@<TRIPOS>MOLECULE
72941561
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.0569     0.2443    -0.6212	N.3	1	noname	-0.3122
2	C1    -0.2763     0.9391     0.6212	C.3	1	noname	0.0014
3	C2     1.4627    -0.1564    -0.5936	C.3	1	noname	0.0014
4	C3    -1.7474     1.3584     0.5923	C.3	1	noname	-0.0500
5	C4     0.6055     2.1813     0.7631	C.3	1	noname	-0.0500
6	C5     1.8113    -0.8835    -1.8939	C.3	1	noname	-0.0500
7	C6     1.7033    -1.0910     0.5936	C.3	1	noname	-0.0500
8	H1     2.0908     0.7286    -0.4925	H	1	noname	0.0459
9	H2    -0.1048     0.2733     1.4671	H	1	noname	0.0459
10	H3    -0.1038     0.8686    -1.4143	H	1	noname	0.1227
11	H4    -1.9958     1.8764     1.5187	H	1	noname	0.0246
12	H5     2.7514    -1.3898     0.6142	H	1	noname	0.0246
13	H6     1.0751    -1.9760     0.4925	H	1	noname	0.0246
14	H7     1.4549    -0.5730     1.5200	H	1	noname	0.0246
15	H8     2.8594    -1.1823    -1.8733	H	1	noname	0.0246
16	H9     1.1832    -1.7686    -1.9950	H	1	noname	0.0246
17	H10     1.6399    -0.2177    -2.7397	H	1	noname	0.0246
18	H11     0.3571     2.6993     1.6895	H	1	noname	0.0246
19	H12     0.4341     2.8471    -0.0827	H	1	noname	0.0246
20	H13     1.6536     1.8826     0.7837	H	1	noname	0.0246
21	H14    -2.3756     0.4734     0.4912	H	1	noname	0.0246
22	H15    -1.9188     2.0242    -0.2535	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	10	1
4	2	4	1
5	2	5	1
6	2	9	1
7	3	6	1
8	3	7	1
9	3	8	1
10	4	11	1
11	4	21	1
12	4	22	1
13	5	18	1
14	5	19	1
15	5	20	1
16	6	15	1
17	6	16	1
18	6	17	1
19	7	12	1
20	7	13	1
21	7	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1