@<TRIPOS>MOLECULE
DB02916
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.6311     1.3067     1.3330	S	1	noname	-0.0681
2	O1     6.7293     1.5025     2.9078	O.2	1	noname	-0.1635
3	O2     8.0917     1.3232     0.7048	O.2	1	noname	-0.1635
4	O3     5.8891    -0.1735     0.9945	O.3	1	noname	-0.1309
5	N1     5.6937     2.5923     0.6487	N.3	1	noname	0.0229
6	C1     4.6020     0.0579     0.4409	C.3	1	noname	0.1003
7	C2     3.9302    -1.2821     0.1345	C.3	1	noname	0.1139
8	O4     3.8031    -2.0254     1.3222	O.3	1	noname	-0.3483
9	C3     2.5161    -1.0344    -0.3950	C.3	1	noname	0.1127
10	C4     2.7362    -2.9086     1.0213	C.3	1	noname	0.1590
11	O5     2.4643    -1.3591    -1.7764	O.3	1	noname	-0.3873
12	C5     1.6592    -2.0218     0.3922	C.3	1	noname	0.1258
13	N2     2.3854    -3.6851     2.1696	N.3	1	noname	0.0257
14	O6     0.8777    -2.7930    -0.5083	O.3	1	noname	-0.3857
15	C6     3.2461    -4.4791     2.8454	C.2	1	noname	0.1238
16	C7     1.1860    -3.7596     2.8223	C.2	1	noname	-0.0362
17	N3     4.5618    -4.7862     2.6323	N.2	1	noname	-0.2441
18	C8     2.5200    -4.9785     3.9366	C.2	1	noname	0.0254
19	N4     1.2634    -4.5492     3.9069	N.2	1	noname	-0.2172
20	C9     5.2111    -5.5965     3.5328	C.2	1	noname	0.0503
21	C10     3.1930    -5.8026     4.8591	C.2	1	noname	0.0729
22	N5     4.5090    -6.0688     4.6154	N.2	1	noname	-0.2575
23	N6     2.5669    -6.3048     5.9321	N.3	1	noname	-0.1031
24	H1     6.1272     3.4825     0.4492	H	1	noname	0.1423
25	H2     4.7137     2.4518     0.4492	H	1	noname	0.1423
26	H3     4.0309     0.5497     1.2284	H	1	noname	0.0614
27	H4     4.7800     0.5704    -0.5045	H	1	noname	0.0614
28	H5     4.5420    -1.8763    -0.5443	H	1	noname	0.0657
29	H6     2.1803     0.0017    -0.3520	H	1	noname	0.0657
30	H7     3.0301    -3.7180     0.3531	H	1	noname	0.0853
31	H8     2.4603    -2.3134    -1.8809	H	1	noname	0.2106
32	H9     0.9214    -1.5925     1.0699	H	1	noname	0.0674
33	H10     0.2930    -3.3699    -0.0114	H	1	noname	0.2107
34	H11     0.2739    -3.2487     2.5137	H	1	noname	0.1016
35	H12     6.2596    -5.8586     3.3915	H	1	noname	0.1062
36	H13     3.0863    -6.4940     6.7773	H	1	noname	0.1258
37	H14     1.5754    -6.4940     5.8956	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	12	14	1
15	13	15	1
16	13	16	1
17	15	17	2
18	15	18	1
19	16	19	2
20	17	20	1
21	18	21	2
22	18	19	1
23	20	22	2
24	21	23	1
25	21	22	1
26	5	24	1
27	5	25	1
28	6	26	1
29	6	27	1
30	7	28	1
31	9	29	1
32	10	30	1
33	11	31	1
34	12	32	1
35	14	33	1
36	16	34	1
37	20	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1