@<TRIPOS>MOLECULE
DB03012
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.5576    -3.3891     0.1072	S	1	noname	-0.1503
2	O1    -3.4649    -4.4702     0.8395	O.2	1	noname	-0.1955
3	O2    -1.0437    -3.8751     0.1146	O.2	1	noname	-0.1955
4	N1    -2.6817    -1.8739     0.9368	N.3	1	noname	0.0117
5	N2    -3.0944    -3.1975    -1.5284	N.3	1	noname	-0.0050
6	C1    -1.8667    -0.8736     0.2492	C.3	1	noname	0.1152
7	C2    -1.9713     0.4037     0.9486	C.2	1	noname	0.1446
8	C3    -2.3650    -0.7103    -1.1881	C.3	1	noname	-0.0014
9	O3    -0.9473     0.9438     1.4199	O.2	1	noname	-0.2490
10	O4    -3.1739     1.0014     1.0862	O.3	1	noname	-0.2135
11	C4    -1.5512     0.2885    -1.8748	C.2	1	noname	-0.0540
12	C5    -0.4072    -0.1001    -2.5621	C.2	1	noname	-0.0566
13	C6    -1.9203     1.6282    -1.8413	C.2	1	noname	-0.0566
14	C7     0.3676     0.8508    -3.2159	C.2	1	noname	-0.0604
15	C8    -1.1455     2.5792    -2.4950	C.2	1	noname	-0.0604
16	C9    -0.0015     2.1905    -3.1823	C.2	1	noname	-0.0616
17	H1    -3.1923    -1.5938     1.7620	H	1	noname	0.1462
18	H2    -4.0820    -3.1416    -1.7325	H	1	noname	0.1413
19	H3    -2.4199    -3.1416    -2.2780	H	1	noname	0.1413
20	H4    -0.8264    -1.1967     0.2862	H	1	noname	0.0591
21	H5    -2.1857    -1.6517    -1.7076	H	1	noname	0.0338
22	H6    -3.3723    -0.2964    -1.1424	H	1	noname	0.0338
23	H7    -3.3763     1.1020     2.0192	H	1	noname	0.2213
24	H8    -0.1177    -1.1507    -2.5884	H	1	noname	0.0625
25	H9    -2.8174     1.9330    -1.3023	H	1	noname	0.0625
26	H10     1.2647     0.5460    -3.7548	H	1	noname	0.0622
27	H11    -1.4350     3.6297    -2.4687	H	1	noname	0.0622
28	H12     0.6060     2.9362    -3.6950	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	6	4	1
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	1
11	11	12	2
12	11	13	1
13	12	14	1
14	13	15	2
15	14	16	2
16	15	16	1
17	4	17	1
18	5	18	1
19	5	19	1
20	6	20	1
21	8	21	1
22	8	22	1
23	10	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
28	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1