@<TRIPOS>MOLECULE
91618073
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3365    -1.9249    -0.4940	O.3	1	noname	-0.3875
2	O2    -1.4020     0.2880     0.9013	O.3	1	noname	-0.3881
3	O3     2.1659    -2.0999     0.5515	O.3	1	noname	-0.3905
4	O4     1.6627     3.1292    -1.4464	O.2	1	noname	-0.2988
5	N1    -1.1148     2.8947    -0.3534	N.3	1	noname	-0.3195
6	C1     0.4160    -0.7207    -0.3873	C.3	1	noname	0.1075
7	C2    -0.6308     0.4456    -0.2803	C.3	1	noname	0.1043
8	C3     1.4512    -0.9004     0.7743	C.3	1	noname	0.0798
9	C4    -0.0443     1.8895    -0.3033	C.3	1	noname	0.0895
10	C5     2.5249     0.1926     0.9228	C.3	1	noname	-0.0363
11	C6     0.8778     2.1473    -1.4273	C.2	1	noname	0.1365
12	H1     0.9337    -0.6358    -1.3338	H	1	noname	0.0655
13	H2    -1.3546     0.3563    -1.0943	H	1	noname	0.0649
14	H3     0.9257    -1.0231     1.7170	H	1	noname	0.0625
15	H4     0.5150     2.0599     0.6083	H	1	noname	0.0570
16	H5     2.2313     1.0221     1.5788	H	1	noname	0.0257
17	H6     2.7852     0.5823    -0.0613	H	1	noname	0.0257
18	H7     3.4024    -0.2621     1.3825	H	1	noname	0.0257
19	H8    -0.9030    -1.8864    -1.2927	H	1	noname	0.2106
20	H9    -1.8736    -0.5705     0.8716	H	1	noname	0.2106
21	H10    -1.7121     2.7976     0.4702	H	1	noname	0.1191
22	H11    -1.6736     2.7554    -1.1977	H	1	noname	0.1191
23	H12     0.8664     1.5135    -2.2229	H	1	noname	0.1059
24	H13     2.6322    -2.0474    -0.3088	H	1	noname	0.2105
@<TRIPOS>BOND
1	6	1	1
2	1	19	1
3	7	2	1
4	2	20	1
5	8	3	1
6	3	24	1
7	4	11	2
8	9	5	1
9	5	21	1
10	5	22	1
11	6	7	1
12	6	8	1
13	6	12	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	11	1
19	9	15	1
20	10	16	1
21	10	17	1
22	10	18	1
23	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1