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@<TRIPOS>MOLECULE
1g9v_allatom_refine_001.pdb_4
47 48 1 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C1 4.5699 -2.3267 0.3187 C.ar 1 UNK1 -0.1045
2 C2 2.8681 -3.8029 -0.5539 C.ar 1 UNK1 -0.1225
3 C3 4.0948 -1.2980 -0.4948 C.ar 1 UNK1 -0.1819
4 C4 2.3929 -2.7743 -1.3674 C.ar 1 UNK1 -0.1633
5 C5 7.2926 -10.1074 -1.1740 C.ar 1 UNK1 -0.1688
6 C6 5.3058 -9.2367 -0.1105 C.ar 1 UNK1 -0.1890
7 C7 7.1381 -7.7553 -0.6444 C.ar 1 UNK1 -0.1669
8 C8 3.9566 -3.5791 0.2891 C.ar 1 UNK1 -0.1689
9 C9 6.0196 -10.3110 -0.6415 C.ar 1 UNK1 -0.0498
10 C10 7.8519 -8.8296 -1.1755 C.ar 1 UNK1 -0.0561
11 C11 5.8651 -7.9588 -0.1119 C.ar 1 UNK1 0.0889
12 C12 3.0063 -1.5218 -1.3378 C.ar 1 UNK1 0.1780
13 C13 5.5437 -5.5380 0.5059 C.2 1 UNK1 0.6694
14 C14 2.8330 -1.7386 -4.1697 C.2 1 UNK1 0.9096
15 C15 5.4218 -11.6773 -0.6399 C.3 1 UNK1 -0.0529
16 C16 9.2130 -8.6121 -1.7450 C.3 1 UNK1 -0.0509
17 C17 4.5977 -0.0767 -3.2804 C.3 1 UNK1 -0.1062
18 C18 2.3929 0.7077 -4.1818 C.3 1 UNK1 -0.0746
19 C19 4.4641 -4.6788 1.1592 C.3 1 UNK1 -0.0907
20 C20 3.1182 -0.4087 -3.4364 C.3 1 UNK1 0.0286
21 N1 5.1408 -6.8687 0.4268 N.am 1 UNK1 -0.4654
22 O1 1.6145 -2.0384 -4.3165 O.co2 1 UNK1 -0.8195
23 O2 6.6067 -5.0597 0.1234 O.2 1 UNK1 -0.6154
24 O3 3.8578 -2.3791 -4.5451 O.co2 1 UNK1 -0.8300
25 O4 2.5399 -0.5130 -2.1342 O.3 1 UNK1 -0.3385
26 H1 5.4185 -2.1435 0.9723 H 1 UNK1 0.1204
27 H2 2.3840 -4.7757 -0.5836 H 1 UNK1 0.1154
28 H3 4.5767 -0.3243 -0.4671 H 1 UNK1 0.1351
29 H4 1.5445 -2.9548 -2.0215 H 1 UNK1 0.2090
30 H5 7.8493 -10.9449 -1.5882 H 1 UNK1 0.1239
31 H6 4.3132 -9.3976 0.3045 H 1 UNK1 0.1370
32 H7 7.5761 -6.7595 -0.6469 H 1 UNK1 0.1722
33 H8 5.6838 -12.2077 0.2838 H 1 UNK1 0.0420
34 H9 4.3277 -11.6337 -0.7176 H 1 UNK1 0.0494
35 H10 5.7775 -12.2688 -1.4937 H 1 UNK1 0.0351
36 H11 9.1464 -8.3757 -2.8141 H 1 UNK1 0.0430
37 H12 9.7301 -7.7872 -1.2379 H 1 UNK1 0.0438
38 H13 9.8425 -9.5034 -1.6243 H 1 UNK1 0.0332
39 H14 4.7314 0.8754 -2.7541 H 1 UNK1 0.0114
40 H15 5.1045 -0.0120 -4.2489 H 1 UNK1 0.0612
41 H16 5.1087 -0.8371 -2.6784 H 1 UNK1 0.0314
42 H17 2.5571 1.6824 -3.7077 H 1 UNK1 0.0050
43 H18 1.3136 0.5273 -4.2258 H 1 UNK1 0.0400
44 H19 2.7713 0.8010 -5.2063 H 1 UNK1 0.0607
45 H20 4.8766 -4.2675 2.0954 H 1 UNK1 0.0795
46 H21 3.6356 -5.3411 1.4601 H 1 UNK1 0.0624
47 H22 4.2181 -7.0822 0.7998 H 1 UNK1 0.3301
@<TRIPOS>BOND
1 1 26 1
2 1 8 ar
3 8 19 1
4 19 46 1
5 19 45 1
6 13 19 1
7 13 23 2
8 13 21 am
9 21 47 1
10 11 21 1
11 7 11 ar
12 7 32 1
13 7 10 ar
14 10 16 1
15 16 38 1
16 16 37 1
17 16 36 1
18 5 10 ar
19 5 30 1
20 5 9 ar
21 9 15 1
22 15 33 1
23 15 35 1
24 15 34 1
25 6 9 ar
26 6 31 1
27 6 11 ar
28 2 8 ar
29 2 27 1
30 2 4 ar
31 4 29 1
32 4 12 ar
33 12 25 1
34 20 25 1
35 17 20 1
36 17 41 1
37 17 40 1
38 17 39 1
39 14 20 1
40 14 24 2
41 14 22 2
42 18 20 1
43 18 44 1
44 18 43 1
45 18 42 1
46 3 12 ar
47 3 28 1
48 1 3 ar
@<TRIPOS>SUBSTRUCTURE
1 UNK1 1 RESIDUE 4 A UNK 0 ROOT
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