@<TRIPOS>MOLECULE
91810700
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0352    -1.7133     0.0183	S	1	noname	-0.0785
2	O1    -0.1357    -2.7544     0.8153	O.2	1	noname	-0.1924
3	O2    -2.2892    -2.4654    -0.6062	O.2	1	noname	-0.1924
4	O3    -2.6665    -1.4467     4.9060	O.3	1	noname	-0.2689
5	O4    -1.8612    -2.0166     2.7076	O.2	1	noname	-0.2810
6	O5     2.3425     2.0645    -4.3311	O.3	1	noname	-0.2189
7	O6     2.6421     0.0095    -5.2026	O.2	1	noname	-0.2594
8	N1    -1.5670    -0.5141     1.0677	N.3	1	noname	0.1304
9	C1    -0.1018    -0.9972    -1.2502	C.2	1	noname	0.0415
10	C2    -2.3639     0.1625     3.1884	C.2	1	noname	0.0153
11	C3     0.6212     0.1653    -1.0098	C.2	1	noname	0.0321
12	C4    -0.0749    -1.5845    -2.5098	C.2	1	noname	0.0321
13	C5    -1.9239    -0.8298     2.3201	C.2	1	noname	0.0782
14	C6     1.3980     0.1535    -3.2885	C.2	1	noname	0.0261
15	C7     1.3711     0.7407    -2.0290	C.2	1	noname	0.0188
16	C8     0.6750    -1.0091    -3.5290	C.2	1	noname	0.0188
17	C9    -2.7342    -0.1650     4.4876	C.2	1	noname	0.0408
18	C10    -2.4337     1.4822     2.7576	C.2	1	noname	-0.0073
19	C11    -3.1742     0.8272     5.3559	C.2	1	noname	-0.0171
20	C12    -2.8737     2.4744     3.6259	C.2	1	noname	-0.0583
21	C13    -3.2440     2.1469     4.9251	C.2	1	noname	-0.0336
22	C14     2.1479     0.7288    -4.3077	C.2	1	noname	0.0886
23	C15    -1.3839    -1.6960     5.4620	C.3	1	noname	0.0423
24	H1    -1.6156     0.4069     0.7671	H	1	noname	0.1539
25	H2     0.6014     0.5962    -0.0855	H	1	noname	0.0639
26	H3    -0.6054    -2.4376    -2.6862	H	1	noname	0.0639
27	H4     1.9016     1.5938    -1.8525	H	1	noname	0.0631
28	H5     0.6948    -1.4400    -4.4533	H	1	noname	0.0631
29	H6    -2.1619     1.7225     1.8043	H	1	noname	0.0631
30	H7    -3.4459     0.5869     6.3092	H	1	noname	0.0650
31	H8    -2.9248     3.4428     3.3098	H	1	noname	0.0622
32	H9    -3.5668     2.8750     5.5622	H	1	noname	0.0623
33	H10    -1.3292    -2.7309     5.7998	H	1	noname	0.0535
34	H11    -1.2185    -1.0285     6.3076	H	1	noname	0.0535
35	H12    -0.6194    -1.5200     4.7052	H	1	noname	0.0535
36	H13     3.1618     2.4335    -4.7222	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	8	1
4	1	9	1
5	4	17	1
6	4	23	1
7	5	13	2
8	6	22	1
9	6	36	1
10	7	22	2
11	8	13	1
12	8	24	1
13	9	11	2
14	9	12	1
15	10	13	1
16	10	17	1
17	10	18	2
18	11	15	1
19	11	25	1
20	12	16	2
21	12	26	1
22	14	15	2
23	14	16	1
24	14	22	1
25	15	27	1
26	16	28	1
27	17	19	2
28	18	20	1
29	18	29	1
30	19	21	1
31	19	30	1
32	20	21	2
33	20	31	1
34	21	32	1
35	23	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1