@<TRIPOS>MOLECULE
DB07387
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.2897     0.4096    -0.6558	S	1	noname	0.0447
2	O1     1.4883    -0.1438     0.2302	O.2	1	noname	-0.1920
3	O2    -0.6317     1.3553     0.2302	O.2	1	noname	-0.1920
4	C1    -0.6863    -0.9706    -1.2743	C.3	1	noname	0.0665
5	C2     0.9517     1.3459    -2.0433	C.3	1	noname	0.0572
6	C3    -1.2490    -1.7663    -0.0949	C.3	1	noname	0.0497
7	C4     1.7812     2.5190    -1.5176	C.3	1	noname	-0.0372
8	C5    -2.0406    -2.8858    -0.5966	C.2	1	noname	0.1354
9	C6     2.3439     3.3148    -2.6970	C.3	1	noname	-0.0549
10	O3    -2.5942    -3.6688     0.2052	O.2	1	noname	-0.2555
11	O4    -2.1746    -3.0754    -1.9265	O.3	1	noname	-0.2186
12	C7     3.1735     4.4880    -2.1712	C.3	1	noname	-0.0653
13	H1    -1.5734    -0.5901    -1.7807	H	1	noname	0.0468
14	H2    -0.0319    -1.6801    -1.7807	H	1	noname	0.0468
15	H3     1.6752     0.7341    -2.5822	H	1	noname	0.0463
16	H4     0.1337     1.8241    -2.5822	H	1	noname	0.0463
17	H5    -0.4060    -2.2092     0.4355	H	1	noname	0.0385
18	H6    -1.9475    -1.1192     0.4355	H	1	noname	0.0385
19	H7     1.0928     3.1804    -0.9916	H	1	noname	0.0279
20	H8     2.6343     2.0904    -0.9916	H	1	noname	0.0279
21	H9     3.0323     2.6534    -3.2230	H	1	noname	0.0264
22	H10     1.4909     3.7434    -3.2230	H	1	noname	0.0264
23	H11    -2.1936    -4.0164    -2.1153	H	1	noname	0.2213
24	H12     3.1666     4.4782    -1.0813	H	1	noname	0.0230
25	H13     4.1991     4.3969    -2.5289	H	1	noname	0.0230
26	H14     2.7457     5.4246    -2.5289	H	1	noname	0.0230
@<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	1
7	6	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	9	21	1
21	9	22	1
22	11	23	1
23	12	24	1
24	12	25	1
25	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1