@<TRIPOS>MOLECULE
109374218
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1348     1.6862    -1.2329	S.3	1	noname	-0.0740
2	O1     1.8757    -0.6528     1.7826	O.2	1	noname	-0.2883
3	N1     0.3134     0.5239     0.4611	N.3	1	noname	0.0544
4	N2    -1.4346     1.7300     1.4241	N.2	1	noname	-0.2386
5	C1    -1.1794     1.3558     2.7479	C.3	1	noname	0.0579
6	C2     0.0947     0.5076     3.0119	C.3	1	noname	0.0441
7	C3     0.8562     0.0765    -0.8009	C.3	1	noname	0.0223
8	C4    -0.7468     1.3400     0.4181	C.2	1	noname	-0.0055
9	C5     0.8531     0.0639     1.7268	C.2	1	noname	0.0786
10	C6     0.2760     0.8261    -2.0388	C.3	1	noname	0.0143
11	C7    -1.1550     2.6023     3.6347	C.3	1	noname	-0.0420
12	H1    -2.0466     0.7685     3.0497	H	1	noname	0.0554
13	H2    -0.1694    -0.3715     3.5997	H	1	noname	0.0383
14	H3     0.8138     1.0652     3.6120	H	1	noname	0.0383
15	H4     0.6845    -0.9942    -0.9112	H	1	noname	0.0449
16	H5     1.9444     0.1349    -0.7770	H	1	noname	0.0449
17	H6    -0.1039     0.1003    -2.7579	H	1	noname	0.0398
18	H7     0.9965     1.5468    -2.4254	H	1	noname	0.0398
19	H8    -0.9561     2.3108     4.6659	H	1	noname	0.0252
20	H9    -2.1198     3.1066     3.5793	H	1	noname	0.0252
21	H10    -0.3717     3.2778     3.2906	H	1	noname	0.0252
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	9	2
4	3	7	1
5	3	8	1
6	3	9	1
7	4	5	1
8	4	8	2
9	5	6	1
10	5	11	1
11	5	12	1
12	6	9	1
13	6	13	1
14	6	14	1
15	7	10	1
16	7	15	1
17	7	16	1
18	10	17	1
19	10	18	1
20	11	19	1
21	11	20	1
22	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1