@<TRIPOS>MOLECULE
DB07052
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.7969    -1.1162     0.3897	S.3	1	noname	-0.1594
2	C1     5.3309    -1.8651     1.1177	C.3	1	noname	0.0224
3	C2     8.2386    -1.5282     1.3856	C.3	1	noname	-0.0095
4	C3     4.1054    -1.5149     0.2712	C.3	1	noname	0.0977
5	C4     9.4847    -0.8917     0.7668	C.3	1	noname	-0.0562
6	O1     3.9467    -0.1125     0.2305	O.3	1	noname	-0.3499
7	C5     2.8438    -2.0613     0.9482	C.3	1	noname	0.1112
8	C6     2.5638     0.0263    -0.0528	C.3	1	noname	0.1589
9	O2     2.3226    -3.1363     0.1806	O.3	1	noname	-0.3874
10	C7     1.8555    -0.8975     0.9308	C.3	1	noname	0.1257
11	N1     2.1679     1.3869     0.0264	N.3	1	noname	0.0257
12	O3     0.6243    -1.3303     0.3712	O.3	1	noname	-0.3857
13	C8     2.3013     2.2048     1.0850	C.2	1	noname	0.1238
14	C9     1.6617     2.0962    -1.0048	C.2	1	noname	-0.0362
15	N2     2.7568     1.9546     2.3481	N.2	1	noname	-0.2441
16	C10     1.8778     3.4610     0.6509	C.2	1	noname	0.0254
17	N3     1.4755     3.3824    -0.6211	N.2	1	noname	-0.2172
18	C11     2.8245     2.9877     3.2426	C.2	1	noname	0.0503
19	C12     1.9557     4.5264     1.5759	C.2	1	noname	0.0729
20	N4     2.4333     4.2367     2.8315	N.2	1	noname	-0.2575
21	N5     1.5794     5.7685     1.2424	N.3	1	noname	-0.1031
22	H1     5.4009    -2.9501     1.0408	H	1	noname	0.0408
23	H2     5.1253    -1.3992     2.0814	H	1	noname	0.0408
24	H3     8.1559    -1.0481     2.3606	H	1	noname	0.0377
25	H4     8.4314    -2.5990     1.3200	H	1	noname	0.0377
26	H5     4.2400    -1.8640    -0.7526	H	1	noname	0.0641
27	H6    10.1507    -0.5514     1.5597	H	1	noname	0.0239
28	H7    10.0004    -1.6276     0.1499	H	1	noname	0.0239
29	H8     9.1907    -0.0425     0.1499	H	1	noname	0.0239
30	H9     3.0112    -2.4906     1.9360	H	1	noname	0.0657
31	H10     2.3477    -0.2044    -1.0960	H	1	noname	0.0853
32	H11     1.9917    -3.8188     0.7691	H	1	noname	0.2106
33	H12     1.5626    -0.4739     1.8915	H	1	noname	0.0674
34	H13     0.0104    -1.5462     1.0770	H	1	noname	0.2107
35	H14     1.4382     1.6935    -1.9927	H	1	noname	0.1016
36	H15     3.1817     2.8197     4.2586	H	1	noname	0.1062
37	H16     2.2746     6.4902     1.1167	H	1	noname	0.1258
38	H17     0.6004     5.9829     1.1167	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	4	2	1
4	3	5	1
5	4	6	1
6	4	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	10	1
12	10	12	1
13	11	13	1
14	11	14	1
15	13	15	2
16	13	16	1
17	14	17	2
18	15	18	1
19	16	19	2
20	16	17	1
21	18	20	2
22	19	21	1
23	19	20	1
24	2	22	1
25	2	23	1
26	3	24	1
27	3	25	1
28	4	26	1
29	5	27	1
30	5	28	1
31	5	29	1
32	7	30	1
33	8	31	1
34	9	32	1
35	10	33	1
36	12	34	1
37	14	35	1
38	18	36	1
39	21	37	1
40	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1