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@<TRIPOS>MOLECULE
adp
39 41 1 0 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1B 2.000001 1.000000 -0.000001 O3 1 adp -0.9552 ****
2 PB 2.000002 2.434000 0.000001 P 1 adp 1.3672 ****
3 O2B 1.724903 2.907052 -1.475810 O3 1 adp -0.9552 ****
4 O3B 3.300363 3.146821 0.324455 O3 1 adp -0.9552 ****
5 O3A 3.467779 3.068374 -0.000003 OS 1 adp -0.6346 ****
6 PA 4.849242 2.573067 -0.745353 P 1 adp 1.4929 ****
7 O1A 5.603590 1.650945 0.172616 O2 1 adp -0.9474 ****
8 O2A 4.495749 2.078354 -2.144988 O2 1 adp -0.9474 ****
9 O5* 5.586580 3.976117 -0.748172 OS 1 adp -0.6579 ****
10 C5* 5.106841 5.098759 -1.521185 CT 1 adp 0.0558 ****
11 H50 4.058873 5.016981 -1.649856 H1 1 adp 0.0679 ****
12 H51 5.579658 5.101927 -2.468770 H1 1 adp 0.0679 ****
13 C4* 5.376379 6.403922 -0.884454 CT 1 adp 0.1065 ****
14 H40 4.967680 7.131864 -1.536027 H1 1 adp 0.1174 ****
15 O4* 4.623643 6.405463 0.392147 OS 1 adp -0.3548 ****
16 C1* 5.507939 6.765371 1.403763 CT 1 adp 0.0394 ****
17 H10 5.483837 7.815750 1.536442 H2 1 adp 0.2007 ****
18 N9 5.089507 5.910142 2.629407 N* 1 adp -0.0251 ****
19 C8 4.575858 4.624186 2.534398 CK 1 adp 0.2006 ****
20 H80 4.331661 4.021157 1.674859 H5 1 adp 0.1553 ****
21 N7 4.381054 4.122269 3.809383 NB 1 adp -0.6073 ****
22 C5 4.787407 5.176469 4.627652 CB 1 adp 0.0515 ****
23 C6 4.776061 5.243868 6.037996 CA 1 adp 0.7009 ****
24 N6 4.297026 4.311429 6.861387 N2 1 adp -0.9019 ****
25 H60 3.935667 3.445296 6.488113 H 1 adp 0.4115 ****
26 H61 4.295233 4.470651 7.857743 H 1 adp 0.4115 ****
27 N1 5.260117 6.400634 6.518862 NC 1 adp -0.7615 ****
28 C2 5.739486 7.380635 5.740786 CQ 1 adp 0.5875 ****
29 H2 6.146204 8.272596 6.186783 H5 1 adp 0.0473 ****
30 N3 5.767139 7.364260 4.364161 NC 1 adp -0.6997 ****
31 C4 5.251880 6.241203 3.960117 CB 1 adp 0.3053 ****
32 C3* 6.792265 6.725736 -0.577931 CT 1 adp 0.2022 ****
33 H30 7.544648 6.249588 -1.151241 H1 1 adp 0.0615 ****
34 O3* 6.959409 8.120797 -0.652202 OH 1 adp -0.6541 ****
35 H3* 7.781479 8.370989 -0.208701 HO 1 adp 0.4376 ****
36 C2* 6.914541 6.308625 0.969168 CT 1 adp 0.0670 ****
37 H20 7.011269 5.269270 1.147682 H1 1 adp 0.0972 ****
38 O2* 7.893677 6.998460 1.690155 OH 1 adp -0.6139 ****
39 H2* 8.691108 7.083998 1.149900 HO 1 adp 0.4186 ****
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 1
4 2 5 1
5 5 6 1
6 6 7 1
7 6 8 1
8 6 9 1
9 9 10 1
10 10 11 1
11 10 12 1
12 10 13 1
13 13 14 1
14 13 15 1
15 13 32 1
16 15 16 1
17 16 17 1
18 16 18 1
19 16 36 1
20 18 19 1
21 18 31 1
22 19 20 1
23 19 21 1
24 21 22 1
25 22 23 1
26 22 31 1
27 23 24 1
28 23 27 1
29 24 25 1
30 24 26 1
31 27 28 1
32 28 29 1
33 28 30 1
34 30 31 1
35 32 33 1
36 32 34 1
37 32 36 1
38 34 35 1
39 36 37 1
40 36 38 1
41 38 39 1
@<TRIPOS>SUBSTRUCTURE
1 adp 1 **** 0 **** ****
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