@<TRIPOS>MOLECULE
121225717
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7499     1.0073     2.5980	O.2	1	noname	-0.1707
2	N1     0.6275     0.6551     0.8080	N.3	1	noname	0.0158
3	N2     1.6772     1.1101     1.4399	N.2	1	noname	-0.1044
4	C1     1.0398    -0.3596    -0.1491	C.3	1	noname	0.0321
5	C2     0.0921     1.7025    -0.0682	C.3	1	noname	0.0321
6	C3     1.8068     0.4286    -1.2064	C.3	1	noname	-0.0342
7	C4     1.0209     1.7425    -1.2792	C.3	1	noname	-0.0342
8	C5     1.9848    -1.3506     0.5335	C.3	1	noname	-0.0475
9	C6    -1.3183     1.3181    -0.5197	C.3	1	noname	-0.0475
10	H1     0.1578    -0.8126    -0.6017	H	1	noname	0.0485
11	H2     0.0180     2.6678     0.4327	H	1	noname	0.0485
12	H3     1.7404    -0.0880    -2.1639	H	1	noname	0.0284
13	H4     2.8213     0.6233    -0.8588	H	1	noname	0.0284
14	H5     0.4263     1.7601    -2.1926	H	1	noname	0.0284
15	H6     1.7211     2.5773    -1.2497	H	1	noname	0.0284
16	H7     2.2938    -2.1110    -0.1837	H	1	noname	0.0247
17	H8     1.4708    -1.8264     1.3687	H	1	noname	0.0247
18	H9     2.8630    -0.8203     0.9019	H	1	noname	0.0247
19	H10    -1.7162     2.0964    -1.1708	H	1	noname	0.0247
20	H11    -1.9624     1.2101     0.3530	H	1	noname	0.0247
21	H12    -1.2812     0.3738    -1.0629	H	1	noname	0.0247
@<TRIPOS>BOND
1	1	3	2
2	2	3	1
3	2	4	1
4	2	5	1
5	4	6	1
6	4	8	1
7	4	10	1
8	5	7	1
9	5	9	1
10	5	11	1
11	6	7	1
12	6	12	1
13	6	13	1
14	7	14	1
15	7	15	1
16	8	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	9	20	1
21	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1