@<TRIPOS>MOLECULE
90473042
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3086     3.8538    -0.2980	S	1	noname	-0.0457
2	O1    -1.2669     4.2612    -1.6291	O.3	1	noname	-0.1486
3	O2     1.2123     3.7537    -0.7507	O.2	1	noname	-0.1687
4	O3    -0.4554     4.9719     0.8229	O.2	1	noname	-0.1687
5	C1    -0.6689    -0.0732     0.3741	C.2	1	noname	-0.0175
6	C2    -1.6486    -0.1210     1.3590	C.2	1	noname	-0.0170
7	C3    -0.8226     2.3291     0.3376	C.2	1	noname	0.0315
8	C4    -0.2559     1.1518    -0.1366	C.2	1	noname	0.0357
9	C5    -0.1022    -1.2506    -0.1001	C.2	1	noname	-0.0494
10	C6    -0.5152    -2.4756     0.4106	C.2	1	noname	-0.0541
11	C7    -2.2153     1.0564     1.8332	C.2	1	noname	-0.0210
12	C8    -2.0616    -1.3460     1.8697	C.2	1	noname	-0.0432
13	C9    -1.8023     2.2814     1.3225	C.2	1	noname	0.0272
14	C10    -1.4949    -2.5233     1.3955	C.2	1	noname	-0.0613
15	C11     0.0801    -3.7122    -0.0874	C.3	1	noname	-0.0017
16	H1     0.4630     1.1868    -0.8593	H	1	noname	0.0646
17	H2     0.6167    -1.2156    -0.8228	H	1	noname	0.0631
18	H3    -2.9342     1.0213     2.5559	H	1	noname	0.0629
19	H4    -2.7805    -1.3810     2.5924	H	1	noname	0.0629
20	H5    -2.2182     3.1453     1.6705	H	1	noname	0.0639
21	H6    -1.7980    -3.4223     1.7703	H	1	noname	0.0625
22	H7    -0.1033    -3.7981    -1.1585	H	1	noname	0.0279
23	H8    -0.3663    -4.5632     0.4270	H	1	noname	0.0279
24	H9     1.1542    -3.6986     0.0973	H	1	noname	0.0279
25	H10    -2.1219     4.6246    -1.3170	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	7	1
5	2	25	1
6	5	6	2
7	5	8	1
8	5	9	1
9	6	11	1
10	6	12	1
11	7	8	2
12	7	13	1
13	8	16	1
14	9	10	2
15	9	17	1
16	10	14	1
17	10	15	1
18	11	13	2
19	11	18	1
20	12	14	2
21	12	19	1
22	13	20	1
23	14	21	1
24	15	22	1
25	15	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1