# Name: 1fbc # Creating user name: metzjt # Creation time: Mon Jul 7 10:31:43 2003 # Modifying user name: metzjt # Modification time: Mon Jul 7 10:34:01 2003 @MOLECULE 1fbc 29 29 1 0 3 PROTEIN GAST_HUCK @DICT PROTEIN PROTEIN @ATOM 1 H1 38.4053 88.6279 26.6143 H 1 AHG336 0.0638 2 H2 37.5847 88.2728 25.0564 H 1 AHG336 0.0638 3 H3 38.1878 91.1330 25.8386 H 1 AHG336 0.0650 4 H4 36.4534 91.7476 24.3684 H 1 AHG336 0.0647 5 H5 36.5990 90.3693 22.5505 H 1 AHG336 0.2100 6 H6 35.2284 88.9655 24.6252 H 1 AHG336 0.0647 7 H7 33.2986 90.1902 24.5302 H 1 AHG336 0.2100 8 H8 34.7495 91.2716 26.5828 H 1 AHG336 0.0650 9 H9 34.9381 88.2822 27.0904 H 1 AHG336 0.0638 10 H10 33.4156 89.1060 26.6107 H 1 AHG336 0.0638 11 P1 40.8470 89.1260 25.6530 P.3 1 AHG336 0.2052 12 O11 41.0910 90.3360 26.4740 O.co2 1 AHG336 -0.5354 13 O12 41.8310 88.7700 24.5890 O.co2 1 AHG336 -0.5354 14 O13 40.6770 87.9120 26.6620 O.co2 1 AHG336 -0.5354 15 O1 39.4270 89.2140 24.9070 O.3 1 AHG336 -0.3198 16 C1 38.1980 89.0050 25.6020 C.3 1 AHG336 0.0944 17 C2 37.4560 90.3250 25.6920 C.3 1 AHG336 0.1148 18 C3 36.5680 90.6590 24.4770 C.3 1 AHG336 0.1121 19 O3 37.1540 90.1580 23.2920 O.3 1 AHG336 -0.3865 20 C4 35.2270 90.0410 24.8560 C.3 1 AHG336 0.1121 21 O4 34.0850 90.6360 24.2380 O.3 1 AHG336 -0.3865 22 C5 35.1870 90.2840 26.3750 C.3 1 AHG336 0.1148 23 O5 36.5580 90.2450 26.8070 O.3 1 AHG336 -0.3627 24 C6 34.3920 89.2370 27.1000 C.3 1 AHG336 0.0944 25 O6 34.2030 89.6710 28.4450 O.3 1 AHG336 -0.3198 26 P2 32.8340 89.3070 29.2560 P.3 1 AHG336 0.2052 27 O21 32.6770 87.7970 29.2160 O.co2 1 AHG336 -0.5354 28 O22 31.6810 90.0260 28.5740 O.co2 1 AHG336 -0.5354 29 O23 33.1140 89.8730 30.6410 O.co2 1 AHG336 -0.5354 @BOND 1 16 1 1 2 16 2 1 3 17 3 1 4 18 4 1 5 19 5 1 6 20 6 1 7 21 7 1 8 22 8 1 9 24 9 1 10 24 10 1 11 11 12 2 12 11 13 1 13 11 14 1 14 15 11 1 15 16 15 1 16 17 16 1 17 17 18 1 18 23 17 1 19 18 19 1 20 20 18 1 21 20 21 1 22 22 20 1 23 22 23 1 24 22 24 1 25 24 25 1 26 25 26 1 27 26 27 2 28 26 28 1 29 26 29 1 @SUBSTRUCTURE 1 AHG336 11 GROUP 0 A **** 0 ROOT @SET UNK_ATOMS STATIC ATOMS AMSOM **** Atom types guessed for these atoms 234 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SITE_MGA STATIC SUBSTS AMSOM **** 5 0 0 0 0 11 LAB$A_TYPE STATIC ATOMS LABELGROUP SYSTEM 29 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 \ 20 21 22 23 24 25 26 27 28 29