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 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90
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# Name: <unnamed>
# 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
@<TRIPOS>MOLECULE
****
32 34 1 0 1
PROTEIN
GASTEIGER
@<TRIPOS>DICT
PROTEIN PROTEIN
@<TRIPOS>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
@<TRIPOS>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
@<TRIPOS>SUBSTRUCTURE
1 BZC201 20 RESIDUE 1 A **** 0 ROOT
@<TRIPOS>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
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