@<TRIPOS>MOLECULE
90478345
15 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7939    -0.0371     0.0853	S.3	1	noname	-0.1607
2	S2     3.6500     2.5050    -0.0015	S.3	1	noname	-0.0587
3	N1     0.8768     2.2453     0.0422	N.2	1	noname	-0.2001
4	C1     0.0380     0.0235     0.0824	C.2	1	noname	0.0387
5	C2    -0.2156     1.4243     0.0715	C.2	1	noname	0.0310
6	C3    -0.9767    -0.9726     0.0915	C.2	1	noname	-0.0141
7	C4    -1.5633     1.8866     0.0837	C.2	1	noname	-0.0097
8	C5    -2.3207    -0.4858     0.1039	C.2	1	noname	-0.0470
9	C6    -2.6110     0.9155     0.1003	C.2	1	noname	-0.0445
10	C7     2.1200     1.6985     0.0388	C.2	1	noname	0.1020
11	H1    -0.7598    -1.9692     0.0894	H	1	noname	0.0638
12	H2    -1.7744     2.8845     0.0806	H	1	noname	0.0645
13	H3    -3.0916    -1.1536     0.1155	H	1	noname	0.0623
14	H4    -3.5825     1.2263     0.1098	H	1	noname	0.0623
15	H5     3.4526     3.8503    -0.0315	H	1	noname	0.1102
@<TRIPOS>BOND
1	1	4	1
2	1	10	1
3	2	10	1
4	2	15	1
5	3	5	1
6	3	10	2
7	4	5	1
8	4	6	2
9	5	7	2
10	6	8	1
11	6	11	1
12	7	9	1
13	7	12	1
14	8	9	2
15	8	13	1
16	9	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1