@<TRIPOS>MOLECULE
DB02072
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.7185    -0.8229     1.2158	S.3	1	noname	-0.1559
2	C1     0.1060    -1.0227     1.4389	C.3	1	noname	0.0283
3	C2    -2.1561     0.9631     1.4015	C.3	1	noname	-0.0022
4	C3     0.7305     0.2171     0.9340	C.2	1	noname	0.0238
5	C4    -0.9621     1.8161     1.8969	C.3	1	noname	0.0290
6	S2     2.1340     0.4412    -0.1119	S.3	1	noname	-0.1735
7	C5     0.2374     1.5294     1.0875	C.2	1	noname	0.0257
8	C6     1.9930     2.1788    -0.4074	C.2	1	noname	0.1094
9	C7     0.8837     2.5491     0.3666	C.2	1	noname	0.0552
10	N1     2.7612     2.9549    -1.1839	N.3	1	noname	-0.0845
11	C8     0.4425     3.8662     0.4188	C.2	1	noname	0.0991
12	C9     3.3534     2.4391    -2.2697	C.2	1	noname	0.1900
13	O1     1.0378     4.7511    -0.2332	O.2	1	noname	-0.2565
14	O2    -0.6289     4.1898     1.1738	O.3	1	noname	-0.2169
15	O3     4.0700     3.1632    -2.9941	O.2	1	noname	-0.2370
16	C10     3.1709     1.0990    -2.5904	C.2	1	noname	0.1753
17	O4     3.7234     0.6179    -3.6032	O.2	1	noname	-0.2255
18	O5     2.3970     0.3171    -1.8080	O.3	1	noname	-0.1949
19	H1     0.3680    -1.0305     2.4969	H	1	noname	0.0438
20	H2     0.4947    -1.7954     0.7756	H	1	noname	0.0438
21	H3    -2.3637     1.3865     0.4188	H	1	noname	0.0383
22	H4    -2.8821     1.0736     2.2069	H	1	noname	0.0383
23	H5    -1.2051     2.8614     1.7065	H	1	noname	0.0325
24	H6    -0.7224     1.4878     2.9083	H	1	noname	0.0325
25	H7     2.8938     3.9287    -0.9509	H	1	noname	0.1384
26	H8    -0.3983     4.1202     2.1031	H	1	noname	0.2216
27	H9     2.5826     0.5045    -0.8849	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	7	1
8	6	8	1
9	7	9	1
10	8	10	1
11	8	9	2
12	9	11	1
13	10	12	1
14	11	13	2
15	11	14	1
16	12	15	2
17	12	16	1
18	16	17	2
19	16	18	1
20	2	19	1
21	2	20	1
22	3	21	1
23	3	22	1
24	5	23	1
25	5	24	1
26	10	25	1
27	14	26	1
28	18	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1