@<TRIPOS>MOLECULE
DB03024
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.3910     0.0688    -0.1594	S.3	1	noname	-0.2073
2	C1     2.1504     0.0803    -0.3610	C.2	1	noname	0.0917
3	C2    -0.0614     1.7423    -0.5029	C.2	1	noname	0.0159
4	N1     2.3352     1.3791    -0.6882	N.2	1	noname	-0.2331
5	N2     3.0413    -0.9118    -0.2278	N.3	1	noname	-0.0912
6	C3     1.2437     2.2058    -0.7597	C.2	1	noname	0.0320
7	C4     1.4402     3.6088    -1.1127	C.3	1	noname	-0.0003
8	C5     2.3557     4.2710    -0.0811	C.3	1	noname	0.0173
9	C6     2.5481     5.6451    -0.4269	C.2	1	noname	0.1251
10	C7     1.7135     4.1788     1.3045	C.3	1	noname	-0.0555
11	O1     3.6707     6.0658    -0.6530	O.2	1	noname	-0.3052
12	H1    -0.9585     2.3599    -0.5471	H	1	noname	0.0759
13	H2     2.7263    -1.8700    -0.1777	H	1	noname	0.1266
14	H3     4.0279    -0.7012    -0.1777	H	1	noname	0.1266
15	H4     1.9667     3.6069    -2.0671	H	1	noname	0.0339
16	H5     0.4598     4.0783    -1.0322	H	1	noname	0.0339
17	H6     3.3482     3.8204    -0.0871	H	1	noname	0.0380
18	H7     1.7900     6.4222    -0.5244	H	1	noname	0.1044
19	H8     1.5870     3.1311     1.5773	H	1	noname	0.0238
20	H9     2.3554     4.6698     2.0359	H	1	noname	0.0238
21	H10     0.7405     4.6698     1.2873	H	1	noname	0.0238
@<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	6	7	1
8	7	8	1
9	8	9	1
10	8	10	1
11	9	11	2
12	3	12	1
13	5	13	1
14	5	14	1
15	7	15	1
16	7	16	1
17	8	17	1
18	9	18	1
19	10	19	1
20	10	20	1
21	10	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1