@<TRIPOS>MOLECULE
DB01800
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.7272    -1.3429    -0.8649	S	1	noname	0.0333
2	O1    -3.2061    -1.7737    -0.4708	O.2	1	noname	-0.1257
3	O2    -0.9795    -2.5724    -1.5413	O.2	1	noname	-0.1257
4	O3    -0.8893    -0.8691     0.5242	O.3	1	noname	-0.0737
5	O4    -1.7879    -0.0521    -1.9540	O.3	1	noname	-0.1146
6	C1    -0.3437     0.3499     0.3267	C.2	1	noname	0.0664
7	C2     0.9371     0.4607    -0.2018	C.2	1	noname	0.0818
8	C3    -1.0628     1.4941     0.6520	C.2	1	noname	0.0883
9	O5     1.6354    -0.6506    -0.5176	O.3	1	noname	-0.2695
10	C4     1.4988     1.7158    -0.4050	C.2	1	noname	0.0106
11	C5    -0.5010     2.7492     0.4487	C.2	1	noname	0.0351
12	C6     0.7798     2.8600    -0.0798	C.2	1	noname	0.0427
13	N1    -1.1761     3.8235     0.7541	N.2	1	noname	-0.0163
14	O6    -2.3394     3.8183     0.6901	O.2	1	noname	-0.1447
15	O7    -0.5674     4.8704     1.1196	O.3	1	noname	-0.1447
16	H1    -1.8267     0.7750    -1.4682	H	1	noname	0.2408
17	H2    -2.0672     1.4072     1.0664	H	1	noname	0.0676
18	H3     1.9137    -1.0933     0.2875	H	1	noname	0.2183
19	H4     2.5032     1.8027    -0.8195	H	1	noname	0.0651
20	H5     1.2203     3.8442    -0.2392	H	1	noname	0.0648
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	2
11	10	12	2
12	11	13	1
13	11	12	1
14	13	14	2
15	13	15	1
16	5	16	1
17	8	17	1
18	9	18	1
19	10	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1