@<TRIPOS>MOLECULE
DB01468
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.0851     1.0216    -2.6088	S.3	1	noname	-0.2191
2	C1     2.0772     0.1088    -1.1030	C.2	1	noname	0.0273
3	C2     3.5946     0.4493    -3.2992	C.2	1	noname	0.0090
4	C3     0.9794     0.0343    -0.1143	C.2	1	noname	0.0077
5	C4     3.2847    -0.6132    -1.1424	C.2	1	noname	-0.0176
6	C5     4.0663    -0.4238    -2.3022	C.2	1	noname	-0.0251
7	C6     0.5531     1.2868     0.5365	C.2	1	noname	0.0273
8	C7     0.3960    -1.1246     0.1780	C.2	1	noname	-0.0304
9	S2    -0.7958     1.4073     1.6551	S.3	1	noname	-0.2191
10	C8     1.0016     2.6202     0.4623	C.2	1	noname	-0.0176
11	C9     0.8280    -2.3254    -0.4672	C.3	1	noname	0.0257
12	C10    -0.6552     3.0883     2.1619	C.2	1	noname	0.0090
13	C11     0.3644     3.5578     1.3201	C.2	1	noname	-0.0251
14	N1    -0.2904    -2.9127    -1.2032	N.3	1	noname	-0.3004
15	C12     1.9644    -2.0017    -1.4393	C.3	1	noname	-0.0459
16	C13    -1.3762    -3.2221    -0.2744	C.3	1	noname	-0.0044
17	C14     0.1513    -4.1404    -1.8629	C.3	1	noname	-0.0128
18	C15    -2.5467    -3.8366    -1.0447	C.3	1	noname	-0.0524
19	H1     4.1592     0.6130    -4.2171	H	1	noname	0.0739
20	H2     3.5930    -1.2729    -0.3314	H	1	noname	0.0637
21	H3     5.0170    -0.9425    -2.4256	H	1	noname	0.0631
22	H4    -0.4044    -1.0916     0.9171	H	1	noname	0.0599
23	H5     1.7987     2.9108    -0.2220	H	1	noname	0.0637
24	H6     1.1338    -3.0175     0.3174	H	1	noname	0.0509
25	H7    -1.1308     3.7438     2.8914	H	1	noname	0.0739
26	H8     0.6504     4.6095     1.3321	H	1	noname	0.0631
27	H9     2.8621    -1.7459    -0.8765	H	1	noname	0.0249
28	H10     2.1642    -2.8701    -2.0669	H	1	noname	0.0249
29	H11     1.6764    -1.1583    -2.0669	H	1	noname	0.0249
30	H12    -0.9874    -3.9868     0.3979	H	1	noname	0.0427
31	H13    -1.7117    -2.2649     0.1248	H	1	noname	0.0427
32	H14     0.4180    -4.8818    -1.1098	H	1	noname	0.0394
33	H15    -0.6549    -4.5286    -2.4854	H	1	noname	0.0394
34	H16     1.0200    -3.9260    -2.4854	H	1	noname	0.0394
35	H17    -3.2827    -4.2231    -0.3396	H	1	noname	0.0243
36	H18    -3.0093    -3.0744    -1.6715	H	1	noname	0.0243
37	H19    -2.1818    -4.6503    -1.6715	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	4	7	1
7	4	8	2
8	5	6	1
9	7	9	1
10	7	10	2
11	8	11	1
12	9	12	1
13	10	13	1
14	11	14	1
15	11	15	1
16	12	13	2
17	14	16	1
18	14	17	1
19	16	18	1
20	3	19	1
21	5	20	1
22	6	21	1
23	8	22	1
24	10	23	1
25	11	24	1
26	12	25	1
27	13	26	1
28	15	27	1
29	15	28	1
30	15	29	1
31	16	30	1
32	16	31	1
33	17	32	1
34	17	33	1
35	17	34	1
36	18	35	1
37	18	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1