@<TRIPOS>MOLECULE
DB02248
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.2391    -0.7836    -0.5603	S	1	noname	0.0339
2	O1    -0.7661    -2.3005    -0.3097	O.2	1	noname	-0.1560
3	O2    -2.2079    -0.7259    -1.8332	O.2	1	noname	-0.1560
4	O3    -2.1003    -0.2548     0.8259	O.3	1	noname	-0.1417
5	C1     0.2470     0.2511    -0.8161	C.3	1	noname	0.1436
6	N1     1.2302    -0.0589     0.2043	N.3	1	noname	-0.2850
7	C2    -0.0093     1.7435    -0.6700	C.3	1	noname	-0.0138
8	C3     2.2178     0.9805    -0.0719	C.3	1	noname	0.0976
9	C4     1.4210     2.2434    -0.4226	C.3	1	noname	-0.0163
10	C5     3.0327     0.5856    -1.2171	C.2	1	noname	0.1439
11	C6     1.4277     3.1989     0.7724	C.3	1	noname	-0.0604
12	O4     4.2692     0.4544    -1.0887	O.2	1	noname	-0.2495
13	O5     2.4509     0.3622    -2.4146	O.3	1	noname	-0.2139
14	H1    -2.4081    -1.0171     1.3215	H	1	noname	0.2384
15	H2     0.7582     0.1517    -1.7736	H	1	noname	0.0693
16	H3     1.2278    -0.7872     0.9040	H	1	noname	0.1246
17	H4    -0.3566     2.1314    -1.6276	H	1	noname	0.0300
18	H5    -0.6001     1.9076     0.2311	H	1	noname	0.0300
19	H6     2.8919     1.0998     0.7763	H	1	noname	0.0577
20	H7     1.8344     2.7759    -1.2790	H	1	noname	0.0322
21	H8     1.4328     2.6232     1.6979	H	1	noname	0.0234
22	H9     2.3174     3.8271     0.7302	H	1	noname	0.0234
23	H10     0.5375     3.8271     0.7402	H	1	noname	0.0234
24	H11     2.3785    -0.5834    -2.5637	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	5	1	1
5	5	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	8	9	1
11	9	11	1
12	10	12	2
13	10	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	11	21	1
22	11	22	1
23	11	23	1
24	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1