@<TRIPOS>MOLECULE
86583099
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.7671    -0.5292    -0.7290	N.3	1	noname	-0.3132
2	C1    -0.5906    -1.1881    -0.1641	C.3	1	noname	0.0290
3	C2     0.3655    -0.1787     0.2814	C.2	1	noname	-0.0475
4	C3    -1.0122    -2.0518     1.0263	C.3	1	noname	-0.0456
5	C4     0.8938     0.7284    -0.6298	C.2	1	noname	-0.0524
6	C5     0.7476    -0.1247     1.6168	C.2	1	noname	-0.0524
7	C6    -2.7245    -1.5400    -1.1752	C.3	1	noname	-0.0158
8	C7     1.8041     1.6894    -0.2057	C.2	1	noname	-0.0592
9	C8     1.6579     0.8364     2.0409	C.2	1	noname	-0.0592
10	C9     2.1861     1.7434     1.1297	C.2	1	noname	-0.0613
11	H1    -0.1269    -1.8176    -0.9236	H	1	noname	0.0512
12	H2    -0.1350    -2.5430     1.4475	H	1	noname	0.0250
13	H3    -1.7260    -2.8054     0.6937	H	1	noname	0.0250
14	H4    -1.4758    -1.4223     1.7858	H	1	noname	0.0250
15	H5    -2.2018     0.0610    -0.0169	H	1	noname	0.1224
16	H6     0.6134     0.6888    -1.6098	H	1	noname	0.0626
17	H7     0.3600    -0.7903     2.2854	H	1	noname	0.0626
18	H8    -3.6017    -1.0488    -1.5963	H	1	noname	0.0391
19	H9    -3.0249    -2.1554    -0.3271	H	1	noname	0.0391
20	H10    -2.2609    -2.1695    -1.9347	H	1	noname	0.0391
21	H11     2.1917     2.3550    -0.8744	H	1	noname	0.0622
22	H12     1.9383     0.8760     3.0208	H	1	noname	0.0622
23	H13     2.8541     2.4486     1.4409	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	7	1
3	1	15	1
4	2	3	1
5	2	4	1
6	2	11	1
7	3	5	2
8	3	6	1
9	4	12	1
10	4	13	1
11	4	14	1
12	5	8	1
13	5	16	1
14	6	9	2
15	6	17	1
16	7	18	1
17	7	19	1
18	7	20	1
19	8	10	2
20	8	21	1
21	9	10	1
22	9	22	1
23	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1