@<TRIPOS>MOLECULE
DB01803
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.0584    -1.5705     0.1272	S.3	1	noname	-0.1725
2	C1     1.0436    -0.1259     0.4783	C.3	1	noname	0.0387
3	C2     0.2243     0.2355    -0.7622	C.3	1	noname	-0.0015
4	N1    -0.6000     1.4088    -0.4771	N.4	1	noname	0.0069
5	C3    -1.3829     1.7542    -1.6625	C.3	1	noname	-0.0215
6	C4    -1.5029     1.1118     0.6337	C.3	1	noname	-0.0215
7	C5     0.2616     2.5339    -0.1173	C.3	1	noname	-0.0215
8	H1     2.4460    -2.1223     1.2620	H	1	noname	0.1024
9	H2     0.2908    -0.3831     1.2235	H	1	noname	0.0444
10	H3     1.6862     0.7414     0.6296	H	1	noname	0.0444
11	H4     0.9235     0.5417    -1.5403	H	1	noname	0.0949
12	H5    -0.4718    -0.5828    -0.9464	H	1	noname	0.0949
13	H6    -1.7112     0.8415    -2.1597	H	1	noname	0.0902
14	H7    -2.2532     2.3393    -1.3654	H	1	noname	0.0902
15	H8    -0.7679     2.3393    -2.3463	H	1	noname	0.0902
16	H9    -1.5956     0.0318     0.7478	H	1	noname	0.0902
17	H10    -1.1025     1.5411     1.5522	H	1	noname	0.0902
18	H11    -2.4838     1.5411     0.4294	H	1	noname	0.0902
19	H12     0.3220     2.6127     0.9682	H	1	noname	0.0902
20	H13     1.2592     2.3727    -0.5259	H	1	noname	0.0902
21	H14    -0.1540     3.4550    -0.5259	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	1	8	1
8	2	9	1
9	2	10	1
10	3	11	1
11	3	12	1
12	5	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	7	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1