 8 1 0 0 0 0 0 0 0 0 0 0 -9.886900 -1.833900 11.912100 1XA 0 -0.17700 -0.17700 UNCH CL2 2
57 13 1 0 0 0 0 0 0 0 0 0 0 -6.998300 -4.055800 16.867300 1XA 0 -0.29000 -0.29000 UNCH CL3 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -5.244700 -3.518800 14.169400 1XA 0 -0.57000 -0.57000 UNCH O1 4
25 9 1 12 1 17 1 0 0 0 0 0 0 -7.391600 -3.017300 13.454600 1XA 0 -0.54700 -0.54700 UNCH N1 5
2 1 1 7 2 11 1 0 0 0 0 0 0 -11.041300 -4.533700 14.641200 1XA 0 0.17700 0.17700 UNCH C1 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -11.064100 -3.570300 13.619000 1XA 0 -0.15000 -0.15000 UNCH C2 7
2 2 1 7 1 9 2 0 0 0 0 0 0 -9.871000 -3.008200 13.165100 1XA 0 0.17700 0.17700 UNCH C3 8
2 5 1 8 2 10 1 0 0 0 0 0 0 -8.687200 -3.427500 13.748100 1XA 0 0.11700 0.11700 UNCH C4 9
2 9 1 11 2 13 1 0 0 0 0 0 0 -8.660000 -4.384600 14.764900 1XA 0 -0.14350 -0.14350 UNCH C5 10
2 6 1 10 2 16 1 0 0 0 0 0 0 -9.840000 -4.951000 15.224300 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 4 2 5 1 13 1 0 0 0 0 0 0 -6.452900 -3.674500 14.245300 1XA 0 0.56900 0.56900 UNCH C7 12
3 3 1 10 1 12 1 14 1 0 0 0 0 -7.232600 -4.620600 15.193500 1XA 0 0.49450 0.49450 UNCH C8 13
3 13 1 18 1 19 1 20 1 0 0 0 0 -6.773800 -6.061400 15.033100 1XA 0 0.00000 0.00000 UNCH C9 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.012000 -3.264000 13.183400 1XA 0 0.15000 0.15000 UNCH H2 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.834400 -5.690400 16.020399 1XA 0 0.15000 0.15000 UNCH H6 16
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.142500 -2.334000 12.751600 1XA 0 0.37000 0.37000 UNCH H1 17
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.713700 -6.172400 15.288000 1XA 0 0.00000 0.00000 UNCH H91 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.892100 -6.401100 13.997100 1XA 0 0.00000 0.00000 UNCH H92 19
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.349100 -6.743100 15.669600 1XA 0 0.00000 0.00000 UNCH H93 20
30 [DEDSIO,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
59 7 1 0 0 0 0 0 0 0 0 0 0 -5.927700 -3.748500 17.516500 1XA 0 -0.19000 -0.19000 DEDS I1 1
25 4 1 6 1 8 1 0 0 0 0 0 0 -7.603100 -5.678900 15.254800 1XA 0 -0.32900 -0.32900 DEDS N1 2
15 4 2 0 0 0 0 0 0 0 0 0 0 -9.148500 -7.053600 16.386600 1XA 0 -0.57000 -0.57000 DEDS O1 3
2 2 1 3 2 5 1 0 0 0 0 0 0 -8.039600 -6.671200 16.091499 1XA 0 0.57700 0.57700 DEDS C1 4
3 4 1 6 1 17 1 18 1 0 0 0 0 -6.607100 -7.083500 16.455900 1XA 0 0.05300 0.05300 DEDS C2 5
3 2 1 5 1 7 1 19 1 0 0 0 0 -6.172900 -6.017500 15.427400 1XA 0 0.22500 0.22500 DEDS C3 6
3 1 1 6 1 20 1 21 1 0 0 0 0 -5.277300 -4.839400 15.805400 1XA 0 0.19000 0.19000 DEDS C4 7
1 2 1 9 3 0 0 0 0 0 0 0 0 -8.264400 -4.855200 14.418100 1XA 0 0.04400 0.04400 DEDS C5 8
1 8 3 10 1 0 0 0 0 0 0 0 0 -8.846800 -4.116100 13.673200 1XA 0 -0.10500 -0.10500 DEDS C6 9
2 9 1 11 2 12 1 0 0 0 0 0 0 -9.538600 -3.228600 12.777400 1XA 0 0.82500 0.82500 DEDS C7 10
15 10 2 0 0 0 0 0 0 0 0 0 0 -8.990200 -2.808200 11.771700 1XA 0 -0.57000 -0.57000 DEDS O2 11
16 10 1 13 1 0 0 0 0 0 0 0 0 -10.794500 -2.959100 13.205300 1XA 0 -0.43000 -0.43000 DEDS O3 12
3 12 1 14 1 15 1 16 1 0 0 0 0 -11.661600 -2.082400 12.443300 1XA 0 0.28000 0.28000 DEDS C8 13
3 13 1 22 1 23 1 24 1 0 0 0 0 -11.085400 -0.664500 12.360900 1XA 0 0.00000 0.00000 DEDS C9 14
3 13 1 25 1 26 1 27 1 0 0 0 0 -12.971800 -2.034500 13.244000 1XA 0 0.00000 0.00000 DEDS C10 15
3 13 1 28 1 29 1 30 1 0 0 0 0 -11.956700 -2.661100 11.055000 1XA 0 0.00000 0.00000 DEDS C11 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.349100 -6.908800 17.502199 1XA 0 0.00000 0.00000 DEDS H21 17
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41 14 1 0 0 0 0 0 0 0 0 0 0 -11.808600 0.035000 11.928000 1XA 0 0.00000 0.00000 DEDS H91 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.801900 -0.301800 13.355300 1XA 0 0.00000 0.00000 DEDS H92 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.182700 -0.625600 11.743900 1XA 0 0.00000 0.00000 DEDS H93 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -13.719200 -1.394200 12.763800 1XA 0 0.00000 0.00000 DEDS H101 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.794700 -1.659000 14.258700 1XA 0 0.00000 0.00000 DEDS H102 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -13.396900 -3.038800 13.356200 1XA 0 0.00000 0.00000 DEDS H103 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.069600 -2.658400 10.414300 1XA 0 0.00000 0.00000 DEDS H111 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.734100 -2.086000 10.540600 1XA 0 0.00000 0.00000 DEDS H112 29
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.286500 -3.703400 11.130300 1XA 0 0.00000 0.00000 DEDS H113 30
24 [DEFGIE,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
18 5 1 0 0 0 0 0 0 0 0 0 0 -7.650300 -1.963800 17.598900 1XA 0 -0.63300 -0.63300 DEFG O1 1
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.297000 -8.617400 11.963100 1XA 0 -0.57000 -0.57000 DEFG O2 2
25 15 1 7 1 4 1 0 0 0 0 0 0 -7.867600 -3.243200 15.436200 1XA 0 -0.45800 -0.45800 DEFG N1 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.769600 -2.235200 15.640200 1XA 0 -0.24900 -0.24900 DEFG N2 4
31 1 1 4 2 13 1 0 0 0 0 0 0 -8.553900 -1.640500 16.750999 1XA 0 0.74100 0.74100 DEFG N3 5
25 19 1 18 1 14 1 0 0 0 0 0 0 -10.415300 -7.900100 11.686300 1XA 0 -0.80000 -0.80000 DEFG N4 6
2 3 1 12 1 8 2 0 0 0 0 0 0 -8.244700 -4.350200 14.656700 1XA 0 0.10000 0.10000 DEFG C1 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -7.456500 -5.508200 14.688300 1XA 0 -0.15000 -0.15000 DEFG C2 8
2 8 1 17 1 10 2 0 0 0 0 0 0 -7.763000 -6.610500 13.883000 1XA 0 -0.15000 -0.15000 DEFG C3 9
2 9 2 14 1 11 1 0 0 0 0 0 0 -8.860000 -6.567800 13.016900 1XA 0 0.08620 0.08620 DEFG C4 10
2 10 1 20 1 12 2 0 0 0 0 0 0 -9.626900 -5.401100 12.941500 1XA 0 -0.15000 -0.15000 DEFG C5 11
2 7 1 11 2 21 1 0 0 0 0 0 0 -9.312900 -4.301800 13.750800 1XA 0 -0.15000 -0.15000 DEFG C6 12
3 5 1 24 1 23 1 22 1 0 0 0 0 -9.453200 -0.521900 17.048599 1XA 0 0.09900 0.09900 DEFG C7 13
2 2 2 6 1 10 1 0 0 0 0 0 0 -9.146800 -7.763000 12.179300 1XA 0 0.54380 0.54380 DEFG C8 14
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.292900 -3.451800 16.259399 1XA 0 0.40000 0.40000 DEFG H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.589400 -5.564000 15.342700 1XA 0 0.15000 0.15000 DEFG H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.138400 -7.500800 13.930900 1XA 0 0.15000 0.15000 DEFG H3 17
43 6 1 0 0 0 0 0 0 0 0 0 0 -10.614600 -8.783100 11.233000 1XA 0 0.37000 0.37000 DEFG H41 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -11.197900 -7.391800 12.071000 1XA 0 0.37000 0.37000 DEFG H42 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.449300 -5.311700 12.238400 1XA 0 0.15000 0.15000 DEFG H5 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.908000 -3.396600 13.657400 1XA 0 0.15000 0.15000 DEFG H6 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.160100 -0.067700 17.998501 1XA 0 0.00000 0.00000 DEFG H71 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.473800 -0.906100 17.119600 1XA 0 0.00000 0.00000 DEFG H72 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.372000 0.214800 16.245399 1XA 0 0.00000 0.00000 DEFG H73 24
30 [DEFLEF,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 24 1 19 1 12 1 2 1 0 0 0 0 -9.131400 -3.594800 15.625700 1XA 0 0.60020 0.60020 DEFL C7 1
25 1 1 6 1 3 1 0 0 0 0 0 0 -7.725000 -3.604900 15.343200 1XA 0 -0.34410 -0.34410 DEFL N1 2
31 2 1 5 2 4 1 0 0 0 0 0 0 -6.933400 -2.582300 15.850600 1XA 0 1.02400 1.02400 DEFL N11 3
18 3 1 0 0 0 0 0 0 0 0 0 0 -7.558800 -1.617800 16.288900 1XA 0 -0.52000 -0.52000 DEFL O12 4
15 3 2 0 0 0 0 0 0 0 0 0 0 -5.718900 -2.733200 15.783600 1XA 0 -0.52000 -0.52000 DEFL O13 5
2 2 1 8 1 7 2 0 0 0 0 0 0 -7.243500 -4.884500 15.119100 1XA 0 0.69000 0.69000 DEFL C2 6
15 6 2 0 0 0 0 0 0 0 0 0 0 -6.087200 -5.254800 15.013100 1XA 0 -0.57000 -0.57000 DEFL O21 7
25 6 1 12 1 9 1 0 0 0 0 0 0 -8.359500 -5.741400 14.978000 1XA 0 -0.42010 -0.42010 DEFL N3 8
2 8 1 11 2 10 1 0 0 0 0 0 0 -8.352300 -6.966200 15.614000 1XA 0 0.56900 0.56900 DEFL C31 9
3 9 1 30 1 29 1 28 1 0 0 0 0 -7.189900 -7.877400 15.317300 1XA 0 0.06100 0.06100 DEFL C33 10
15 9 2 0 0 0 0 0 0 0 0 0 0 -9.221800 -7.272300 16.429001 1XA 0 -0.57000 -0.57000 DEFL O32 11
3 1 1 8 1 23 1 13 1 0 0 0 0 -9.571900 -4.947200 15.044000 1XA 0 0.60020 0.60020 DEFL C8 12
25 12 1 17 1 14 1 0 0 0 0 0 0 -10.099000 -4.553500 13.769100 1XA 0 -0.34410 -0.34410 DEFL N4 13
31 13 1 16 2 15 1 0 0 0 0 0 0 -10.733900 -5.507800 12.984200 1XA 0 1.02400 1.02400 DEFL N41 14
18 14 1 0 0 0 0 0 0 0 0 0 0 -10.561900 -6.670000 13.348900 1XA 0 -0.52000 -0.52000 DEFL O43 15
15 14 2 0 0 0 0 0 0 0 0 0 0 -11.362500 -5.101300 12.013700 1XA 0 -0.52000 -0.52000 DEFL O42 16
2 13 1 19 1 18 2 0 0 0 0 0 0 -10.432400 -3.209300 13.731000 1XA 0 0.69000 0.69000 DEFL C5 17
15 17 2 0 0 0 0 0 0 0 0 0 0 -11.042100 -2.600600 12.868900 1XA 0 -0.57000 -0.57000 DEFL O51 18
25 1 1 17 1 20 1 0 0 0 0 0 0 -9.889600 -2.602400 14.887200 1XA 0 -0.42010 -0.42010 DEFL N6 19
2 19 1 22 2 21 1 0 0 0 0 0 0 -10.661000 -1.710900 15.604700 1XA 0 0.56900 0.56900 DEFL C61 20
3 20 1 27 1 26 1 25 1 0 0 0 0 -11.226900 -0.539500 14.844900 1XA 0 0.06100 0.06100 DEFL C62 21
15 20 2 0 0 0 0 0 0 0 0 0 0 -10.922400 -1.898000 16.792400 1XA 0 -0.57000 -0.57000 DEFL O63 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.377800 -5.384300 15.646900 1XA 0 0.00000 0.00000 DEFL H1 23
41 1 1 0 0 0 0 0 0 0 0 0 0 -9.279800 -3.573900 16.712799 1XA 0 0.00000 0.00000 DEFL H2 24
41 21 1 0 0 0 0 0 0 0 0 0 0 -12.231900 -0.781000 14.490200 1XA 0 0.00000 0.00000 DEFL H3 25
41 21 1 0 0 0 0 0 0 0 0 0 0 -11.276400 0.325800 15.512400 1XA 0 0.00000 0.00000 DEFL H4 26
41 21 1 0 0 0 0 0 0 0 0 0 0 -10.584900 -0.272300 14.001100 1XA 0 0.00000 0.00000 DEFL H5 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.407700 -7.733200 16.066601 1XA 0 0.00000 0.00000 DEFL H6 28
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.535200 -8.914900 15.349000 1XA 0 0.00000 0.00000 DEFL H7 29
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.790500 -7.690400 14.316700 1XA 0 0.00000 0.00000 DEFL H8 30
18 [DEFPUZ,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 7 1 2 1 0 0 0 0 0 0 0 0 -8.528000 -2.294900 13.203900 1XA 0 0.12770 0.12770 DEFP S1 1
25 1 1 6 2 0 0 0 0 0 0 0 0 -8.224900 -3.892800 12.881300 1XA 0 -0.50950 -0.50950 DEFP N1 2
31 8 1 7 2 6 1 0 0 0 0 0 0 -9.379300 -3.951500 14.887000 1XA 0 -0.74700 -0.74700 DEFP N2 3
25 10 1 9 1 6 1 0 0 0 0 0 0 -8.631800 -5.984300 13.901100 1XA 0 -0.85210 -0.85210 DEFP N3 4
25 12 1 11 1 7 1 0 0 0 0 0 0 -9.848200 -1.700000 15.468600 1XA 0 -0.73200 -0.73200 DEFP N4 5
2 2 2 3 1 4 1 0 0 0 0 0 0 -8.722700 -4.639100 13.867200 1XA 0 0.70480 0.70480 DEFP C1 6
2 1 1 3 2 5 1 0 0 0 0 0 0 -9.345700 -2.632700 14.683400 1XA 0 0.82500 0.82500 DEFP C2 7
3 3 1 15 1 14 1 13 1 0 0 0 0 -10.037400 -4.667100 15.961800 1XA 0 0.51400 0.51400 DEFP C3 8
3 4 1 18 1 17 1 16 1 0 0 0 0 -7.867800 -6.683400 12.879400 1XA 0 0.36910 0.36910 DEFP C4 9
43 4 1 0 0 0 0 0 0 0 0 0 0 -8.637900 -6.481800 14.782200 1XA 0 0.40000 0.40000 DEFP H3 10
43 5 1 0 0 0 0 0 0 0 0 0 0 -9