@<TRIPOS>MOLECULE
DB07094
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.5654     0.4201    -0.4472	S.3	1	noname	-0.2020
2	C1     0.7216    -0.5394     0.7608	C.2	1	noname	0.0351
3	C2     2.5824     1.3854     0.6268	C.2	1	noname	0.0260
4	C3    -0.0967    -1.6730     0.6484	C.2	1	noname	0.0322
5	C4     1.2704    -0.1011     1.9700	C.2	1	noname	-0.0087
6	C5     2.2490     0.9135     1.9041	C.2	1	noname	-0.0141
7	C6     3.5416     2.4265     0.2696	C.3	1	noname	0.0274
8	S2    -0.9743    -2.4339     1.9725	S.3	1	noname	-0.2115
9	C7    -0.1414    -2.6148    -0.3895	C.2	1	noname	-0.0116
10	N1     2.8509     3.5034    -0.4380	N.3	1	noname	-0.3258
11	C8    -1.0933    -4.0688     1.3205	C.2	1	noname	0.0138
12	C9    -0.6319    -3.8900     0.0008	C.2	1	noname	-0.0231
13	H1     0.9505    -0.5303     2.9195	H	1	noname	0.0638
14	H2     2.7255     1.3143     2.7987	H	1	noname	0.0634
15	H3     3.9095     2.8491     1.2045	H	1	noname	0.0485
16	H4     4.2397     1.9809    -0.4391	H	1	noname	0.0485
17	H5     0.1756    -2.3778    -1.4051	H	1	noname	0.0638
18	H6     3.3486     4.3476    -0.6825	H	1	noname	0.1187
19	H7     1.8761     3.4032    -0.6825	H	1	noname	0.1187
20	H8    -1.4069    -5.0485     1.6812	H	1	noname	0.0739
21	H9    -0.6539    -4.7212    -0.7039	H	1	noname	0.0631
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	2
9	5	6	1
10	7	10	1
11	8	11	1
12	9	12	1
13	11	12	2
14	5	13	1
15	6	14	1
16	7	15	1
17	7	16	1
18	9	17	1
19	10	18	1
20	10	19	1
21	11	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1