# Name: # Creating user name: austin # Creation time: Wed Mar 26 18:52:21 2003 # Modifying user name: austin # Modification time: Wed Mar 26 18:55:02 2003 @MOLECULE **** 32 34 1 0 1 PROTEIN GASTEIGER @DICT PROTEIN PROTEIN @ATOM 1 C1 40.6790 22.6620 21.8370 C.ar 1 BZC201 0.1034 2 N2 39.9280 22.8690 20.7290 N.ar 1 BZC201 -0.2250 3 C3 38.6530 22.4260 20.9470 C.ar 1 BZC201 0.1611 4 N4 38.6030 21.9240 22.2360 N.ar 1 BZC201 -0.2257 5 C5 39.8310 22.0570 22.8020 C.ar 1 BZC201 0.0923 6 C7 40.3600 21.7320 24.0480 C.ar 1 BZC201 -0.0341 7 C4 42.0330 22.9360 22.1260 C.ar 1 BZC201 0.0606 8 C19 37.5710 22.5070 19.8910 C.ar 1 BZC201 0.0216 9 C2 42.5490 22.5980 23.3900 C.ar 1 BZC201 -0.0477 10 C6 41.7080 22.0010 24.3360 C.ar 1 BZC201 -0.0589 11 C8 42.9224 23.6127 21.1105 C.2 1 BZC201 0.2310 12 N1 42.4494 23.9837 19.9241 N.3 1 BZC201 -0.2682 13 O1 44.0944 23.8335 21.3672 O.2 1 BZC201 -0.2741 14 C11 37.9370 22.5990 18.5340 C.ar 1 BZC201 -0.0210 15 C12 36.2060 22.5290 20.2400 C.ar 1 BZC201 -0.0509 16 C13 36.9460 22.7190 17.5480 C.ar 1 BZC201 0.0765 17 O2 37.2660 22.7800 16.1600 O.3 1 BZC201 -0.3479 18 C15 35.5880 22.7470 17.9180 C.ar 1 BZC201 -0.0317 19 C17 35.2060 22.6510 19.2600 C.ar 1 BZC201 -0.0587 20 C18 38.5440 22.3580 15.7040 C.3 1 BZC201 0.0430 21 H1 39.7292 21.2697 24.7986 H 1 BZC201 0.0639 22 H2 43.5873 22.7978 23.6290 H 1 BZC201 0.0626 23 H3 42.1050 21.7410 25.3106 H 1 BZC201 0.0618 24 H4 43.2447 24.4445 19.3570 H 1 BZC201 0.1269 25 H5 42.0879 23.1204 19.3853 H 1 BZC201 0.1269 26 H6 38.9834 22.5771 18.2517 H 1 BZC201 0.0650 27 H7 35.9221 22.4504 21.2832 H 1 BZC201 0.0625 28 H8 34.8275 22.8444 17.1517 H 1 BZC201 0.0643 29 H9 34.1587 22.6703 19.5389 H 1 BZC201 0.0619 30 H10 38.5936 22.4822 14.6122 H 1 BZC201 0.0529 31 H11 39.3297 22.9706 16.1702 H 1 BZC201 0.0529 32 H12 38.6991 21.2975 15.9513 H 1 BZC201 0.0529 @BOND 1 2 1 ar 2 5 1 ar 3 1 7 ar 4 3 2 ar 5 3 4 ar 6 8 3 ar 7 4 5 ar 8 5 6 ar 9 6 10 ar 10 7 9 ar 11 7 11 1 12 14 8 ar 13 8 15 ar 14 10 9 ar 15 11 12 1 16 11 13 2 17 16 14 ar 18 15 19 ar 19 17 16 1 20 16 18 ar 21 20 17 1 22 18 19 ar 23 6 21 1 24 9 22 1 25 10 23 1 26 12 24 1 27 12 25 1 28 14 26 1 29 15 27 1 30 18 28 1 31 19 29 1 32 20 30 1 33 20 31 1 34 20 32 1 @SUBSTRUCTURE 1 BZC201 20 RESIDUE 1 A **** 0 ROOT @SET UNK_ATOMS STATIC ATOMS AMSOM **** Atom types guessed for these atoms 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 \ 20