@<TRIPOS>MOLECULE
DB01635
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4683     0.1174     0.1851	S.3	1	noname	-0.1380
2	C1     1.2030     0.6269     0.7467	C.3	1	noname	0.0596
3	C2    -0.6467     1.1215    -1.3448	C.3	1	noname	0.0202
4	N1     1.7913     0.8698    -0.5811	N.3	1	noname	-0.2908
5	C3     1.9043    -0.5627     1.4054	C.3	1	noname	-0.0376
6	C4     1.1396     1.9175     1.5661	C.3	1	noname	-0.0376
7	C5     0.8443     1.4578    -1.5761	C.3	1	noname	0.1040
8	C6     1.0161     2.9072    -1.6137	C.2	1	noname	0.1442
9	O1     1.4788     3.4554    -2.6374	O.2	1	noname	-0.2493
10	O2     0.6752     3.6554    -0.5429	O.3	1	noname	-0.2137
11	H1    -0.9620     0.5054    -2.1869	H	1	noname	0.0402
12	H2    -1.1518     2.0656    -1.1409	H	1	noname	0.0402
13	H3     2.7553     0.6530    -0.7902	H	1	noname	0.1244
14	H4     1.8462    -0.4640     2.4894	H	1	noname	0.0258
15	H5     1.4166    -1.4877     1.0981	H	1	noname	0.0258
16	H6     2.9499    -0.5837     1.0981	H	1	noname	0.0258
17	H7     1.1516     1.6743     2.6285	H	1	noname	0.0258
18	H8     2.0000     2.5424     1.3267	H	1	noname	0.0258
19	H9     0.2222     2.4552     1.3267	H	1	noname	0.0258
20	H10     1.1446     1.0345    -2.5346	H	1	noname	0.0583
21	H11     0.4423     3.0793     0.1888	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	4	7	1
8	7	8	1
9	8	9	2
10	8	10	1
11	3	11	1
12	3	12	1
13	4	13	1
14	5	14	1
15	5	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	6	19	1
20	7	20	1
21	10	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1