@<TRIPOS>MOLECULE
91825782
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4431     2.3454     0.6071	O.3	1	noname	-0.3794
2	O2    -0.0807    -2.1412    -1.1605	O.3	1	noname	-0.2133
3	O3    -0.3859    -0.3294    -2.4630	O.2	1	noname	-0.2488
4	N1     1.0254    -0.0104     0.6114	N.3	1	noname	-0.3173
5	C1    -0.4371     1.4916    -0.5275	C.3	1	noname	0.0791
6	C2    -0.2485     0.1098    -0.0957	C.3	1	noname	0.1174
7	C3    -1.7703     1.6173    -1.2675	C.3	1	noname	-0.0366
8	C4    -0.2420    -0.8102    -1.3182	C.2	1	noname	0.1450
9	C5    -0.6265     3.6895     0.1871	C.3	1	noname	0.0360
10	H1     0.3767     1.7784    -1.1937	H	1	noname	0.0622
11	H2    -1.0623    -0.1770     0.5704	H	1	noname	0.0599
12	H3    -1.7656     0.9620    -2.1385	H	1	noname	0.0257
13	H4    -2.5840     1.3306    -0.6014	H	1	noname	0.0257
14	H5    -1.9110     2.6490    -1.5899	H	1	noname	0.0257
15	H6     1.1574    -0.9777     0.9137	H	1	noname	0.1192
16	H7     1.0211     0.6041     1.4280	H	1	noname	0.1192
17	H8    -0.6312     4.3449     1.0581	H	1	noname	0.0529
18	H9    -1.5763     3.7790    -0.3401	H	1	noname	0.0529
19	H10     0.1872     3.9762    -0.4790	H	1	noname	0.0529
20	H11    -0.4897    -2.7633    -1.7979	H	1	noname	0.2213
@<TRIPOS>BOND
1	5	1	1
2	1	9	1
3	2	8	1
4	2	20	1
5	3	8	2
6	6	4	1
7	4	15	1
8	4	16	1
9	5	6	1
10	5	7	1
11	5	10	1
12	6	8	1
13	6	11	1
14	7	12	1
15	7	13	1
16	7	14	1
17	9	17	1
18	9	18	1
19	9	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1