@<TRIPOS>MOLECULE
DB03087
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.6015    -0.0247    -0.7870	S.3	1	noname	-0.1957
2	C1     2.2600     0.3579    -0.2980	C.2	1	noname	0.0699
3	C2    -0.3613     1.1580     0.1061	C.2	1	noname	0.0355
4	N1     2.0191     1.3896     0.5421	N.2	1	noname	-0.2308
5	C3     3.5228    -0.2618    -0.6889	C.3	1	noname	0.0699
6	C4     0.7235     1.7894     0.7455	C.2	1	noname	0.0271
7	C5     3.5093    -1.7400    -0.2941	C.3	1	noname	-0.0472
8	C6     3.7033    -0.1401    -2.2034	C.3	1	noname	-0.0561
9	C7     3.3288    -1.8617     1.2203	C.3	1	noname	-0.0647
10	H1    -1.4063     1.4393     0.2357	H	1	noname	0.0756
11	H2     4.3148     0.2706    -0.1623	H	1	noname	0.0374
12	H3     0.5531     2.6231     1.4267	H	1	noname	0.0848
13	H4     2.6240    -2.1801    -0.7529	H	1	noname	0.0271
14	H5     4.4977    -2.1366    -0.5261	H	1	noname	0.0271
15	H6     3.7559    -1.1356    -2.6442	H	1	noname	0.0237
16	H7     2.8576     0.4010    -2.6277	H	1	noname	0.0237
17	H8     4.6251     0.4010    -2.4171	H	1	noname	0.0237
18	H9     3.2957    -2.9150     1.4988	H	1	noname	0.0231
19	H10     4.1649    -1.3784     1.7259	H	1	noname	0.0231
20	H11     2.3974    -1.3784     1.5152	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	6	1
7	5	7	1
8	5	8	1
9	7	9	1
10	3	10	1
11	5	11	1
12	6	12	1
13	7	13	1
14	7	14	1
15	8	15	1
16	8	16	1
17	8	17	1
18	9	18	1
19	9	19	1
20	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1