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 -1.623410 1.696530 8.843110 1XA 0 0.33100 0.33100 AGLY C1 1 2 1 1 9 1 10 2 0 0 0 0 0 0 -1.543800 0.170997 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 1.764020 6.809410 1XA 0 0.36000 0.36000 AGLY H1 3 43 8 1 0 0 0 0 0 0 0 0 0 0 -0.127118 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 -2.670680 1.998710 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 2.109180 9.675560 1XA 0 0.00000 0.00000 AGLY H6 6 42 9 1 0 0 0 0 0 0 0 0 0 0 -2.365490 0.328872 10.673200 1XA 0 0.50000 0.50000 AGLY H7 7 26 1 1 3 1 4 1 0 0 0 0 0 0 -1.081780 2.218210 7.578390 1XA 0 -0.99000 -0.99000 AGLY N1 8 16 2 1 7 1 0 0 0 0 0 0 0 0 -2.034380 -0.343708 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 -0.532622 8.004810 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 6.032920 4.150470 3.052100 1XA 0 -0.65000 -0.65000 CHGB O1 1 15 7 2 0 0 0 0 0 0 0 0 0 0 6.066310 6.345410 3.343420 1XA 0 -0.57000 -0.57000 CHGB O2 2 16 8 1 13 1 0 0 0 0 0 0 0 0 3.362790 6.580910 2.485780 1XA 0 -0.68000 -0.68000 CHGB O3 3 16 9 1 14 1 0 0 0 0 0 0 0 0 3.091690 4.769010 4.831030 1XA 0 -0.68000 -0.68000 CHGB O4 4 15 10 2 0 0 0 0 0 0 0 0 0 0 1.477870 4.596710 1.756070 1XA 0 -0.90000 -0.90000 CHGB O5 5 18 10 1 0 0 0 0 0 0 0 0 0 0 0.923206 3.651370 3.769620 1XA 0 -0.90000 -0.90000 CHGB O6 6 2 1 1 2 2 8 1 0 0 0 0 0 0 5.411370 5.355710 3.046670 1XA 0 0.65900 0.65900 CHGB C1 7 3 3 1 7 1 9 1 11 1 0 0 0 0 3.963710 5.282730 2.565920 1XA 0 0.34100 0.34100 CHGB C2 8 3 4 1 8 1 10 1 12 1 0 0 0 0 3.157420 4.330130 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 4.162590 2.917600 1XA 0 0.90600 0.90600 CHGB C4 10 41 8 1 0 0 0 0 0 0 0 0 0 0 4.014080 4.906030 1.536190 1XA 0 0.00000 0.00000 CHGB H1 11 41 9 1 0 0 0 0 0 0 0 0 0 0 3.614630 3.333950 3.462000 1XA 0 0.00000 0.00000 CHGB H2 12 42 3 1 0 0 0 0 0 0 0 0 0 0 2.471550 6.396650 2.113000 1XA 0 0.40000 0.40000 CHGB H3 13 42 4 1 0 0 0 0 0 0 0 0 0 0 2.196190 4.458120 5.104680 1XA 0 0.40000 0.40000 CHGB H4 14 42 1 1 0 0 0 0 0 0 0 0 0 0 6.914400 4.382490 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 # 25 15 1 14 2 2 1 0 0 0 0 0 0 -8.191940 -2.599580 15.520800 1XA 0 -0.17900 -0.17900 AMPT N1 1 2 1 1 4 2 3 1 0 0 0 0 0 0 -7.347330 -2.948070 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 -2.031430 17.449699 1XA 0 -0.90000 -0.90000 AMPT N2 3 25 2 2 5 1 0 0 0 0 0 0 0 0 -6.803010 -4.163530 16.553301 1XA 0 -0.62000 -0.62000 AMPT N3 4 2 4 1 7 2 6 1 0 0 0 0 0 0 -7.151010 -5.041370 15.593200 1XA 0 0.41000 0.41000 AMPT C4 5 25 5 1 19 1 18 1 0 0 0 0 0 0 -6.486080 -6.264890 15.629800 1XA 0 -0.90000 -0.90000 AMPT N4 6 2 5 2 14 1 8 1 0 0 0 0 0 0 -8.037280 -4.745960 14.549600 1XA 0 0.31000 0.31000 AMPT C41 7 25 7 1 9 2 0 0 0 0 0 0 0 0 -8.398840 -5.636370 13.589000 1XA 0 -0.62000 -0.62000 AMPT N5 8 2 8 2 11 1 10 1 0 0 0 0 0 0 -9.272340 -5.228740 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 -6.235140 11.582800 1XA 0 0.14350 0.14350 AMPT C61 10 2 9 1 13 2 12 1 0 0 0 0 0 0 -9.791360 -3.934730 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 -9.441690 -3.037180 13.605300 1XA 0 -0.62000 -0.62000 AMPT N8 13 2 1 2 7 1 13 1 0 0 0 0 0 0 -8.562990 -3.445780 14.557200 1XA 0 0.67100 0.67100 AMPT C81 14 43 1 1 0 0 0 0 0 0 0 0 0 0 -8.612520 -1.681820 15.517000 1XA 0 0.45700 0.45700 AMPT H1 15 43 3 1 0 0 0 0 0 0 0 0 0 0 -6.878750 -1.065270 17.187901 1XA 0 0.40000 0.40000 AMPT H21 16 43 3 1 0 0 0 0 0 0 0 0 0 0 -6.292370 -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 -5.952780 -6.403620 16.482401 1XA 0 0.40000 0.40000 AMPT H41 18 43 6 1 0 0 0 0 0 0 0 0 0 0 -7.059360 -7.061190 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 -6.430270 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 -9.352580 -5.875160 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 -2.419740 11.780100 1XA 0 0.00000 0.00000 AMPT H71 23 41 12 1 0 0 0 0 0 0 0 0 0 0 -11.669300 -4.067720 11.615300 1XA 0 0.00000 0.00000 AMPT H72 24 41 12 1 0 0 0 0 0 0 0 0 0 0 -10.304800 -3.513290 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 # 2 26 1 25 2 2 1 0 0 0 0 0 0 -9.423620 -3.913400 16.152599 1XA 0 0.90600 0.90600 ARGI C1 1 3 1 1 21 1 8 1 3 1 0 0 0 0 -7.870460 -3.861950 16.124701 1XA 0 0.16400 0.16400 ARGI C2 2 3 2 1 11 1 10 1 4 1 0 0 0 0 -7.358650 -3.440970 14.736100 1XA 0 0.00000 0.00000 ARGI C3 3 3 3 1 13 1 12 1 5 1 0 0 0 0 -7.572880 -4.415670 13.557900 1XA 0 0.00000 0.00000 ARGI C4 4 3 4 1 23 1 15 1 14 1 0 0 0 0 -8.885960 -4.225140 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 -4.162290 13.598800 1XA 0 1.20000 1.20000 ARGI C6 6 43 21 1 0 0 0 0 0 0 0 0 0 0 -7.964660 -5.879430 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 43 21 1 0 0 0 0 0 0 0 0 0 0 -7.455430 -5.263810 17.540701 1XA 0 0.36000 0.36000 ARGI H4 9 41 3 1 0 0 0 0 0 0 0 0 0 0 -7.773560 -2.459540 14.474000 1XA 0 0.00000 0.00000 ARGI H6 10 41 3 1 0 0 0 0 0 0 0 0 0 0 -6.274230 -3.288570 14.830400 1XA 0 0.00000 0.00000 ARGI H7 11 41 4 1 0 0 0 0 0 0 0 0 0 0 -6.761090 -4.234820 12.841200 1XA 0 0.00000 0.00000 ARGI H9 12 41 4 1 0 0 0 0 0 0 0 0 0 0 -7.471630 -5.456980 13.880800 1XA 0 0.00000 0.00000 ARGI H10 13 41 5 1 0 0 0 0 0 0 0 0 0 0 -9.017300 -3.165540 12.547700 1XA 0 0.00000 0.00000 ARGI H12 14 41 5 1 0 0 0 0 0 0 0 0 0 0 -8.845360 -4.798030 11.857100 1XA 0 0.00000 0.00000 ARGI H13 15 44 23 1 0 0 0 0 0 0 0 0 0 0 -9.856580 -5.305320 14.371900 1XA 0 0.45000 0.45000 ARGI H14 16 43 22 1 0 0 0 0 0 0 0 0 0 0 -11.081900 -3.049110 11.899000 1XA 0 0.45000 0.45000 ARGI H15 17 43 22 1 0 0 0 0 0 0 0 0 0 0 -12.578900 -2.860380 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 -4.898920 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 -4.005510 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 -5.179970 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 -3.308720 12.664400 1XA 0 -0.96667 -0.96667 ARGI N2 22 31 5 1 6 2 16 1 0 0 0 0 0 0 -10.032400 -4.711160 13.546000 1XA 0 -0.84427 -0.84427 ARGI N3 23 25 6 1 19 1 20 1 0 0 0 0 0 0 -12.065800 -4.493260 14.597800 1XA 0 -0.96667 -0.96667 ARGI N4 24 15 1 2 0 0 0 0 0 0 0 0 0 0 -9.939180 -5.080390 16.032000 1XA 0 -0.90000 -0.90000 ARGI O1 25 18 1 1 0 0 0 0 0 0 0 0 0 0 -10.047400 -2.820780 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 -5.593070 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1 1 18 3 1 0 0 0 0 0 0 0 0 0 0 -9.354090 -5.593070 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 -5.013350 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 -3.454050 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 -2.874330 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1F 5 18 4 1 0 0 0 0 0 0 0 0 0 0 -9.354090 -2.874330 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 # 58 14 1 0 0 0 0 0 0 0 0 0 0 -11.720600 -8.100740 15.055100 1XA 0 -0.11100 -0.11100 BBSP BR1 1 49 10 1 8 1 0 0 0 0 0 0 0 0 -9.236220 -1.611520 11.704100 1XA 0 -0.35800 -0.35800 BBSP S1 2 49 11 1 7 1 6 2 5 2 0 0 0 0 -7.342110 -3.506070 16.155701 1XA 0 1.44700 1.44700 BBSP S2 3 15 8 2 0 0 0 0 0 0 0 0 0 0 -9.129550 -4.150880 12.437900 1XA 0 -0.57000 -0.57000 BBSP O1 4 15 3 2 0 0 0 0 0 0 0 0 0 0 -7.895770 -2.561870 17.099501 1XA 0 -0.65000 -0.65000 BBSP O2 5 15 3 2 0 0 0 0 0 0 0 0 0 0 -6.066340 -4.150980 16.365900 1XA 0 -0.65000 -0.65000 BBSP O3 6 25 3 1 17 1 9 1 0 0 0 0 0 0 -7.230390 -2.717120 14.676200 1XA 0 -0.86500 -0.86500 BBSP N1 7 2 2 1 4 2 9 1 0 0 0 0 0 0 -8.951000 -2.983410 12.705000 1XA 0 0.65800 0.65800 BBSP C1 8 3 7 1 8 1 18 1 10 1 0 0 0 0 -8.396150 -2.151050 13.908700 1XA 0 0.36000 0.36000 BBSP C2 9 3 2 1 9 1 20 1 19 1 0 0 0 0 -8.075120 -0.977142 12.946400 1XA 0 0.21700 0.21700 BBSP C3 10 2 3 1 16 1 12 2 0 0 0 0 0 0 -8.553720 -4.762720 15.844200 1XA 0 -0.00900 -0.00900 BBSP C4 11 2 11 2 21 1 13 1 0 0 0 0 0 0 -8.167520 -5.943470 15.201800 1XA 0 -0.15000 -0.15000 BBSP C5 12 2 12 1 22 1 14 2 0 0 0 0 0 0 -9.117680 -6.938340 14.963400 1XA 0 -0.15000 -0.15000 BBSP C6 13 2 1 1 13 2 15 1 0 0 0 0 0 0 -10.436900 -6.751000 15.378400 1XA 0 0.11100 0.11100 BBSP C7 14 2 14 1 23 1 16 2 0 0 0 0 0 0 -10.817200 -5.580320 16.036600 1XA 0 -0.15000 -0.15000 BBSP C8 15 2 11 1 15 2 24 1 0 0 0 0 0 0 -9.871780 -4.581470 16.276600 1XA 0 -0.15000 -0.15000 BBSP C9 16 43 7 1 0 0 0 0 0 0 0 0 0 0 -6.425060 -3.046390 14.140700 1XA 0 0.42000 0.42000 BBSP H1 17 41 9 1 0 0 0 0 0 0 0 0 0 0 -9.200740 -1.890440 14.612000 1XA 0 0.00000 0.00000 BBSP H2 18 41 10 1 0 0 0 0 0 0 0 0 0 0 -7.036500 -0.949276 12.597400 1XA 0 0.00000 0.00000 BBSP H31 19 41 10 1 0 0 0 0 0 0 0 0 0 0 -8.322970 0.010634 13.347500 1XA 0 0.00000 0.00000 BBSP H32 20 41 12 1 0 0 0 0 0 0 0 0 0 0 -7.139140 -6.095820 14.882100 1XA 0 0.15000 0.15000 BBSP H5 21 41 13 1 0 0 0 0 0 0 0 0 0 0 -8.822150 -7.852130 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 -5.441020 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 -3.676020 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 # 2 2 1 3 2 13 1 0 0 0 0 0 0 -8.562580 -3.401790 13.699200 1XA 0 -0.03100 -0.03100 CHGB C1 1 2 1 1 8 2 14 1 0 0 0 0 0 0 -8.286990 -4.816810 13.934300 1XA 0 -0.03100 -0.03100 CHGB C2 2 2 1 2 4 1 6 1 0 0 0 0 0 0 -8.400630 -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 -7.842010 -2.893770 11.418400 1XA 0 0.49210 0.49210 CHGB C4 4 24 4 3 0 0 0 0 0 0 0 0 0 0 -7.441010 -3.248670 10.390700 1XA 0 -0.55710 -0.55710 CHGB N5 5 1 3 1 7 3 0 0 0 0 0 0 0 0 -8.941930 -1.198960 12.707800 1XA 0 0.49210 0.49210 CHGB C6 6 24 6 3 0 0 0 0 0 0 0 0 0 0 -9.447590 -0.156833 12.743000 1XA 0 -0.55710 -0.55710 CHGB N7 7 2 2 2 9 1 11 1 0 0 0 0 0 0 -7.306080 -5.697290 13.613700 1XA 0 0.16100 0.16100 CHGB C8 8 1 8 1 10 3 0 0 0 0 0 0 0 0 -6.148310 -5.324820 12.863200 1XA 0 0.49210 0.49210 CHGB C9 9 24 9 3 0 0 0 0 0 0 0 0 0 0 -5.196650 -4.969930 12.305300 1XA 0 -0.55710 -0.55710 CHGB N10 10 1 8 1 12 3 0 0 0 0 0 0 0 0 -7.248230 -7.019630 14.152600 1XA 0 0.49210 0.49210 CHGB C11 11 24 11 3 0 0 0 0 0 0 0 0 0 0 -7.203230 -8.061760 14.657500 1XA 0 -0.55710 -0.55710 CHGB N12 12 2 1 1 14 1 15 2 0 0 0 0 0 0 -9.205330 -3.401790 15.010800 1XA 0 -0.03100 -0.03100 CHGB C1B 13 2 2 1 13 1 16 2 0 0 0 0 0 0 -9.480910 -4.816810 14.775700 1XA 0 -0.03100 -0.03100 CHGB C2B 14 2 13 2 17 1 18 1 0 0 0 0 0 0 -9.367270 -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 -5.697290 15.096300 1XA 0 0.16100 0.16100 CHGB C8B 16 1 15 1 21 3 0 0 0 0 0 0 0 0 -9.925890 -2.893770 17.291599 1XA 0 0.49210 0.49210 CHGB C4B 17 1 15 1 22 3 0 0 0 0 0 0 0 0 -8.825970 -1.198960 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 -5.324820 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 -7.019630 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 -3.248670 18.319300 1XA 0 -0.55710 -0.55710 CHGB N5B 21 24 18 3 0 0 0 0 0 0 0 0 0 0 -8.320310 -0.156833 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 -4.969930 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 -8.061760 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 -9.460050 -4.542510 14.521300 1XA 0 -0.39400 -0.39400 BEWC N1 1 2 1 1 3 2 24 1 0 0 0 0 0 0 -8.147290 -4.446650 14.082800 1XA 0 0.12340 0.12340 BEWC C2 2 2 2 2 4 1 9 1 0 0 0 0 0 0 -7.961840 -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 -9.245520 -5.672190 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 -5.403720 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 -4.268820 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 -4.044960 12.886900 1XA 0 -0.24540 -0.24540 BEWC C8 8 49 3 1 10 1 16 2 0 0 0 0 0 0 -6.438740 -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 -5.554350 -6.343150 13.055800 1XA 0 -0.09400 -0.09400 BEWC C10 10 2 10 2 12 1 41 1 0 0 0 0 0 0 -5.914690 -7.633010 13.050600 1XA 0 -0.04100 -0.04100 BEWC C11 11 25 11 1 13 1 42 1 0 0 0 0 0 0 -5.287950 -8.577840 13.827600 1XA 0 -0.53900 -0.53900 BEWC N12 12 2 12 1 14 2 15 1 0 0 0 0 0 0 -5.698830 -9.898140 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 -4.836530 -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 -6.778580 -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 -2.742070 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 -5.048040 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 -7.178210 11.061800 1XA 0 0.65900 0.65900 BEWC C20 20 15 20 2 0 0 0 0 0 0 0 0 0 0 -14.026400 -7.060040 10.527800 1XA 0 -0.57000 -0.57000 BEWC O21 21 3 20 1 51 1 52 1 53 1 0 0 0 0 -12.049600 -8.381080 10.936600 1XA 0 0.06100 0.06100 BEWC C22 22 15 7 2 0 0 0 0 0 0 0 0 0 0 -10.270000 -2.323090 14.695300 1XA 0 -0.57000 -0.57000 BEWC O23 23 2 2 1 25 2 26 1 0 0 0 0 0 0 -7.126620 -3.690370 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 -3.541240 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 -3.232650 16.018499 1XA 0 -0.43000 -0.43000 BEWC O26 26 3 26 1 28 1 54 1 55 1 0 0 0 0 -6.810220 -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 -6.819270 -0.989577 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 -0.347840 16.007401 1XA 0 -0.15000 -0.15000 BEWC C29 29 2 29 1 31 2 59 1 0 0 0 0 0 0 -5.630790 0.979542 15.570600 1XA 0 -0.15000 -0.15000 BEWC C30 30 2 30 2 32 1 34 1 0 0 0 0 0 0 -6.845650 1.671380 15.484300 1XA 0 0.13300 0.13300 BEWC C31 31 2 31 1 33 2 56 1 0 0 0 0 0 0 -8.047490 1.044080 15.831200 1XA 0 -0.15000 -0.15000 BEWC C32 32 2 28 1 32 2 57 1 0 0 0 0 0 0 -8.028330 -0.282299 16.268499 1XA 0 -0.15000 -0.15000 BEWC C33 33 31 31 1 35 1 36 2 0 0 0 0 0 0 -6.857870 3.065140 15.024200 1XA 0 0.90700 0.90700 BEWC N34 34 18 34 1 0 0 0 0 0 0 0 0 0 0 -5.774620 3.576450 14.704500 1XA 0 -0.52000 -0.52000 BEWC O35 35 15 34 2 0 0 0 0 0 0 0 0 0 0 -7.948730 3.652380 14.985800 1XA 0 -0.52000 -0.52000 BEWC O36 36 41 4 1 0 0 0 0 0 0 0 0 0 0 -9.568060 -5.188510 11.482600 1XA 0 0.00000 0.00000 BEWC H1 37 41 4 1 0 0 0 0 0 0 0 0 0 0 -9.141870 -6.748300 12.237000 1XA 0 0.00000 0.00000 BEWC H2 38 41 5 1 0 0 0 0 0 0 0 0 0 0 -10.557000 -6.319370 14.062900 1XA 0 0.00000 0.00000 BEWC H3 39 41 10 1 0 0 0 0 0 0 0 0 0 0 -4.742220 -5.990040 13.681000 1XA 0 0.15000 0.15000 BEWC H4 40 41 11 1 0 0 0 0 0 0 0 0 0 0 -6.730800 -7.997080 12.426100 1XA 0 0.15000 0.15000 BEWC H5 41 43 12 1 0 0 0 0 0 0 0 0 0 0 -4.492790 -8.295180 14.388500 1XA 0 0.37000 0.37000 BEWC H6 42 41 15 1 0 0 0 0 0 0 0 0 0 0 -3.837670 -10.333800 14.892600 1XA 0 0.00000 0.00000 BEWC H7 43 41 15 1 0 0 0 0 0 0 0 0 0 0 -5.312060 -10.859800 15.746200 1XA 0 0.00000 0.00000 BEWC H8 44 41 15 1 0 0 0 0 0 0 0 0 0 0 -4.728110 -11.747900 14.308500 1XA 0 0.00000 0.00000 BEWC H9 45 41 17 1 0 0 0 0 0 0 0 0 0 0 -14.128200 -2.921730 13.451800 1XA 0 0.00000 0.00000 BEWC H10 46 41 17 1 0 0 0 0 0 0 0 0 0 0 -12.624000 -2.027170 13.677100 1XA 0 0.00000 0.00000 BEWC H11 47 41 17 1 0 0 0 0 0 0 0 0 0 0 -13.257700 -2.269950 12.046600 1XA 0 0.00000 0.00000 BEWC H12 48 41 18 1 0 0 0 0 0 0 0 0 0 0 -14.073400 -5.295660 12.467200 1XA 0 0.00000 0.00000 BEWC H13 49 41 18 1 0 0 0 0 0 0 0 0 0 0 -13.275600 -4.600280 11.019800 1XA 0 0.00000 0.00000 BEWC H14 50 41 22 1 0 0 0 0 0 0 0 0 0 0 -11.870400 -8.813650 11.924200 1XA 0 0.00000 0.00000 BEWC H15 51 41 22 1 0 0 0 0 0 0 0 0 0 0 -12.543800 -9.130800 10.312200 1XA 0 0.00000 0.00000 BEWC H16 52 41 22 1 0 0 0 0 0 0 0 0 0 0 -11.105700 -8.099000 10.463300 1XA 0 0.00000 0.00000 BEWC H17 53 41 27 1 0 0 0 0 0 0 0 0 0 0 -7.195190 -2.461490 17.855700 1XA 0 0.00000 0.00000 BEWC H18 54 41 27 1 0 0 0 0 0 0 0 0 0 0 -5.796970 -2.843240 16.865700 1XA 0 0.00000 0.00000 BEWC H19 55 41 32 1 0 0 0 0 0 0 0 0 0 0 -9.001300 1.562860 15.760900 1XA 0 0.15000 0.15000 BEWC H20 56 41 33 1 0 0 0 0 0 0 0 0 0 0 -8.968800 -0.771733 16.521900 1XA 0 0.15000 0.15000 BEWC H21 57 41 29 1 0 0 0 0 0 0 0 0 0 0 -4.675840 -0.882794 16.059000 1XA 0 0.15000 0.15000 BEWC H22 58 41 30 1 0 0 0 0 0 0 0 0 0 0 -4.689730 1.453170 15.298600 1XA 0 0.15000 0.15000 BEWC H23 59 28 [BEWKUJ04,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 49 7 1 4 1 3 2 2 2 0 0 0 0 -10.659100 -4.916770 12.310800 1XA 0 0.84910 0.84910 BEWK S1 1 15 1 2 0 0 0 0 0 0 0 0 0 0 -11.322100 -6.133950 11.862500 1XA 0 -0.65000 -0.65000 BEWK O1 2 15 1 2 0 0 0 0 0 0 0 0 0 0 -10.746700 -3.810600 11.348300 1XA 0 -0.65000 -0.65000 BEWK O2 3 201 1 1 13 1 0 0 0 0 0 0 0 0 -9.172100 -5.134070 12.851200 1XA 0 -0.28810 -0.28810 BEWK N1 4 25 23 1 22 1 10 1 0 0 0 0 0 0 -14.053400 -3.097990 16.896601 1XA 0 -0.90000 -0.90000 BEWK N2 5 25 28 1 17 1 13 2 0 0 0 0 0 0 -8.325390 -4.283450 10.792400 1XA 0 -0.17900 -0.17900 BEWK N3 6 2 1 1 12 2 8 1 0 0 0 0 0 0 -11.651500 -4.368710 13.704100 1XA 0 -0.00900 -0.00900 BEWK C1 7 2 7 1 18 1 9 2 0 0 0 0 0 0 -12.313200 -5.313220 14.487300 1XA 0 -0.15000 -0.15000 BEWK C2 8 2 8 2 19 1 10 1 0 0 0 0 0 0 -13.091400 -4.884360 15.565400 1XA 0 -0.15000 -0.15000 BEWK C3 9 2 5 1 9 1 11 2 0 0 0 0 0 0 -13.181900 -3.525590 15.886800 1XA 0 0.10000 0.10000 BEWK C4 10 2 10 2 20 1 12 1 0 0 0 0 0 0 -12.567800 -2.590540 15.046000 1XA 0 -0.15000 -0.15000 BEWK C5 11 2 7 2 11 1 21 1 0 0 0 0 0 0 -11.787200 -3.005760 13.963800 1XA 0 -0.15000 -0.15000 BEWK C6 12 2 4 1 6 2 14 1 0 0 0 0 0 0 -8.164680 -4.932830 11.971000 1XA 0 0.10900 0.10900 BEWK C7 13 2 13 1 24 1 15 2 0 0 0 0 0 0 -6.863770 -5.384670 12.262600 1XA 0 -0.15000 -0.15000 BEWK C8 14 2 14 2 27 1 16 1 0 0 0 0 0 0 -5.819830 -5.180470 11.359900 1XA 0 -0.15000 -0.15000 BEWK C9 15 2 15 1 26 1 17 2 0 0 0 0 0 0 -6.065880 -4.520010 10.163600 1XA 0 -0.15000 -0.15000 BEWK C10 16 2 6 1 16 2 25 1 0 0 0 0 0 0 -7.351590 -4.073910 9.903080 1XA 0 0.21100 0.21100 BEWK C11 17 41 8 1 0 0 0 0 0 0 0 0 0 0 -12.242800 -6.371850 14.251900 1XA 0 0.15000 0.15000 BEWK H1 18 41 9 1 0 0 0 0 0 0 0 0 0 0 -13.630900 -5.623850 16.150600 1XA 0 0.15000 0.15000 BEWK H2 19 41 11 1 0 0 0 0 0 0 0 0 0 0 -12.697200 -1.526800 15.224700 1XA 0 0.15000 0.15000 BEWK H3 20 41 12 1 0 0 0 0 0 0 0 0 0 0 -11.310100 -2.269170 13.324900 1XA 0 0.15000 0.15000 BEWK H4 21 43 5 1 0 0 0 0 0 0 0 0 0 0 -14.202000 -3.788490 17.625401 1XA 0 0.40000 0.40000 BEWK H5 22 43 5 1 0 0 0 0 0 0 0 0 0 0 -13.829300 -2.181210 17.268900 1XA 0 0.40000 0.40000 BEWK H6 23 41 14 1 0 0 0 0 0 0 0 0 0 0 -6.668990 -5.908250 13.198000 1XA 0 0.15000 0.15000 BEWK H7 24 41 17 1 0 0 0 0 0 0 0 0 0 0 -7.634110 -3.546670 9.000720 1XA 0 0.15000 0.15000 BEWK H8 25 41 16 1 0 0 0 0 0 0 0 0 0 0 -5.267010 -4.355180 9.447420 1XA 0 0.15000 0.15000 BEWK H9 26 41 15 1 0 0 0 0 0 0 0 0 0 0 -4.821430 -5.542270 11.595400 1XA 0 0.15000 0.15000 BEWK H10 27 43 6 1 0 0 0 0 0 0 0 0 0 0 -9.280000 -3.929730 10.601400 1XA 0 0.45700 0.45700 BEWK H11 28 21 [BIHKEI01,21,21,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 -10.771600 -2.995550 14.254300 1XA 0 -0.82900 -0.82900 BIHK O1 1 16 11 1 10 1 0 0 0 0 0 0 0 0 -9.802790 -7.213710 13.934400 1XA 0 -0.56000 -0.56000 BIHK O2 2 16 13 1 11 1 0 0 0 0 0 0 0 0 -11.371900 -6.005770 15.207800 1XA 0 -0.68000 -0.68000 BIHK O3 3 31 14 1 8 1 6 2 0 0 0 0 0 0 -7.253880 -3.486880 14.674700 1XA 0 -0.17900 -0.17900 BIHK N1 4 2 1 1 12 2 6 1 0 0 0 0 0 0 -9.629210 -3.546140 14.335300 1XA 0 -0.17100 -0.17100 BIHK C1 5 2 4 2 5 1 7 1 0 0 0 0 0 0 -8.427130 -2.834310 14.535000 1XA 0 0.21750 0.21750 BIHK C2 6 3 6 1 17 1 16 1 15 1 0 0 0 0 -8.395690 -1.334890 14.627400 1XA 0 0.14350 0.14350 BIHK C3 7 2 4 1 18 1 9 2 0 0 0 0 0 0 -7.138980 -4.821660 14.642400 1XA 0 0.21100 0.21100 BIHK C4 8 2 8 2 12 1 10 1 0 0 0 0 0 0 -8.260020 -5.573250 14.429300 1XA 0 -0.14350 -0.14350 BIHK C5 9 3 2 1 9 1 20 1 19 1 0 0 0 0 -8.459980 -7.036340 14.411200 1XA 0 0.42350 0.42350 BIHK C6 10 3 2 1 3 1 21 1 12 1 0 0 0 0 -10.535600 -5.974130 14.068100 1XA 0 0.70350 0.70350 BIHK C7 11 2 5 2 9 1 11 1 0 0 0 0 0 0 -9.471030 -4.933800 14.258300 1XA 0 -0.14350 -0.14350 BIHK C8 12 42 3 1 0 0 0 0 0 0 0 0 0 0 -11.529400 -5.051700 15.378900 1XA 0 0.40000 0.40000 BIHK H23 13 44 4 1 0 0 0 0 0 0 0 0 0 0 -6.422170 -2.926370 14.829100 1XA 0 0.45700 0.45700 BIHK H3 14 41 7 1 0 0 0 0 0 0 0 0 0 0 -7.370800 -0.970516 14.751600 1XA 0 0.00000 0.00000 BIHK H131 15 41 7 1 0 0 0 0 0 0 0 0 0 0 -8.976960 -0.992544 15.489400 1XA 0 0.00000 0.00000 BIHK H132 16 41 7 1 0 0 0 0 0 0 0 0 0 0 -8.797090 -0.885464 13.713600 1XA 0 0.00000 0.00000 BIHK H133 17 41 8 1 0 0 0 0 0 0 0 0 0 0 -6.151350 -5.234900 14.797900 1XA 0 0.15000 0.15000 BIHK H14 18 41 10 1 0 0 0 0 0 0 0 0 0 0 -8.380960 -7.466860 15.414000 1XA 0 0.00000 0.00000 BIHK H161 19 41 10 1 0 0 0 0 0 0 0 0 0 0 -7.775130 -7.542790 13.725900 1XA 0 0.00000 0.00000 BIHK H162 20 41 11 1 0 0 0 0 0 0 0 0 0 0 -11.127500 -5.818160 13.161000 1XA 0 0.00000 0.00000 BIHK H17 21 23 [BIPDEJ02,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 25 2 1 9 1 10 1 0 0 0 0 0 0 -8.372580 -4.872890 14.302800 1XA 0 -0.46910 -0.46910 UNCH N1 1 2 1 1 3 2 4 1 0 0 0 0 0 0 -7.453990 -5.467320 15.164800 1XA 0 0.69000 0.69000 UNCH C1 2 15 2 2 0 0 0 0 0 0 0 0 0 0 -6.276910 -5.126640 15.256000 1XA 0 -0.57000 -0.57000 UNCH O1 3 25 2 1 5 1 15 1 0 0 0 0 0 0 -7.941140 -6.483150 15.949500 1XA 0 -0.49000 -0.49000 UNCH N2 4 2 4 1 6 2 7 1 0 0 0 0 0 0 -9.236100 -6.929730 15.989400 1XA 0 0.61560 0.61560 UNCH C2 5 15 5 2 0 0 0 0 0 0 0 0 0 0 -9.598520 -7.822790 16.746201 1XA 0 -0.57000 -0.57000 UNCH O2 6 2 5 1 8 1 9 2 0 0 0 0 0 0 -10.154400 -6.246630 15.060500 1XA 0 0.16390 0.16390 UNCH C3 7 56 7 1 0 0 0 0 0 0 0 0 0 0 -11.440400 -6.641850 15.048500 1XA 0 -0.14950 -0.14950 UNCH F1 8 2 1 1 7 2 16 1 0 0 0 0 0 0 -9.698880 -5.270180 14.276900 1XA 0 -0.04100 -0.04100 UNCH C4 9 3 1 1 11 1 14 1 17 1 0 0 0 0 -7.875950 -3.783870 13.461900 1XA 0 0.58010 0.58010 UNCH C5 10 3 10 1 12 1 18 1 19 1 0 0 0 0 -7.751390 -2.461120 14.215200 1XA 0 0.00000 0.00000 UNCH C6 11 3 11 1 13 1 20 1 21 1 0 0 0 0 -9.017440 -1.735710 13.833000 1XA 0 0.00000 0.00000 UNCH C7 12 3 12 1 14 1 22 1 23 1 0 0 0 0 -9.210620 -2.189840 12.405400 1XA 0 0.28000 0.28000 UNCH C8 13 16 10 1 13 1 0 0 0 0 0 0 0 0 -8.766930 -3.551580 12.354200 1XA 0 -0.56000 -0.56000 UNCH O3 14 43 4 1 0 0 0 0 0 0 0 0 0 0 -7.287660 -6.920570 16.580601 1XA 0 0.37000 0.37000 UNCH H2 15 41 9 1 0 0 0 0 0 0 0 0 0 0 -10.371500 -4.766170 13.591400 1XA 0 0.15000 0.15000 UNCH H4 16 41 10 1 0 0 0 0 0 0 0 0 0 0 -6.902890 -4.082520 13.054200 1XA 0 0.00000 0.00000 UNCH H5 17 41 11 1 0 0 0 0 0 0 0 0 0 0 -7.624960 -2.564300 15.296700 1XA 0 0.00000 0.00000 UNCH H61 18 41 11 1 0 0 0 0 0 0 0 0 0 0 -6.889600 -1.903080 13.828400 1XA 0 0.00000 0.00000 UNCH H62 19 41 12 1 0 0 0 0 0 0 0 0 0 0 -9.848670 -2.084640 14.456400 1XA 0 0.00000 0.00000 UNCH H71 20 41 12 1 0 0 0 0 0 0 0 0 0 0 -8.946190 -0.649347 13.929800 1XA 0 0.00000 0.00000 UNCH H72 21 41 13 1 0 0 0 0 0 0 0 0 0 0 -10.252900 -2.129320 12.080700 1XA 0 0.00000 0.00000 UNCH H81 22 41 13 1 0 0 0 0 0 0 0 0 0 0 -8.592750 -1.606510 11.714100 1XA 0 0.00000 0.00000 UNCH H82 23 19 [BIPJUF10,19,19,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 -8.542550 -3.104270 14.162100 1XA 0 0.08620 0.08620 UNCH C1 1 2 1 2 3 1 10 1 0 0 0 0 0 0 -8.114800 -4.398130 13.846800 1XA 0 0.13300 0.13300 UNCH C2 2 2 2 1 4 2 17 1 0 0 0 0 0 0 -8.766280 -5.532860 14.354500 1XA 0 -0.15000 -0.15000 UNCH C3 3 2 3 2 5 1 13 1 0 0 0 0 0 0 -9.880700 -5.351840 15.183200 1XA 0 0.13300 0.13300 UNCH C4 4 2 4 1 6 2 18 1 0 0 0 0 0 0 -10.340300 -4.062000 15.491900 1XA 0 -0.15000 -0.15000 UNCH C5 5 2 1 1 5 2 19 1 0 0 0 0 0 0 -9.672240 -2.943530 14.978600 1XA 0 -0.15000 -0.15000 UNCH C6 6 2 1 1 8 1 9 2 0 0 0 0 0 0 -7.861670 -1.879480 13.704000 1XA 0 0.63380 0.63380 UNCH C7 7 16 7 1 16 1 0 0 0 0 0 0 0 0 -6.529270 -2.011920 13.765700 1XA 0 -0.65000 -0.65000 UNCH O1 8 15 7 2 0 0 0 0 0 0 0 0 0 0 -8.407220 -0.837026 13.403300 1XA 0 -0.57000 -0.57000 UNCH O2 9 31 2 1 11 1 12 2 0 0 0 0 0 0 -7.022010 -4.610390 12.917900 1XA 0 0.90700 0.90700 UNCH N1 10 18 10 1 0 0 0 0 0 0 0 0 0 0 -6.093810 -5.332910 13.301900 1XA 0 -0.52000 -0.52000 UNCH O3 11 15 10 2 0 0 0 0 0 0 0 0 0 0 -7.133610 -4.104420 11.793900 1XA 0 -0.52000 -0.52000 UNCH O4 12 31 4 1 14 1 15 2 0 0 0 0 0 0 -10.584300 -6.523380 15.723900 1XA 0 0.90700 0.90700 UNCH N2 13 18 13 1 0 0 0 0 0 0 0 0 0 0 -10.195000 -7.640910 15.360500 1XA 0 -0.52000 -0.52000 UNCH O5 14 15 13 2 0 0 0 0 0 0 0 0 0 0 -11.521100 -6.319470 16.507000 1XA 0 -0.52000 -0.52000 UNCH O6 15 42 8 1 0 0 0 0 0 0 0 0 0 0 -6.171770 -1.151430 13.454100 1XA 0 0.50000 0.50000 UNCH H1 16 41 3 1 0 0 0 0 0 0 0 0 0 0 -8.413080 -6.530110 14.093700 1XA 0 0.15000 0.15000 UNCH H31 17 41 5 1 0 0 0 0 0 0 0 0 0 0 -11.211700 -3.910030 16.128599 1XA 0 0.15000 0.15000 UNCH H51 18 41 6 1 0 0 0 0 0 0 0 0 0 0 -10.030500 -1.943930 15.226900 1XA 0 0.15000 0.15000 UNCH H61 19 22 [BIPYCL01,22,22,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 -8.947810 -4.869280 16.040300 1XA 0 -0.17900 -0.17900 BIPY N1 1 2 1 1 8 1 3 2 0 0 0 0 0 0 -8.562710 -4.665120 14.756500 1XA 0 0.36100 0.36100 BIPY C1 2 2 2 2 14 1 4 1 0 0 0 0 0 0 -7.240780 -4.963990 14.397100 1XA 0 -0.15000 -0.15000 BIPY C2 3 2 3 1 15 1 5 2 0 0 0 0 0 0 -6.362320 -5.465630 15.354600 1XA 0 -0.15000 -0.15000 BIPY C3 4 2 4 2 16 1 6 1 0 0 0 0 0 0 -6.802160 -5.662910 16.657301 1XA 0 -0.15000 -0.15000 BIPY C4 5 2 1 2 5 1 17 1 0 0 0 0 0 0 -8.113420 -5.351530 16.982300 1XA 0 0.21100 0.21100 BIPY C5 6 25 18 1 12 2 8 1 0 0 0 0 0 0 -9.615930 -4.673530 12.592300 1XA 0 -0.17900 -0.17900 BIPY N2 7 2 2 1 7 1 9 2 0 0 0 0 0 0 -9.573190 -4.134110 13.835500 1XA 0 0.36100 0.36100 BIPY C6 8 2 8 2 19 1 10 1 0 0 0 0 0 0 -10.479800 -3.113500 14.155400 1XA 0 -0.15000 -0.15000 BIPY C7 9 2 9 1 20 1 11 2 0 0 0 0 0 0 -11.400200 -2.684700 13.201900 1XA 0 -0.15000 -0.15000 BIPY C8 10 2 10 2 21 1 12 1 0 0 0 0 0 0 -11.410300 -3.269460 11.942000 1XA 0 -0.15000 -0.15000 BIPY C9 11 2 7 2 11 1 22 1 0 0 0 0 0 0 -10.496600 -4.271790 11.654800 1XA 0 0.21100 0.21100 BIPY C10 12 43 1 1 0 0 0 0 0 0 0 0 0 0 -9.904850 -4.668570 16.342100 1XA 0 0.45700 0.45700 BIPY H1 13 41 3 1 0 0 0 0 0 0 0 0 0 0 -6.859430 -4.784780 13.392500 1XA 0 0.15000 0.15000 BIPY H2 14 41 4 1 0 0 0 0 0 0 0 0 0 0 -5.326880 -5.692810 15.092400 1XA 0 0.15000 0.15000 BIPY H3 15 41 5 1 0 0 0 0 0 0 0 0 0 0 -6.121420 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1XA 0 -0.15000 -0.15000 BITN C4 4 2 4 1 20 1 6 2 0 0 0 0 0 0 -11.349900 -3.463940 11.893200 1XA 0 -0.15000 -0.15000 BITN C5 5 2 1 1 5 2 7 1 0 0 0 0 0 0 -10.519900 -4.200500 12.762600 1XA 0 0.22720 0.22720 BITN C6 6 25 6 1 8 2 0 0 0 0 0 0 0 0 -9.635360 -3.667190 13.686000 1XA 0 -0.56530 -0.56530 BITN N1 7 2 7 2 10 1 9 1 0 0 0 0 0 0 -9.028980 -4.647780 14.322200 1XA 0 0.30210 0.30210 BITN C7 8 49 1 1 8 1 0 0 0 0 0 0 0 0 -9.463610 -6.234520 13.871800 1XA 0 -0.08000 -0.08000 BITN S1 9 25 8 1 14 1 11 1 0 0 0 0 0 0 -8.067300 -4.441610 15.327000 1XA 0 0.64560 0.64560 BITN N2 10 2 10 1 16 1 12 2 0 0 0 0 0 0 -7.574950 -3.247130 15.838800 1XA 0 -0.33160 -0.33160 BITN C8 11 2 11 2 21 1 13 1 0 0 0 0 0 0 -6.651770 -3.586480 16.804600 1XA 0 -0.15000 -0.15000 BITN C9 12 2 12 1 15 1 14 2 0 0 0 0 0 0 -6.634580 -4.992840 16.826000 1XA 0 0.10780 0.10780 BITN C10 13 25 10 1 13 2 0 0 0 0 0 0 0 0 -7.485270 -5.512730 15.938000 1XA 0 -0.70680 -0.70680 BITN N3 14 3 13 1 24 1 23 1 22 1 0 0 0 0 -5.816970 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1XA 0 -0.28700 -0.28700 BUYX O1 1 49 1 1 3 1 0 0 0 0 0 0 0 0 -11.002400 -4.849290 15.497900 1XA 0 -0.13400 -0.13400 BUYX S2 2 2 2 1 4 1 7 2 0 0 0 0 0 0 -10.254600 -4.706650 13.876900 1XA 0 0.64100 0.64100 BUYX C3 3 25 3 1 5 1 16 1 0 0 0 0 0 0 -10.518300 -5.729700 12.960900 1XA 0 -0.78820 -0.78820 BUYX N4 4 3 4 1 6 1 17 1 18 1 0 0 0 0 -10.668700 -7.126290 13.396400 1XA 0 0.36910 0.36910 BUYX C5 5 3 1 1 5 1 19 1 20 1 0 0 0 0 -11.467200 -7.247940 14.686400 1XA 0 0.28000 0.28000 BUYX C6 6 25 3 2 8 1 0 0 0 0 0 0 0 0 -9.519430 -3.687830 13.534600 1XA 0 -0.66100 -0.66100 BUYX N7 7 2 7 1 9 2 10 1 0 0 0 0 0 0 -9.330620 -2.669340 14.431700 1XA 0 0.69480 0.69480 BUYX C8 8 15 8 2 0 0 0 0 0 0 0 0 0 0 -10.166600 -1.801480 14.656500 1XA 0 -0.57000 -0.57000 BUYX O9 9 2 8 1 11 2 15 1 0 0 0 0 0 0 -7.999990 -2.615870 15.112600 1XA 0 0.08620 0.08620 BUYX C10 10 2 10 2 12 1 21 1 0 0 0 0 0 0 -7.779770 -1.648720 16.102800 1XA 0 -0.15000 -0.15000 BUYX C11 11 2 11 1 13 2 22 1 0 0 0 0 0 0 -6.548790 -1.580670 16.758101 1XA 0 -0.15000 -0.15000 BUYX C12 12 2 12 2 14 1 23 1 0 0 0 0 0 0 -5.532550 -2.476400 16.427401 1XA 0 -0.15000 -0.15000 BUYX C13 13 2 13 1 15 2 24 1 0 0 0 0 0 0 -5.743090 -3.440370 15.441600 1XA 0 -0.15000 -0.15000 BUYX C14 14 2 10 1 14 2 25 1 0 0 0 0 0 0 -6.973340 -3.511780 14.783800 1XA 0 -0.15000 -0.15000 BUYX C15 15 3 4 1 26 1 27 1 28 1 0 0 0 0 -10.015700 -5.582410 11.596100 1XA 0 0.36910 0.36910 BUYX C16 16 41 5 1 0 0 0 0 0 0 0 0 0 0 -9.665980 -7.545710 13.546200 1XA 0 0.00000 0.00000 BUYX H51 17 41 5 1 0 0 0 0 0 0 0 0 0 0 -11.165800 -7.714560 12.616800 1XA 0 0.00000 0.00000 BUYX H52 18 41 6 1 0 0 0 0 0 0 0 0 0 0 -11.490700 -8.292810 15.012700 1XA 0 0.00000 0.00000 BUYX H61 19 41 6 1 0 0 0 0 0 0 0 0 0 0 -12.506100 -6.914750 14.566200 1XA 0 0.00000 0.00000 BUYX H62 20 41 11 1 0 0 0 0 0 0 0 0 0 0 -8.568050 -0.946513 16.367500 1XA 0 0.15000 0.15000 BUYX H11 21 41 12 1 0 0 0 0 0 0 0 0 0 0 -6.384550 -0.828800 17.525999 1XA 0 0.15000 0.15000 BUYX H12 22 41 13 1 0 0 0 0 0 0 0 0 0 0 -4.574340 -2.422040 16.938400 1XA 0 0.15000 0.15000 BUYX H13 23 41 14 1 0 0 0 0 0 0 0 0 0 0 -4.948340 -4.135960 15.184000 1XA 0 0.15000 0.15000 BUYX H14 24 41 15 1 0 0 0 0 0 0 0 0 0 0 -7.118920 -4.265260 14.014400 1XA 0 0.15000 0.15000 BUYX H15 25 41 16 1 0 0 0 0 0 0 0 0 0 0 -8.928350 -5.710210 11.570900 1XA 0 0.00000 0.00000 BUYX H161 26 41 16 1 0 0 0 0 0 0 0 0 0 0 -10.465400 -6.326200 10.929500 1XA 0 0.00000 0.00000 BUYX H162 27 41 16 1 0 0 0 0 0 0 0 0 0 0 -10.268800 -4.597560 11.188800 1XA 0 0.00000 0.00000 BUYX H163 28 23 [CABWEH10,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 49 8 1 5 1 4 2 3 2 0 0 0 0 -7.084410 -3.391410 16.731100 1XA 0 1.08960 1.08960 CABW S1 1 2 23 1 13 2 9 1 0 0 0 0 0 0 -9.945260 -3.187860 12.971700 1XA 0 -0.15000 -0.15000 CABW C10 2 15 1 2 0 0 0 0 0 0 0 0 0 0 -5.816540 -4.088180 16.616301 1XA 0 -0.65000 -0.65000 CABW O1 3 15 1 2 0 0 0 0 0 0 0 0 0 0 -7.191050 -2.135210 17.449800 1XA 0 -0.65000 -0.65000 CABW O2 4 3 1 1 15 1 14 1 6 1 0 0 0 0 -7.775340 -3.179240 15.095000 1XA 0 0.24340 0.24340 CABW C1 5 2 5 1 9 1 7 2 0 0 0 0 0 0 -8.945920 -4.123440 15.069600 1XA 0 -0.16660 -0.16660 CABW C2 6 2 6 2 16 1 8 1 0 0 0 0 0 0 -9.208850 -4.779480 16.213301 1XA 0 -0.28820 -0.28820 CABW C3 7 3 1 1 7 1 18 1 17 1 0 0 0 0 -8.303760 -4.526370 17.376101 1XA 0 0.24340 0.24340 CABW C4 8 2 2 1 6 1 10 2 0 0 0 0 0 0 -9.743690 -4.272540 13.838100 1XA 0 0.02840 0.02840 CABW C5 9 2 9 2 19 1 11 1 0 0 0 0 0 0 -10.295800 -5.513300 13.481700 1XA 0 -0.15000 -0.15000 CABW C6 10 2 10 1 20 1 12 2 0 0 0 0 0 0 -11.035800 -5.661670 12.304800 1XA 0 -0.15000 -0.15000 CABW C7 11 2 11 2 21 1 13 1 0 0 0 0 0 0 -11.232100 -4.571750 11.462300 1XA 0 -0.15000 -0.15000 CABW C8 12 2 2 2 12 1 22 1 0 0 0 0 0 0 -10.686500 -3.335340 11.794900 1XA 0 -0.15000 -0.15000 CABW C9 13 41 5 1 0 0 0 0 0 0 0 0 0 0 -7.013720 -3.445710 14.358000 1XA 0 0.00000 0.00000 CABW H11 14 41 5 1 0 0 0 0 0 0 0 0 0 0 -8.077100 -2.134320 14.990900 1XA 0 0.00000 0.00000 CABW H12 15 41 7 1 0 0 0 0 0 0 0 0 0 0 -10.040100 -5.465470 16.333000 1XA 0 0.15000 0.15000 CABW H3 16 41 8 1 0 0 0 0 0 0 0 0 0 0 -7.804220 -5.439820 17.705000 1XA 0 0.00000 0.00000 CABW H41 17 41 8 1 0 0 0 0 0 0 0 0 0 0 -8.836760 -4.051190 18.202101 1XA 0 0.00000 0.00000 CABW H42 18 41 10 1 0 0 0 0 0 0 0 0 0 0 -10.144400 -6.390340 14.106700 1XA 0 0.15000 0.15000 CABW H6 19 41 11 1 0 0 0 0 0 0 0 0 0 0 -11.453600 -6.631190 12.045400 1XA 0 0.15000 0.15000 CABW H7 20 41 12 1 0 0 0 0 0 0 0 0 0 0 -11.807100 -4.686110 10.547100 1XA 0 0.15000 0.15000 CABW H8 21 41 13 1 0 0 0 0 0 0 0 0 0 0 -10.838400 -2.481440 11.139200 1XA 0 0.15000 0.15000 CABW H9 22 41 2 1 0 0 0 0 0 0 0 0 0 0 -9.546490 -2.202920 13.200500 1XA 0 0.15000 0.15000 CABW H10 23 4 [CAFORM07,4,4,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 2 2 2 3 1 4 1 0 0 0 0 0 0 -8.737320 -4.035300 14.562600 1XA 0 1.02030 1.02030 CAFO C2 1 15 1 2 0 0 0 0 0 0 0 0 0 0 -7.978970 -4.925390 15.031100 1XA 0 -0.90000 -0.90000 CAFO O3 2 18 1 1 0 0 0 0 0 0 0 0 0 0 -9.781780 -3.508890 15.030400 1XA 0 -0.90000 -0.90000 CAFO O4 3 41 1 1 0 0 0 0 0 0 0 0 0 0 -8.424360 -3.637490 13.538400 1XA 0 -0.22030 -0.22030 CAFO H2 4 21 [CAGREH10,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 49 3 1 4 1 5 2 6 2 0 0 0 0 -10.745300 -6.252540 15.251900 1XA 0 1.66740 1.66740 CAFO S1 1 49 4 1 7 2 8 2 9 1 0 0 0 0 -11.274700 -3.707390 16.091700 1XA 0 1.67170 1.67170 CAFO S2 2 16 1 1 10 1 0 0 0 0 0 0 0 0 -9.367840 -5.490580 14.896400 1XA 0 -0.33370 -0.33370 CAFO O1 3 16 1 1 2 1 0 0 0 0 0 0 0 0 -11.797600 -5.083680 15.492300 1XA 0 -0.36740 -0.36740 CAFO O2 4 15 1 2 0 0 0 0 0 0 0 0 0 0 -11.152400 -6.956880 14.051500 1XA 0 -0.65000 -0.65000 CAFO O3 5 15 1 2 0 0 0 0 0 0 0 0 0 0 -10.556700 -6.979430 16.488501 1XA 0 -0.65000 -0.65000 CAFO O4 6 15 2 2 0 0 0 0 0 0 0 0 0 0 -12.367900 -2.761860 16.029301 1XA 0 -0.65000 -0.65000 CAFO O5 7 15 2 2 0 0 0 0 0 0 0 0 0 0 -10.588600 -3.963110 17.337799 1XA 0 -0.65000 -0.65000 CAFO O6 8 25 2 1 10 2 0 0 0 0 0 0 0 0 -10.195800 -3.319430 14.964800 1XA 0 -0.63800 -0.63800 CAFO N1 9 2 3 1 9 2 11 1 0 0 0 0 0 0 -9.342770 -4.195330 14.571700 1XA 0 0.51380 0.51380 CAFO C1 10 2 10 1 12 2 16 1 0 0 0 0 0 0 -8.206990 -3.879400 13.671300 1XA 0 0.08620 0.08620 CAFO C2 11 2 11 2 13 1 17 1 0 0 0 0 0 0 -8.053700 -2.562540 13.214400 1XA 0 -0.15000 -0.15000 CAFO C3 12 2 12 1 14 2 18 1 0 0 0 0 0 0 -6.997410 -2.229700 12.363600 1XA 0 -0.15000 -0.15000 CAFO C4 13 2 13 2 15 1 19 1 0 0 0 0 0 0 -6.088620 -3.207450 11.964100 1XA 0 -0.15000 -0.15000 CAFO C5 14 2 14 1 16 2 20 1 0 0 0 0 0 0 -6.232520 -4.518830 12.413800 1XA 0 -0.15000 -0.15000 CAFO C6 15 2 11 1 15 2 21 1 0 0 0 0 0 0 -7.287470 -4.857280 13.265200 1XA 0 -0.15000 -0.15000 CAFO C7 16 41 12 1 0 0 0 0 0 0 0 0 0 0 -8.750510 -1.781670 13.513300 1XA 0 0.15000 0.15000 CAFO H3 17 41 13 1 0 0 0 0 0 0 0 0 0 0 -6.883600 -1.206390 12.012800 1XA 0 0.15000 0.15000 CAFO H4 18 41 14 1 0 0 0 0 0 0 0 0 0 0 -5.266180 -2.946820 11.301700 1XA 0 0.15000 0.15000 CAFO H5 19 41 15 1 0 0 0 0 0 0 0 0 0 0 -5.520690 -5.279600 12.100600 1XA 0 0.15000 0.15000 CAFO H6 20 41 16 1 0 0 0 0 0 0 0 0 0 0 -7.368460 -5.889220 13.597900 1XA 0 0.15000 0.15000 CAFO H7 21 27 [CALXES20,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 32 2 1 15 1 16 1 17 1 0 0 0 0 -11.029200 -5.894970 13.724300 1XA 0 -0.85300 -0.85300 CALX N1 1 3 1 1 3 1 4 1 21 1 0 0 0 0 -11.329200 -4.483650 14.037000 1XA 0 0.56400 0.56400 CALX C1 2 3 2 1 18 1 19 1 20 1 0 0 0 0 -12.176500 -4.438100 15.299500 1XA 0 0.00000 0.00000 CALX C2 3 2 2 1 5 2 6 1 0 0 0 0 0 0 -10.061600 -3.602570 14.149900 1XA 0 0.56900 0.56900 CALX C3 4 15 4 2 0 0 0 0 0 0 0 0 0 0 -9.780510 -2.780170 13.279800 1XA 0 -0.57000 -0.57000 CALX O1 5 25 4 1 7 1 22 1 0 0 0 0 0 0 -9.277830 -3.795300 15.268600 1XA 0 -0.73010 -0.73010 CALX N2 6 3 6 1 8 1 23 1 24 1 0 0 0 0 -7.995040 -3.104180 15.429200 1XA 0 0.36110 0.36110 CALX C4 7 2 7 1 9 2 10 1 0 0 0 0 0 0 -6.887070 -4.133290 15.209000 1XA 0 0.56900 0.56900 CALX C5 8 15 8 2 0 0 0 0 0 0 0 0 0 0 -6.301890 -4.670420 16.145100 1XA 0 -0.57000 -0.57000 CALX O2 9 25 8 1 11 1 25 1 0 0 0 0 0 0 -6.740070 -4.514910 13.883000 1XA 0 -0.73010 -0.73010 CALX N3 10 3 10 1 12 1 26 1 27 1 0 0 0 0 -6.795880 -5.961490 13.620400 1XA 0 0.19410 0.19410 CALX C6 11 2 11 1 13 2 14 1 0 0 0 0 0 0 -8.253420 -6.441700 13.627700 1XA 0 0.90600 0.90600 CALX C7 12 15 12 2 0 0 0 0 0 0 0 0 0 0 -8.854250 -6.572120 14.745000 1XA 0 -0.90000 -0.90000 CALX O3 13 18 12 1 0 0 0 0 0 0 0 0 0 0 -8.894130 -6.417240 12.529900 1XA 0 -0.90000 -0.90000 CALX O4 14 44 1 1 0 0 0 0 0 0 0 0 0 0 -10.375100 -6.317720 14.430400 1XA 0 0.45000 0.45000 CALX H1 15 44 1 1 0 0 0 0 0 0 0 0 0 0 -11.802100 -6.538500 13.576700 1XA 0 0.45000 0.45000 CALX H2 16 44 1 1 0 0 0 0 0 0 0 0 0 0 -10.385600 -5.982620 12.893600 1XA 0 0.45000 0.45000 CALX H3 17 41 3 1 0 0 0 0 0 0 0 0 0 0 -12.403600 -3.402700 15.575500 1XA 0 0.00000 0.00000 CALX H4 18 41 3 1 0 0 0 0 0 0 0 0 0 0 -11.666700 -4.902610 16.150801 1XA 0 0.00000 0.00000 CALX H5 19 41 3 1 0 0 0 0 0 0 0 0 0 0 -13.126300 -4.963370 15.151500 1XA 0 0.00000 0.00000 CALX H6 20 41 2 1 0 0 0 0 0 0 0 0 0 0 -11.917900 -4.108500 13.192400 1XA 0 0.00000 0.00000 CALX H7 21 43 6 1 0 0 0 0 0 0 0 0 0 0 -9.276120 -4.740770 15.662600 1XA 0 0.37000 0.37000 CALX H8 22 41 7 1 0 0 0 0 0 0 0 0 0 0 -7.938420 -2.733160 16.456400 1XA 0 0.00000 0.00000 CALX H9 23 41 7 1 0 0 0 0 0 0 0 0 0 0 -7.888320 -2.267330 14.733800 1XA 0 0.00000 0.00000 CALX H10 24 43 10 1 0 0 0 0 0 0 0 0 0 0 -7.294640 -3.981790 13.219900 1XA 0 0.37000 0.37000 CALX H11 25 41 11 1 0 0 0 0 0 0 0 0 0 0 -6.218450 -6.505290 14.374500 1XA 0 0.00000 0.00000 CALX H12 26 41 11 1 0 0 0 0 0 0 0 0 0 0 -6.348400 -6.131390 12.636600 1XA 0 0.00000 0.00000 CALX H13 27 9 [CAMALD03,9,9,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 2 5 1 4 2 2 1 0 0 0 0 0 0 -7.594060 -3.586340 14.423900 1XA 0 0.90600 0.90600 CAMA C1 1 3 1 1 9 1 8 1 3 1 0 0 0 0 -8.777680 -4.424170 14.832200 1XA 0 -0.21200 -0.21200 CAMA C2 2 2 2 1 7 2 6 1 0 0 0 0 0 0 -9.933330 -4.187880 13.895000 1XA 0 0.90600 0.90600 CAMA C3 3 15 1 2 0 0 0 0 0 0 0 0 0 0 -7.175140 -2.769620 15.307800 1XA 0 -0.90000 -0.90000 CAMA O1 4 18 1 1 0 0 0 0 0 0 0 0 0 0 -7.017290 -3.878990 13.333700 1XA 0 -0.90000 -0.90000 CAMA O2 5 18 3 1 0 0 0 0 0 0 0 0 0 0 -10.357900 -5.222120 13.283700 1XA 0 -0.90000 -0.90000 CAMA O3 6 15 3 2 0 0 0 0 0 0 0 0 0 0 -10.488100 -3.048450 13.924600 1XA 0 -0.90000 -0.90000 CAMA O4 7 41 2 1 0 0 0 0 0 0 0 0 0 0 -9.095000 -4.181150 15.852900 1XA 0 0.00000 0.00000 CAMA H21 8 41 2 1 0 0 0 0 0 0 0 0 0 0 -8.481520 -5.479610 14.829100 1XA 0 0.00000 0.00000 CAMA H22 9 50 [CEFMEN,50,50,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 49 18 1 21 1 0 0 0 0 0 0 0 0 2.774690 9.194220 7.374030 1XA 0 -0.44700 -0.44700 CEFM S1 1 49 29 1 30 1 0 0 0 0 0 0 0 0 6.192740 10.354600 14.778100 1XA 0 -0.08000 -0.08000 CEFM S2 2 49 31 1 32 1 0 0 0 0 0 0 0 0 0.578207 7.015500 3.437990 1XA 0 -0.28600 -0.28600 CEFM S3 3 15 23 2 0 0 0 0 0 0 0 0 0 0 6.713270 7.454100 6.753390 1XA 0 -0.57000 -0.57000 CEFM O1 4 15 24 2 0 0 0 0 0 0 0 0 0 0 5.540590 5.659530 4.416450 1XA 0 -0.57000 -0.57000 CEFM O2 5 16 24 1 36 1 0 0 0 0 0 0 0 0 5.194700 7.600540 3.356950 1XA 0 -0.65000 -0.65000 CEFM O3 6 15 25 2 0 0 0 0 0 0 0 0 0 0 3.826580 8.764980 10.977700 1XA 0 -0.57000 -0.57000 CEFM O4 7 16 11 1 27 1 0 0 0 0 0 0 0 0 4.853210 11.609000 8.886170 1XA 0 -0.21700 -0.21700 CEFM O5 8 25 20 1 21 1 23 1 0 0 0 0 0 0 4.375570 7.193980 6.650140 1XA 0 -0.39400 -0.39400 CEFM N1 9 25 22 1 25 1 39 1 0 0 0 0 0 0 5.319910 8.961840 9.241780 1XA 0 -0.65500 -0.65500 CEFM N2 10 25 8 1 26 2 0 0 0 0 0 0 0 0 5.304060 11.806500 10.197200 1XA 0 -0.51300 -0.51300 CEFM N3 11 25 28 1 30 2 0 0 0 0 0 0 0 0 6.169450 12.029500 12.840200 1XA 0 -0.56530 -0.56530 CEFM N4 12 25 30 1 42 1 43 1 0 0 0 0 0 0 7.012510 12.898300 14.830300 1XA 0 -0.88400 -0.88400 CEFM N5 13 25 15 1 32 1 33 1 0 0 0 0 0 0 -0.029655 4.356900 3.587620 1XA 0 0.31400 0.31400 CEFM N6 14 25 14 1 16 2 0 0 0 0 0 0 0 0 0.544958 3.165470 3.827760 1XA 0 -0.41800 -0.41800 CEFM N7 15 25 15 2 17 1 0 0 0 0 0 0 0 0 1.826780 3.435680 4.039530 1XA 0 0.00000 0.00000 CEFM N8 16 25 16 1 32 2 0 0 0 0 0 0 0 0 2.070600 4.785360 3.940360 1XA 0 -0.33810 -0.33810 CEFM N9 17 3 1 1 19 1 34 1 35 1 0 0 0 0 1.864430 8.466710 5.982250 1XA 0 0.36820 0.36820 CEFM C1 18 2 18 1 20 2 31 1 0 0 0 0 0 0 2.769480 7.763120 4.989320 1XA 0 -0.27640 -0.27640 CEFM C2 19 2 9 1 19 2 24 1 0 0 0 0 0 0 3.976170 7.255170 5.344290 1XA 0 0.12340 0.12340 CEFM C3 20 3 1 1 9 1 22 1 37 1 0 0 0 0 3.591010 7.625460 7.791470 1XA 0 0.44200 0.44200 CEFM C4 21 3 10 1 21 1 23 1 38 1 0 0 0 0 4.933360 7.688570 8.585710 1XA 0 0.27800 0.27800 CEFM C5 22 2 4 2 9 1 22 1 0 0 0 0 0 0 5.594130 7.403640 7.206970 1XA 0 0.57700 0.57700 CEFM C6 23 2 5 2 6 1 20 1 0 0 0 0 0 0 4.951830 6.722780 4.349060 1XA 0 0.70560 0.70560 CEFM C7 24 2 7 2 10 1 26 1 0 0 0 0 0 0 4.691440 9.398540 10.388600 1XA 0 0.63000 0.63000 CEFM C8 25 2 11 2 25 1 28 1 0 0 0 0 0 0 5.200820 10.735700 10.936600 1XA 0 0.53600 0.53600 CEFM C9 26 3 8 1 40 1 46 1 47 1 0 0 0 0 4.858510 12.864900 8.215740 1XA 0 0.28000 0.28000 CEFM C10 27 2 12 1 26 1 29 2 0 0 0 0 0 0 5.633100 10.841000 12.334600 1XA 0 0.14120 0.14120 CEFM C11 28 2 2 1 28 2 41 1 0 0 0 0 0 0 5.579500 9.820920 13.269500 1XA 0 -0.11000 -0.11000 CEFM C12 29 2 2 1 12 2 13 1 0 0 0 0 0 0 6.480940 11.902300 14.103500 1XA 0 0.46210 0.46210 CEFM C13 30 3 3 1 19 1 44 1 45 1 0 0 0 0 2.243890 7.746080 3.565080 1XA 0 0.36820 0.36820 CEFM C14 31 2 3 1 14 1 17 2 0 0 0 0 0 0 0.914002 5.338890 3.663800 1XA 0 0.24250 0.24250 CEFM C15 32 3 14 1 48 1 49 1 50 1 0 0 0 0 -1.434830 4.449510 3.308890 1XA 0 0.25560 0.25560 CEFM C16 33 41 18 1 0 0 0 0 0 0 0 0 0 0 1.344820 9.299060 5.495970 1XA 0 0.00000 0.00000 CEFM H11 34 41 18 1 0 0 0 0 0 0 0 0 0 0 1.108130 7.774870 6.367940 1XA 0 0.00000 0.00000 CEFM H12 35 42 6 1 0 0 0 0 0 0 0 0 0 0 5.914980 7.159860 2.857480 1XA 0 0.50000 0.50000 CEFM H31 36 41 21 1 0 0 0 0 0 0 0 0 0 0 2.909980 6.847980 8.156160 1XA 0 0.00000 0.00000 CEFM H41 37 41 22 1 0 0 0 0 0 0 0 0 0 0 5.072740 6.846110 9.276320 1XA 0 0.00000 0.00000 CEFM H51 38 43 10 1 0 0 0 0 0 0 0 0 0 0 5.877570 9.655580 8.746460 1XA 0 0.37000 0.37000 CEFM H21 39 41 27 1 0 0 0 0 0 0 0 0 0 0 5.873390 13.272900 8.184290 1XA 0 0.00000 0.00000 CEFM H103 40 41 29 1 0 0 0 0 0 0 0 0 0 0 5.213960 8.809800 13.157100 1XA 0 0.15000 0.15000 CEFM H121 41 43 13 1 0 0 0 0 0 0 0 0 0 0 7.402340 13.658600 14.283700 1XA 0 0.40000 0.40000 CEFM H510 42 43 13 1 0 0 0 0 0 0 0 0 0 0 7.575630 12.640100 15.630900 1XA 0 0.40000 0.40000 CEFM H520 43 41 31 1 0 0 0 0 0 0 0 0 0 0 2.882010 7.205970 2.862650 1XA 0 0.00000 0.00000 CEFM H141 44 41 31 1 0 0 0 0 0 0 0 0 0 0 2.181200 8.778210 3.202240 1XA 0 0.00000 0.00000 CEFM H142 45 41 27 1 0 0 0 0 0 0 0 0 0 0 4.508170 12.710600 7.191860 1XA 0 0.00000 0.00000 CEFM H1 46 41 27 1 0 0 0 0 0 0 0 0 0 0 4.184220 13.565000 8.718330 1XA 0 0.00000 0.00000 CEFM H2 47 41 33 1 0 0 0 0 0 0 0 0 0 0 -1.906080 5.061110 4.082150 1XA 0 0.00000 0.00000 CEFM H4 48 41 33 1 0 0 0 0 0 0 0 0 0 0 -1.568490 4.902140 2.323330 1XA 0 0.00000 0.00000 CEFM H5 49 41 33 1 0 0 0 0 0 0 0 0 0 0 -1.876760 3.449480 3.313950 1XA 0 0.00000 0.00000 CEFM H6 50 32 [CETROI01,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 49 2 1 10 1 0 0 0 0 0 0 0 0 -10.124500 -2.806940 15.605600 1XA 0 -0.46000 -0.46000 UNCH S1 1 3 1 1 3 1 11 1 18 1 0 0 0 0 -8.752870 -1.587100 15.478800 1XA 0 0.43000 0.43000 UNCH C1 2 3 2 1 4 1 13 1 19 1 0 0 0 0 -7.399370 -2.308710 15.664600 1XA 0 0.28000 0.28000 UNCH C2 3 16 3 1 5 1 0 0 0 0 0 0 0 0 -7.141220 -3.289310 14.643100 1XA 0 -0.56000 -0.56000 UNCH O1 4 3 4 1 6 1 10 1 20 1 0 0 0 0 -8.059380 -4.397960 14.693300 1XA 0 0.28000 0.28000 UNCH C3 5 3 5 1 7 1 14 1 21 1 0 0 0 0 -7.592060 -5.425380 13.654900 1XA 0 0.28000 0.28000 UNCH C4 6 3 6 1 8 1 15 1 22 1 0 0 0 0 -8.559190 -6.610390 13.578400 1XA 0 0.28000 0.28000 UNCH C5 7 3 7 1 9 1 16 1 23 1 0 0 0 0 -9.986260 -6.101480 13.347900 1XA 0 0.28000 0.28000 UNCH C6 8 16 8 1 10 1 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 -7.986320 -4.865140 15.685700 1XA 0 0.00000 0.00000 UNCH H3 20 41 6 1 0 0 0 0 0 0 0 0 0 0 -7.483670 -4.957080 12.668300 1XA 0 0.00000 0.00000 UNCH H4 21 41 7 1 0 0 0 0 0 0 0 0 0 0 -8.504490 -7.180190 14.514700 1XA 0 0.00000 0.00000 UNCH H5 22 41 8 1 0 0 0 0 0 0 0 0 0 0 -10.076000 -5.607370 12.371200 1XA 0 0.00000 0.00000 UNCH H6 23 41 10 1 0 0 0 0 0 0 0 0 0 0 -9.577280 -3.510440 13.388200 1XA 0 0.00000 0.00000 UNCH H7 24 41 13 1 0 0 0 0 0 0 0 0 0 0 -6.346630 -0.552253 16.412800 1XA 0 0.00000 0.00000 UNCH H8 25 41 13 1 0 0 0 0 0 0 0 0 0 0 -6.072460 -0.878173 14.681600 1XA 0 0.00000 0.00000 UNCH H9 26 41 13 1 0 0 0 0 0 0 0 0 0 0 -5.290150 -1.879690 15.887300 1XA 0 0.00000 0.00000 UNCH H10 27 41 16 1 0 0 0 0 0 0 0 0 0 0 -10.818100 -7.985070 12.609900 1XA 0 0.00000 0.00000 UNCH H11 28 41 16 1 0 0 0 0 0 0 0 0 0 0 -10.989000 -7.748390 14.366700 1XA 0 0.00000 0.00000 UNCH H12 29 42 14 1 0 0 0 0 0 0 0 0 0 0 -5.729340 -5.124840 14.121800 1XA 0 0.40000 0.40000 UNCH H13 30 42 15 1 0 0 0 0 0 0 0 0 0 0 -7.187820 -7.626310 12.667500 1XA 0 0.40000 0.40000 UNCH H14 31 42 17 1 0 0 0 0 0 0 0 0 0 0 -12.394400 -5.970690 13.831100 1XA 0 0.40000 0.40000 UNCH H15 32 35 [CEWCUC10,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 53 2 2 3 1 9 1 15 1 0 0 0 0 -8.317770 -2.692070 13.571000 1XA 0 1.11700 1.11700 UNCH P1 1 15 1 2 0 0 0 0 0 0 0 0 0 0 -7.243770 -1.726760 13.095100 1XA 0 -0.70000 -0.70000 UNCH O1 2 2 1 1 4 2 8 1 0 0 0 0 0 0 -9.776180 -2.602360 12.512800 1XA 0 -0.13900 -0.13900 UNCH C1 3 2 3 2 5 1 21 1 0 0 0 0 0 0 -10.155500 -1.354030 11.994100 1XA 0 -0.15000 -0.15000 UNCH C2 4 2 4 1 6 2 22 1 0 0 0 0 0 0 -11.284000 -1.231570 11.183400 1XA 0 -0.15000 -0.15000 UNCH C3 5 2 5 2 7 1 23 1 0 0 0 0 0 0 -12.047000 -2.356530 10.879400 1XA 0 -0.15000 -0.15000 UNCH C4 6 2 6 1 8 2 24 1 0 0 0 0 0 0 -11.680900 -3.603120 11.383400 1XA 0 -0.15000 -0.15000 UNCH C5 7 2 3 1 7 2 25 1 0 0 0 0 0 0 -10.551600 -3.727120 12.195400 1XA 0 -0.15000 -0.15000 UNCH C6 8 2 1 1 10 2 14 1 0 0 0 0 0 0 -7.711350 -4.390990 13.544700 1XA 0 -0.13900 -0.13900 UNCH C7 9 2 9 2 11 1 26 1 0 0 0 0 0 0 -6.846980 -4.781030 12.509300 1XA 0 -0.15000 -0.15000 UNCH C8 10 2 10 1 12 2 27 1 0 0 0 0 0 0 -6.363530 -6.087550 12.437900 1XA 0 -0.15000 -0.15000 UNCH C9 11 2 11 2 13 1 28 1 0 0 0 0 0 0 -6.737070 -7.020660 13.402200 1XA 0 -0.15000 -0.15000 UNCH C10 12 2 12 1 14 2 29 1 0 0 0 0 0 0 -7.591050 -6.647530 14.438300 1XA 0 -0.15000 -0.15000 UNCH C11 13 2 9 1 13 2 30 1 0 0 0 0 0 0 -8.076030 -5.340050 14.510800 1XA 0 -0.15000 -0.15000 UNCH C12 14 2 1 1 16 2 20 1 0 0 0 0 0 0 -8.826370 -2.305790 15.258200 1XA 0 -0.13900 -0.13900 UNCH C13 15 2 15 2 17 1 31 1 0 0 0 0 0 0 -7.855690 -1.855640 16.167299 1XA 0 -0.15000 -0.15000 UNCH C14 16 2 16 1 18 2 32 1 0 0 0 0 0 0 -8.197430 -1.558510 17.486700 1XA 0 -0.15000 -0.15000 UNCH C15 17 2 17 2 19 1 33 1 0 0 0 0 0 0 -9.514980 -1.706200 17.913601 1XA 0 -0.15000 -0.15000 UNCH C16 18 2 18 1 20 2 34 1 0 0 0 0 0 0 -10.490500 -2.148080 17.021900 1XA 0 -0.15000 -0.15000 UNCH C17 19 2 15 1 19 2 35 1 0 0 0 0 0 0 -10.149800 -2.446200 15.701000 1XA 0 -0.15000 -0.15000 UNCH C18 20 41 4 1 0 0 0 0 0 0 0 0 0 0 -9.558160 -0.472103 12.222400 1XA 0 0.15000 0.15000 UNCH H10 21 41 5 1 0 0 0 0 0 0 0 0 0 0 -11.563800 -0.259114 10.786100 1XA 0 0.15000 0.15000 UNCH H11 22 41 6 1 0 0 0 0 0 0 0 0 0 0 -12.924400 -2.262370 10.244800 1XA 0 0.15000 0.15000 UNCH H12 23 41 7 1 0 0 0 0 0 0 0 0 0 0 -12.273900 -4.481360 11.140000 1XA 0 0.15000 0.15000 UNCH H13 24 41 8 1 0 0 0 0 0 0 0 0 0 0 -10.285900 -4.711190 12.573000 1XA 0 0.15000 0.15000 UNCH H14 25 41 10 1 0 0 0 0 0 0 0 0 0 0 -6.545580 -4.053400 11.756700 1XA 0 0.15000 0.15000 UNCH H15 26 41 11 1 0 0 0 0 0 0 0 0 0 0 -5.692310 -6.374470 11.632400 1XA 0 0.15000 0.15000 UNCH H16 27 41 12 1 0 0 0 0 0 0 0 0 0 0 -6.357830 -8.037990 13.349100 1XA 0 0.15000 0.15000 UNCH H17 28 41 13 1 0 0 0 0 0 0 0 0 0 0 -7.876600 -7.375450 15.193800 1XA 0 0.15000 0.15000 UNCH H18 29 41 14 1 0 0 0 0 0 0 0 0 0 0 -8.738140 -5.073840 15.330800 1XA 0 0.15000 0.15000 UNCH H19 30 41 16 1 0 0 0 0 0 0 0 0 0 0 -6.825150 -1.731150 15.836800 1XA 0 0.15000 0.15000 UNCH H20 31 41 17 1 0 0 0 0 0 0 0 0 0 0 -7.435880 -1.207770 18.178600 1XA 0 0.15000 0.15000 UNCH H21 32 41 18 1 0 0 0 0 0 0 0 0 0 0 -9.782630 -1.471390 18.940599 1XA 0 0.15000 0.15000 UNCH H22 33 41 19 1 0 0 0 0 0 0 0 0 0 0 -11.519800 -2.256730 17.355101 1XA 0 0.15000 0.15000 UNCH H23 34 41 20 1 0 0 0 0 0 0 0 0 0 0 -10.930100 -2.785990 15.024800 1XA 0 0.15000 0.15000 UNCH H24 35 30 [CEWVIJ10,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 15 7 2 0 0 0 0 0 0 0 0 0 0 -10.106800 -2.822230 15.486400 1XA 0 -0.57000 -0.57000 UNCH O1 1 15 10 2 0 0 0 0 0 0 0 0 0 0 -6.940340 -2.057370 12.191800 1XA 0 -0.57000 -0.57000 UNCH O2 2 25 7 1 10 1 12 1 0 0 0 0 0 0 -8.542090 -2.409500 13.846700 1XA 0 -0.42010 -0.42010 UNCH N1 3 25 7 1 8 1 13 1 0 0 0 0 0 0 -9.458090 -4.603030 14.178100 1XA 0 -0.42310 -0.42310 UNCH N2 4 25 9 1 11 1 17 1 0 0 0 0 0 0 -7.189280 -4.934760 11.552100 1XA 0 0.03320 0.03320 UNCH N3 5 25 8 1 11 2 0 0 0 0 0 0 0 0 -8.566940 -6.295580 12.650700 1XA 0 -0.56530 -0.56530 UNCH N4 6 2 1 2 3 1 4 1 0 0 0 0 0 0 -9.415270 -3.258120 14.560800 1XA 0 0.69000 0.69000 UNCH C1 7 2 4 1 6 1 9 2 0 0 0 0 0 0 -8.653990 -5.030200 13.147700 1XA 0 0.29020 0.29020 UNCH C2 8 2 5 1 8 2 10 1 0 0 0 0 0 0 -7.822400 -4.177690 12.493300 1XA 0 -0.23660 -0.23660 UNCH C3 9 2 2 2 3 1 9 1 0 0 0 0 0 0 -7.704940 -2.799540 12.799300 1XA 0 0.71500 0.71500 UNCH C4 10 2 5 1 6 2 18 1 0 0 0 0 0 0 -7.672760 -6.210650 11.685600 1XA 0 0.03650 0.03650 UNCH C5 11 3 3 1 19 1 20 1 21 1 0 0 0 0 -8.514770 -1.020940 14.261700 1XA 0 0.30010 0.30010 UNCH C6 12 3 4 1 14 1 22 1 23 1 0 0 0 0 -10.332100 -5.540840 14.879500 1XA 0 0.30010 0.30010 UNCH C7 13 3 13 1 15 1 16 1 24 1 0 0 0 0 -9.589810 -6.416370 15.908000 1XA 0 0.00000 0.00000 UNCH C8 14 3 14 1 25 1 26 1 27 1 0 0 0 0 -10.535200 -7.488410 16.453600 1XA 0 0.00000 0.00000 UNCH C9 15 3 14 1 28 1 29 1 30 1 0 0 0 0 -9.018680 -5.591720 17.062700 1XA 0 0.00000 0.00000 UNCH C10 16 43 5 1 0 0 0 0 0 0 0 0 0 0 -6.497880 -4.610510 10.887800 1XA 0 0.27000 0.27000 UNCH H1 17 41 11 1 0 0 0 0 0 0 0 0 0 0 -7.338170 -7.025790 11.056900 1XA 0 0.15000 0.15000 UNCH H2 18 41 12 1 0 0 0 0 0 0 0 0 0 0 -8.190560 -0.970046 15.306300 1XA 0 0.00000 0.00000 UNCH H3 19 41 12 1 0 0 0 0 0 0 0 0 0 0 -9.526270 -0.607255 14.193200 1XA 0 0.00000 0.00000 UNCH H4 20 41 12 1 0 0 0 0 0 0 0 0 0 0 -7.841830 -0.413857 13.651100 1XA 0 0.00000 0.00000 UNCH H5 21 41 13 1 0 0 0 0 0 0 0 0 0 0 -11.139100 -4.988860 15.376500 1XA 0 0.00000 0.00000 UNCH H6 22 41 13 1 0 0 0 0 0 0 0 0 0 0 -10.815900 -6.173170 14.123800 1XA 0 0.00000 0.00000 UNCH H7 23 41 14 1 0 0 0 0 0 0 0 0 0 0 -8.754220 -6.926910 15.413400 1XA 0 0.00000 0.00000 UNCH H8 24 41 15 1 0 0 0 0 0 0 0 0 0 0 -10.919200 -8.117150 15.643300 1XA 0 0.00000 0.00000 UNCH H9 25 41 15 1 0 0 0 0 0 0 0 0 0 0 -11.390700 -7.039130 16.969500 1XA 0 0.00000 0.00000 UNCH H10 26 41 15 1 0 0 0 0 0 0 0 0 0 0 -10.015900 -8.140990 17.163500 1XA 0 0.00000 0.00000 UNCH H11 27 41 16 1 0 0 0 0 0 0 0 0 0 0 -8.262860 -4.884000 16.708300 1XA 0 0.00000 0.00000 UNCH H12 28 41 16 1 0 0 0 0 0 0 0 0 0 0 -8.535740 -6.241030 17.800900 1XA 0 0.00000 0.00000 UNCH H13 29 41 16 1 0 0 0 0 0 0 0 0 0 0 -9.804530 -5.025990 17.574400 1XA 0 0.00000 0.00000 UNCH H14 30 22 [CEWYIM30,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 16 15 1 4 1 0 0 0 0 0 0 0 0 -7.508750 -7.039030 14.044200 1XA 0 -0.53250 -0.53250 CEWY O1 1 16 16 1 10 1 0 0 0 0 0 0 0 0 -7.692910 -5.114910 17.258400 1XA 0 -0.53250 -0.53250 CEWY O2 2 2 9 1 8 1 4 2 0 0 0 0 0 0 -8.593480 -4.908530 14.080600 1XA 0 0.00000 0.00000 CEWY C1 3 2 1 1 3 2 5 1 0 0 0 0 0 0 -8.117620 -6.000610 13.424300 1XA 0 0.08250 0.08250 CEWY C2 4 2 4 1 17 1 6 2 0 0 0 0 0 0 -8.312560 -6.028150 12.043400 1XA 0 -0.15000 -0.15000 CEWY C3 5 2 5 2 18 1 7 1 0 0 0 0 0 0 -9.007450 -4.978750 11.383700 1XA 0 -0.15000 -0.15000 CEWY C4 6 2 6 1 19 1 8 2 0 0 0 0 0 0 -9.521070 -3.883220 12.092400 1XA 0 -0.15000 -0.15000 CEWY C5 7 2 3 1 7 2 14 1 0 0 0 0 0 0 -9.287940 -3.895310 13.435900 1XA 0 0.00000 0.00000 CEWY C6 8 2 3 1 14 1 10 2 0 0 0 0 0 0 -8.740120 -4.234580 15.297400 1XA 0 0.00000 0.00000 CEWY C7 9 2 2 1 9 2 11 1 0 0 0 0 0 0 -8.467470 -4.199580 16.629499 1XA 0 0.08250 0.08250 CEWY C8 10 2 10 1 20 1 12 2 0 0 0 0 0 0 -9.008950 -3.132050 17.345600 1XA 0 -0.15000 -0.15000 CEWY C9 11 2 11 2 21 1 13 1 0 0 0 0 0 0 -9.769660 -2.125760 16.691299 1XA 0 -0.15000 -0.15000 CEWY C10 12 2 12 1 22 1 14 2 0 0 0 0 0 0 -10.002100 -2.167660 15.309100 1XA 0 -0.15000 -0.15000 CEWY C11 13 2 8 1 9 1 13 2 0 0 0 0 0 0 -9.467100 -3.240370 14.659000 1XA 0 0.00000 0.00000 CEWY C12 14 42 1 1 0 0 0 0 0 0 0 0 0 0 -7.845780 -7.067030 14.956500 1XA 0 0.45000 0.45000 CEWY H1 15 42 2 1 0 0 0 0 0 0 0 0 0 0 -7.079700 -5.476960 16.595400 1XA 0 0.45000 0.45000 CEWY H2 16 41 5 1 0 0 0 0 0 0 0 0 0 0 -7.943700 -6.871910 11.464900 1XA 0 0.15000 0.15000 CEWY H3 17 41 6 1 0 0 0 0 0 0 0 0 0 0 -9.150060 -5.035910 10.306200 1XA 0 0.15000 0.15000 CEWY H4 18 41 7 1 0 0 0 0 0 0 0 0 0 0 -10.061600 -3.084290 11.602000 1XA 0 0.15000 0.15000 CEWY H5 19 41 11 1 0 0 0 0 0 0 0 0 0 0 -8.832720 -3.058090 18.416201 1XA 0 0.15000 0.15000 CEWY H6 20 41 12 1 0 0 0 0 0 0 0 0 0 0 -10.170200 -1.301540 17.278400 1XA 0 0.15000 0.15000 CEWY H7 21 41 13 1 0 0 0 0 0 0 0 0 0 0 -10.570200 -1.401030 14.798700 1XA 0 0.15000 0.15000 CEWY H8 22 17 [CIHWUL10,17,17,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 -9.915320 -6.324500 16.038601 1XA 0 -0.29600 -0.29600 UNCH O1 1 16 6 1 7 1 0 0 0 0 0 0 0 0 -7.138580 -4.202390 14.641200 1XA 0 -0.29600 -0.29600 UNCH O2 2 16 8 1 9 1 0 0 0 0 0 0 0 0 -9.700640 -2.121880 12.831900 1XA 0 -0.29600 -0.29600 UNCH O3 3 3 1 1 5 1 10 1 11 1 0 0 0 0 -9.830250 -5.178500 16.888399 1XA 0 -0.05200 -0.05200 UNCH C1 4 3 1 1 4 1 6 1 12 1 0 0 0 0 -8.676110 -5.592600 16.008600 1XA 0 0.04800 0.04800 UNCH C2 5 3 2 1 5 1 7 1 13 1 0 0 0 0 -8.357220 -4.960060 14.670400 1XA 0 0.04800 0.04800 UNCH C3 6 3 2 1 6 1 8 1 14 1 0 0 0 0 -8.349920 -3.463650 14.424600 1XA 0 0.04800 0.04800 UNCH C4 7 3 3 1 7 1 9 1 15 1 0 0 0 0 -8.469510 -2.834540 13.052500 1XA 0 0.04800 0.04800 UNCH C5 8 3 3 1 8 1 16 1 17 1 0 0 0 0 -9.468470 -3.265410 12.006600 1XA 0 -0.05200 -0.05200 UNCH C6 9 41 4 1 0 0 0 0 0 0 0 0 0 0 -10.411900 -4.307730 16.614401 1XA 0 0.10000 0.10000 UNCH H1 10 41 4 1 0 0 0 0 0 0 0 0 0 0 -9.747420 -5.349380 17.954399 1XA 0 0.10000 0.10000 UNCH H2 11 41 5 1 0 0 0 0 0 0 0 0 0 0 -7.833880 -6.065930 16.506399 1XA 0 0.10000 0.10000 UNCH H3 12 41 6 1 0 0 0 0 0 0 0 0 0 0 -8.539920 -5.598010 13.810200 1XA 0 0.10000 0.10000 UNCH H4 13 41 7 1 0 0 0 0 0 0 0 0 0 0 -8.672270 -2.829650 15.245800 1XA 0 0.10000 0.10000 UNCH H5 14 41 8 1 0 0 0 0 0 0 0 0 0 0 -7.568330 -2.347620 12.689300 1XA 0 0.10000 0.10000 UNCH H6 15 41 9 1 0 0 0 0 0 0 0 0 0 0 -10.071700 -4.145420 12.189100 1XA 0 0.10000 0.10000 UNCH H7 16 41 9 1 0 0 0 0 0 0 0 0 0 0 -9.225760 -3.091990 10.965700 1XA 0 0.10000 0.10000 UNCH H8 17 25 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0 0 -10.287700 -2.422890 12.451300 1XA 0 -0.57000 -0.57000 CIJX O12 11 43 10 1 0 0 0 0 0 0 0 0 0 0 -7.674500 -6.115570 14.069400 1XA 0 0.40000 0.40000 CIJX H1 12 41 1 1 0 0 0 0 0 0 0 0 0 0 -9.984070 -6.712500 13.913800 1XA 0 0.00000 0.00000 CIJX H7 13 41 2 1 0 0 0 0 0 0 0 0 0 0 -10.079900 -5.760420 16.229500 1XA 0 0.00000 0.00000 CIJX H81 14 41 2 1 0 0 0 0 0 0 0 0 0 0 -11.536400 -5.254230 15.380400 1XA 0 0.00000 0.00000 CIJX H82 15 41 3 1 0 0 0 0 0 0 0 0 0 0 -9.408950 -3.638770 16.557199 1XA 0 0.00000 0.00000 CIJX H9 16 41 4 1 0 0 0 0 0 0 0 0 0 0 -8.819690 -2.150360 14.568500 1XA 0 0.00000 0.00000 CIJX H10 17 41 7 1 0 0 0 0 0 0 0 0 0 0 -11.476800 -4.868840 12.838300 1XA 0 0.00000 0.00000 CIJX H131 18 41 7 1 0 0 0 0 0 0 0 0 0 0 -9.935780 -5.095330 11.950600 1XA 0 0.00000 0.00000 CIJX H132 19 41 8 1 0 0 0 0 0 0 0 0 0 0 -11.779500 -3.098080 16.797600 1XA 0 0.00000 0.00000 CIJX H141 20 41 8 1 0 0 0 0 0 0 0 0 0 0 -10.921600 -1.729850 16.072300 1XA 0 0.00000 0.00000 CIJX H142 21 41 8 1 0 0 0 0 0 0 0 0 0 0 -11.939900 -2.775150 15.066300 1XA 0 0.00000 0.00000 CIJX H143 22 41 9 1 0 0 0 0 0 0 0 0 0 0 -6.329110 -3.053890 13.681000 1XA 0 0.00000 0.00000 CIJX H151 23 41 9 1 0 0 0 0 0 0 0 0 0 0 -5.914680 -4.638890 14.377200 1XA 0 0.00000 0.00000 CIJX H152 24 41 9 1 0 0 0 0 0 0 0 0 0 0 -6.403490 -3.297170 15.439700 1XA 0 0.00000 0.00000 CIJX H153 25 20 [CIKSEU10,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 25 12 1 2 2 0 0 0 0 0 0 0 0 -7.329070 -5.792230 12.914400 1XA 0 -0.62100 -0.62100 CIKS N1 1 2 1 2 20 1 3 1 0 0 0 0 0 0 -7.927090 -6.659610 13.674500 1XA 0 0.60100 0.60100 CIKS C2 2 25 2 1 4 2 0 0 0 0 0 0 0 0 -8.901300 -6.392870 14.610400 1XA 0 -0.66100 -0.66100 CIKS N3 3 2 3 2 13 1 5 1 0 0 0 0 0 0 -9.255870 -5.144980 14.743900 1XA 0 0.48560 0.48560 CIKS C3 4 2 4 1 14 1 6 2 0 0 0 0 0 0 -10.303100 -4.756020 15.731500 1XA 0 0.07940 0.07940 CIKS C4 5 2 5 2 16 1 7 1 0 0 0 0 0 0 -10.585100 -3.440270 15.779500 1XA 0 0.02100 0.02100 CIKS C5 6 25 6 1 8 2 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 -7.016890 -1.420470 11.812300 1XA 0 0.15000 0.15000 CIKS H5 18 41 11 1 0 0 0 0 0 0 0 0 0 0 -6.379610 -3.795660 11.596100 1XA 0 0.15000 0.15000 CIKS H4 19 41 2 1 0 0 0 0 0 0 0 0 0 0 -7.637370 -7.719620 13.572600 1XA 0 0.06000 0.06000 CIKS H2 20 35 [CILBII,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 # 3 2 1 8 1 18 1 26 1 0 0 0 0 -10.487600 -4.955260 13.777700 1XA 0 0.56000 0.56000 CIKS C1 1 3 1 1 3 1 9 1 27 1 0 0 0 0 -9.733220 -5.325150 12.487600 1XA 0 0.28000 0.28000 CIKS C2 2 3 2 1 4 1 12 1 28 1 0 0 0 0 -8.277030 -5.680620 12.835500 1XA 0 0.28000 0.28000 CIKS C3 3 3 3 1 5 1 15 1 29 1 0 0 0 0 -7.615160 -4.558030 13.667400 1XA 0 0.28000 0.28000 CIKS C4 4 3 4 1 6 1 18 1 30 1 0 0 0 0 -8.495190 -4.256060 14.891200 1XA 0 0.28000 0.28000 CIKS C5 5 3 5 1 19 1 31 1 32 1 0 0 0 0 -7.962990 -3.091030 15.740800 1XA 0 0.28000 0.28000 CIKS C6 6 3 8 1 33 1 34 1 35 1 0 0 0 0 -12.631700 -4.304020 14.545200 1XA 0 0.28000 0.28000 CIKS C7 7 16 1 1 7 1 0 0 0 0 0 0 0 0 -11.800500 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1 0 0 0 0 0 0 0 0 -8.788900 -2.993270 16.904400 1XA 0 -0.27100 -0.27100 CIKS O6 19 18 25 1 0 0 0 0 0 0 0 0 0 0 -9.157510 -1.802340 18.720800 1XA 0 -0.52000 -0.52000 CIKS O61 20 15 25 2 0 0 0 0 0 0 0 0 0 0 -7.457460 -1.234400 17.392300 1XA 0 -0.52000 -0.52000 CIKS O62 21 31 9 1 10 1 11 2