@<TRIPOS>MOLECULE
91617671
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.9656    -0.8195    -0.2090	N.3	1	noname	-0.3241
2	C1    -0.5358    -1.1080    -0.3076	C.3	1	noname	0.0267
3	C2     0.1673    -0.4684     0.8006	C.2	1	noname	-0.0476
4	C3    -0.3154    -2.6208    -0.2463	C.3	1	noname	-0.0458
5	C4     0.1131     0.9121     0.9539	C.2	1	noname	-0.0524
6	C5     0.8910    -1.2399     1.7023	C.2	1	noname	-0.0524
7	C6     0.7826     1.5210     2.0089	C.2	1	noname	-0.0593
8	C7     1.5604    -0.6310     2.7574	C.2	1	noname	-0.0593
9	C8     1.5062     0.7495     2.9107	C.2	1	noname	-0.0613
10	H1    -0.1518    -0.7229    -1.2523	H	1	noname	0.0510
11	H2     0.7507    -2.8359    -0.3199	H	1	noname	0.0249
12	H3    -0.8403    -3.0983    -1.0737	H	1	noname	0.0249
13	H4    -0.6994    -3.0059     0.6983	H	1	noname	0.0249
14	H5    -0.4179     1.4782     0.2921	H	1	noname	0.0626
15	H6     0.9308    -2.2529     1.5898	H	1	noname	0.0626
16	H7    -2.4578    -1.2672    -0.9847	H	1	noname	0.1190
17	H8    -2.3257    -1.1806     0.6767	H	1	noname	0.1190
18	H9     0.7428     2.5340     2.1214	H	1	noname	0.0622
19	H10     2.0915    -1.1972     3.4191	H	1	noname	0.0622
20	H11     1.9975     1.1963     3.6849	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	16	1
3	1	17	1
4	2	3	1
5	2	4	1
6	2	10	1
7	3	5	2
8	3	6	1
9	4	11	1
10	4	12	1
11	4	13	1
12	5	7	1
13	5	14	1
14	6	8	2
15	6	15	1
16	7	9	2
17	7	18	1
18	8	9	1
19	8	19	1
20	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1