@<TRIPOS>MOLECULE
DB03876
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7707    -0.0656    -0.1123	S.3	1	noname	-0.1682
2	C1     0.0178     0.0047     0.0222	C.2	1	noname	0.0623
3	C2     2.1051     1.5994    -0.5821	C.2	1	noname	0.0646
4	N1    -0.9511    -0.9256     0.3123	N.2	1	noname	-0.2151
5	C3    -0.2800     1.3561    -0.2565	C.2	1	noname	0.0454
6	C4     3.3030     2.1717    -0.8772	C.2	1	noname	0.0244
7	C5     0.8280     2.1920    -0.5772	C.2	1	noname	0.0323
8	C6    -2.2824    -0.5468     0.3490	C.2	1	noname	0.0054
9	C7    -1.6483     1.7498    -0.2014	C.2	1	noname	-0.0177
10	N2     3.3584     3.4036    -1.2012	N.2	1	noname	0.1704
11	N3     4.3999     1.4572    -0.8286	N.3	1	noname	-0.0952
12	C8    -2.6580     0.7919     0.1022	C.2	1	noname	-0.0176
13	H1     0.7029     3.2493    -0.8108	H	1	noname	0.0647
14	H2    -3.0351    -1.3029     0.5724	H	1	noname	0.0839
15	H3    -1.9237     2.7870    -0.3920	H	1	noname	0.0630
16	H4     4.2542     3.8522    -1.3295	H	1	noname	0.2870
17	H5     2.5066     3.9309    -1.3295	H	1	noname	0.2870
18	H6     4.3454     0.4489    -0.8099	H	1	noname	0.1297
19	H7     5.3002     1.9147    -0.8099	H	1	noname	0.1297
20	H8    -3.7082     1.0806     0.1451	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	8	1
8	5	9	2
9	5	7	1
10	6	10	2
11	6	11	1
12	8	12	2
13	9	12	1
14	7	13	1
15	8	14	1
16	9	15	1
17	10	16	1
18	10	17	1
19	11	18	1
20	11	19	1
21	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1