@<TRIPOS>MOLECULE
90478784
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4640    -1.9591    -3.3455	O.3	1	noname	-0.3949
2	O2    -1.8928     2.9357     0.6554	O.3	1	noname	-0.3949
3	O3     3.2163    -0.8104     0.7686	O.3	1	noname	-0.3949
4	N1    -0.2483    -0.2102    -0.3372	N.3	1	noname	-0.2964
5	C1     1.0933     0.1340     0.1310	C.3	1	noname	0.0217
6	C2    -1.0318     1.0117    -0.5118	C.3	1	noname	0.0217
7	C3    -0.1528    -0.9147    -1.6147	C.3	1	noname	0.0217
8	C4     1.9133    -1.1447     0.3138	C.3	1	noname	0.0559
9	C5    -1.1318     1.7490     0.8251	C.3	1	noname	0.0559
10	C6    -1.5567    -1.2748    -2.1047	C.3	1	noname	0.0559
11	H1    -2.0320     0.7551    -0.8609	H	1	noname	0.0454
12	H2    -0.5446     1.6540    -1.2454	H	1	noname	0.0454
13	H3     0.3344    -0.2724    -2.3483	H	1	noname	0.0454
14	H4     0.4314    -1.8256    -1.4844	H	1	noname	0.0454
15	H5     1.0221     0.6592     1.0835	H	1	noname	0.0454
16	H6     1.5805     0.7763    -0.6026	H	1	noname	0.0454
17	H7     1.4261    -1.7870     1.0474	H	1	noname	0.0576
18	H8     1.9845    -1.6699    -0.6386	H	1	noname	0.0576
19	H9    -1.6190     1.1066     1.5587	H	1	noname	0.0576
20	H10    -0.1316     2.0055     1.1742	H	1	noname	0.0576
21	H11    -2.1409    -0.3639    -2.2349	H	1	noname	0.0576
22	H12    -2.0439    -1.9171    -1.3711	H	1	noname	0.0576
23	H13    -2.3632    -2.1898    -3.6593	H	1	noname	0.2100
24	H14    -1.9569     3.4079     1.5117	H	1	noname	0.2100
25	H15     3.7416    -1.6295     0.8857	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	10	1
2	1	23	1
3	2	9	1
4	2	24	1
5	3	8	1
6	3	25	1
7	4	5	1
8	4	6	1
9	4	7	1
10	5	8	1
11	5	15	1
12	5	16	1
13	6	9	1
14	6	11	1
15	6	12	1
16	7	10	1
17	7	13	1
18	7	14	1
19	8	17	1
20	8	18	1
21	9	19	1
22	9	20	1
23	10	21	1
24	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1