@<TRIPOS>MOLECULE
DB02846
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5301     0.1512     0.1951	S.3	1	noname	-0.1442
2	C1     1.2515    -0.2782     0.2930	C.3	1	noname	0.0426
3	C2    -0.4436     1.8615    -0.4744	C.3	1	noname	0.0196
4	N1     1.7091     0.5168    -0.8588	N.3	1	noname	-0.2956
5	C3     0.9989     1.8203    -1.0286	C.3	1	noname	0.1035
6	C4     1.7861     2.8868    -0.4165	C.2	1	noname	0.1442
7	O1     2.3063     3.7695    -1.1325	O.2	1	noname	-0.2493
8	O2     1.9521     2.9195     0.9229	O.3	1	noname	-0.2137
9	H1     1.7272     0.1567     1.1720	H	1	noname	0.0545
10	H2     1.4334    -1.3215     0.0349	H	1	noname	0.0545
11	H3    -1.1044     1.9836    -1.3326	H	1	noname	0.0402
12	H4    -0.4492     2.6001     0.3272	H	1	noname	0.0402
13	H5     2.4425     0.1975    -1.4755	H	1	noname	0.1238
14	H6     0.9547     1.9784    -2.1062	H	1	noname	0.0582
15	H7     1.9941     2.0225     1.2622	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	5	1
6	5	6	1
7	6	7	2
8	6	8	1
9	2	9	1
10	2	10	1
11	3	11	1
12	3	12	1
13	4	13	1
14	5	14	1
15	8	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1