@<TRIPOS>MOLECULE
DB01086
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5962    -1.3320     0.0282	O.2	1	noname	-0.2591
2	C1    -0.3583    -1.1925    -0.0743	C.2	1	noname	0.0806
3	O2     0.4343    -2.2770    -0.2098	O.3	1	noname	-0.2082
4	C2     0.2023     0.0792    -0.0488	C.2	1	noname	-0.0381
5	C3     0.0489    -3.5148     0.3695	C.3	1	noname	0.0539
6	C4     1.5789     0.2343    -0.1629	C.2	1	noname	-0.0078
7	C5    -0.6137     1.1958     0.0907	C.2	1	noname	-0.0078
8	C6     1.1143    -4.5714     0.0706	C.3	1	noname	-0.0409
9	C7     2.1395     1.5060    -0.1374	C.2	1	noname	-0.0518
10	C8    -0.0531     2.4674     0.1161	C.2	1	noname	-0.0518
11	C9     1.3235     2.6225     0.0021	C.2	1	noname	-0.0099
12	N1     1.8639     3.8485     0.0266	N.3	1	noname	-0.1518
13	H1     0.0378    -3.3414     1.4455	H	1	noname	0.0570
14	H2    -0.8673    -3.8041    -0.1454	H	1	noname	0.0570
15	H3     2.2188    -0.6413    -0.2723	H	1	noname	0.0631
16	H4    -1.6932     1.0741     0.1801	H	1	noname	0.0631
17	H5     1.5099    -4.9637     1.0075	H	1	noname	0.0254
18	H6     0.6694    -5.3836    -0.5043	H	1	noname	0.0254
19	H7     1.9228    -4.1197    -0.5043	H	1	noname	0.0254
20	H8     3.2190     1.6276    -0.2269	H	1	noname	0.0639
21	H9    -0.6930     3.3430     0.2255	H	1	noname	0.0639
22	H10     2.8680     3.9577     0.0359	H	1	noname	0.1242
23	H11     1.2672     4.6633     0.0359	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	5	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	12	22	1
23	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1