@<TRIPOS>MOLECULE
DB07529
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.3070     0.1189    -0.0225	S.3	1	noname	-0.0439
2	C1     0.8882    -0.0845     1.1397	C.2	1	noname	0.0007
3	C2     1.4307     0.4587    -1.4944	C.2	1	noname	0.0716
4	N1     0.7927    -0.6900     2.2577	N.2	1	noname	-0.2499
5	N2    -0.0979     0.6793     0.3572	N.3	1	noname	0.0522
6	C3     0.0609     0.2826    -1.0644	C.2	1	noname	0.0675
7	C4     1.8710     0.8206    -2.7343	C.2	1	noname	0.0388
8	O1    -0.8625    -0.1449    -1.7903	O.2	1	noname	-0.2848
9	C5     1.1709     1.1133    -3.9343	C.2	1	noname	0.0128
10	N3     1.8662     1.3983    -5.1066	N.2	1	noname	-0.2457
11	C6    -0.2600     1.1335    -3.9953	C.2	1	noname	-0.0175
12	C7     1.2930     1.7081    -6.3300	C.2	1	noname	-0.0018
13	C8    -0.8716     1.4479    -5.2349	C.2	1	noname	-0.0400
14	C9    -0.1209     1.7387    -6.4064	C.2	1	noname	-0.0291
15	H1     0.8060    -1.6879     2.1023	H	1	noname	0.1893
16	H2    -0.7583     1.3487     0.7259	H	1	noname	0.1395
17	H3     2.9583     0.8865    -2.7722	H	1	noname	0.0659
18	H4    -0.8696     0.9147    -3.1185	H	1	noname	0.0645
19	H5     1.9253     1.9181    -7.1927	H	1	noname	0.0839
20	H6    -1.9600     1.4667    -5.2894	H	1	noname	0.0623
21	H7    -0.6198     1.9805    -7.3449	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	5	6	1
8	6	8	2
9	7	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	4	15	1
17	5	16	1
18	7	17	1
19	11	18	1
20	12	19	1
21	13	20	1
22	14	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1