@<TRIPOS>MOLECULE
86278276
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4547     1.9165    -0.3308	S	1	noname	-0.0841
2	O1     1.7286     1.0560     0.8199	O.2	1	noname	-0.1928
3	O2     3.8502     1.2626    -0.7880	O.2	1	noname	-0.1928
4	O3     0.8347     5.2772    -2.5639	O.3	1	noname	-0.2768
5	O4    -0.7208     3.9276    -3.4240	O.2	1	noname	-0.2659
6	N1     1.4300     1.9082    -1.6913	N.3	1	noname	0.1092
7	N2     0.2487     2.0208    -4.3041	N.3	1	noname	-0.1073
8	N3    -0.3685     0.8459    -6.2351	N.2	1	noname	-0.2317
9	C1     2.6044     3.6206     0.1176	C.2	1	noname	0.0424
10	C2     2.0074     4.6288    -0.7127	C.2	1	noname	0.0433
11	C3     1.0490     3.0395    -2.2410	C.2	1	noname	0.0665
12	C4     1.3057     4.2895    -1.8256	C.2	1	noname	0.0230
13	C5     3.2801     3.9679     1.3143	C.2	1	noname	0.0206
14	C6     0.2980     1.1118    -1.4223	C.3	1	noname	0.0106
15	C7     2.0689     6.0154    -0.3739	C.2	1	noname	-0.0115
16	C8     0.1523     3.0384    -3.3258	C.2	1	noname	0.1212
17	C9     3.3459     5.3493     1.6491	C.2	1	noname	-0.0306
18	C10     2.7559     6.3535     0.8249	C.2	1	noname	-0.0220
19	C11    -0.5555     1.9300    -5.4043	C.2	1	noname	0.0361
20	C12    -1.5664     2.8945    -5.7421	C.2	1	noname	-0.0031
21	C13    -2.3194     2.6687    -6.9363	C.2	1	noname	-0.0350
22	C14    -1.0797     0.6002    -7.3930	C.2	1	noname	0.0028
23	C15    -2.0828     1.5372    -7.7576	C.2	1	noname	-0.0303
24	H1     3.7021     3.2565     1.9111	H	1	noname	0.0639
25	H2    -0.3578     1.1065    -2.2929	H	1	noname	0.0413
26	H3    -0.2384     1.5203    -0.5659	H	1	noname	0.0413
27	H4     0.6151     0.0929    -1.2001	H	1	noname	0.0413
28	H5     1.6405     6.7289    -0.9635	H	1	noname	0.0630
29	H6     3.8286     5.6297     2.5028	H	1	noname	0.0623
30	H7     2.8282     7.3329     1.1006	H	1	noname	0.0622
31	H8     0.9317     1.3423    -4.1855	H	1	noname	0.1390
32	H9    -1.7398     3.7086    -5.1525	H	1	noname	0.0656
33	H10    -3.0428     3.3364    -7.2034	H	1	noname	0.0624
34	H11    -0.8916    -0.2231    -7.9650	H	1	noname	0.0839
35	H12    -2.6307     1.3968    -8.6064	H	1	noname	0.0638
36	H13     1.5782     5.8312    -2.8811	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	6	1
4	1	9	1
5	4	12	1
6	4	36	1
7	5	16	2
8	6	11	1
9	6	14	1
10	7	16	1
11	7	19	1
12	7	31	1
13	8	19	1
14	8	22	2
15	9	10	1
16	9	13	2
17	10	12	1
18	10	15	2
19	11	12	2
20	11	16	1
21	13	17	1
22	13	24	1
23	14	25	1
24	14	26	1
25	14	27	1
26	15	18	1
27	15	28	1
28	17	18	2
29	17	29	1
30	18	30	1
31	19	20	2
32	20	21	1
33	20	32	1
34	21	23	2
35	21	33	1
36	22	23	1
37	22	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1