@<TRIPOS>MOLECULE
DB01015
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2536    -1.2482    -0.0157	S	1	noname	-0.0957
2	O1     1.2187    -1.0849     0.6025	O.2	1	noname	-0.1945
3	O2    -0.6304    -2.8078    -0.1384	O.2	1	noname	-0.1945
4	N1    -1.3232    -0.5067     1.1074	N.3	1	noname	0.1169
5	C1    -0.3036    -0.4670    -1.5974	C.2	1	noname	-0.0163
6	C2    -1.5231    -0.9997     2.3544	C.2	1	noname	0.0957
7	C3    -0.7112     0.9139    -1.7025	C.2	1	noname	0.0114
8	C4     0.1140    -1.2340    -2.7449	C.2	1	noname	0.0114
9	N2    -2.2922    -0.3967     3.2641	N.2	1	noname	-0.1682
10	C5    -0.9880    -2.1390     2.9393	C.2	1	noname	0.0669
11	C6    -0.6999     1.5276    -2.9882	C.2	1	noname	-0.0446
12	C7     0.1187    -0.6031    -4.0227	C.2	1	noname	-0.0446
13	O3    -2.2153    -1.0541     4.3890	O.3	1	noname	-0.3529
14	C8    -1.4210    -2.1246     4.2521	C.2	1	noname	0.0898
15	C9    -0.2865     0.7650    -4.1249	C.2	1	noname	-0.0035
16	C10    -1.0782    -3.0912     5.2912	C.3	1	noname	0.0587
17	N3    -0.2785     1.3529    -5.3291	N.3	1	noname	-0.1510
18	H1    -1.9030     0.3162     1.0248	H	1	noname	0.1523
19	H2    -1.0221     1.4831    -0.8264	H	1	noname	0.0639
20	H3     0.4216    -2.2752    -2.6480	H	1	noname	0.0639
21	H4    -0.3572    -2.8909     2.4650	H	1	noname	0.0682
22	H5    -1.0040     2.5682    -3.1010	H	1	noname	0.0639
23	H6     0.4276    -1.1584    -4.9083	H	1	noname	0.0639
24	H7    -1.2060    -4.1019     4.9037	H	1	noname	0.0301
25	H8    -0.0411    -2.9467     5.5940	H	1	noname	0.0301
26	H9    -1.7314    -2.9467     6.1517	H	1	noname	0.0301
27	H10    -1.1501     1.5745    -5.7887	H	1	noname	0.1242
28	H11     0.5992     1.5745    -5.7770	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	2
14	11	15	2
15	12	15	1
16	13	14	1
17	14	16	1
18	15	17	1
19	4	18	1
20	7	19	1
21	8	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	16	24	1
26	16	25	1
27	16	26	1
28	17	27	1
29	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1