@<TRIPOS>MOLECULE
91826965
21 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6230     3.4923     0.6885	S.3	1	noname	-0.0773
2	S2     0.5882     0.6020    -4.0202	S.3	1	noname	-0.2173
3	N1    -1.0251     1.1459     0.6694	N.3	1	noname	-0.0099
4	N2    -0.2961     1.9043    -1.2274	N.2	1	noname	-0.2344
5	C1     0.0941     0.5651    -1.2108	C.3	1	noname	0.1001
6	C2    -0.6252    -0.0416     0.0271	C.3	1	noname	0.0371
7	C3    -0.9123     2.1473    -0.1343	C.2	1	noname	-0.0154
8	C4     0.0268    -0.1097    -2.5129	C.2	1	noname	0.0255
9	C5    -1.4481     1.3769     1.9251	C.2	1	noname	-0.0758
10	C6    -0.0761    -1.4802    -2.8088	C.2	1	noname	-0.0168
11	C7    -1.8343     2.6348     2.2031	C.2	1	noname	-0.0055
12	C8     0.4540    -1.8780    -4.0630	C.2	1	noname	-0.0251
13	C9     0.9703    -0.8831    -4.9062	C.2	1	noname	0.0117
14	H1     1.1587     0.5291    -0.9775	H	1	noname	0.0625
15	H2    -1.5070    -0.5929    -0.2991	H	1	noname	0.0465
16	H3    -0.0296    -0.7086     0.6504	H	1	noname	0.0465
17	H4    -1.4737     0.6602     2.6075	H	1	noname	0.0761
18	H5    -0.5038    -2.1448    -2.1640	H	1	noname	0.0635
19	H6    -2.1627     2.9941     3.0651	H	1	noname	0.0711
20	H7     0.4595    -2.8587    -4.3434	H	1	noname	0.0631
21	H8     1.4454    -0.9883    -5.8026	H	1	noname	0.0739
@<TRIPOS>BOND
1	1	7	1
2	1	11	1
3	2	8	1
4	2	13	1
5	3	6	1
6	3	7	1
7	3	9	1
8	4	5	1
9	4	7	2
10	5	6	1
11	5	8	1
12	5	14	1
13	6	15	1
14	6	16	1
15	8	10	2
16	9	11	2
17	9	17	1
18	10	12	1
19	10	18	1
20	11	19	1
21	12	13	2
22	12	20	1
23	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1