@<TRIPOS>MOLECULE
71940264
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0103    -1.6295    -0.0325	S	1	noname	-0.0797
2	O1    -0.1321    -2.7015     0.7470	O.2	1	noname	-0.1925
3	O2    -2.2630    -2.3511    -0.6945	O.2	1	noname	-0.1925
4	O3    -2.7057    -1.4829     4.8385	O.3	1	noname	-0.2689
5	O4    -1.8760    -1.9993     2.6360	O.2	1	noname	-0.2810
6	O5     2.2899     0.4034    -5.3919	O.2	1	noname	-0.2972
7	N1    -1.5447    -0.4547     1.0430	N.3	1	noname	0.1304
8	N2     2.9600     2.0066    -3.9728	N.3	1	noname	-0.0879
9	C1    -0.0528    -0.8879    -1.2677	C.2	1	noname	0.0331
10	C2     0.6782     0.2601    -0.9851	C.2	1	noname	0.0286
11	C3    -0.0144    -1.4399    -2.5428	C.2	1	noname	0.0286
12	C4    -2.3639     0.1704     3.1710	C.2	1	noname	0.0153
13	C5    -1.9218    -0.8016     2.2812	C.2	1	noname	0.0782
14	C6     1.4860     0.3040    -3.2527	C.2	1	noname	0.0182
15	C7     1.4476     0.8561    -1.9776	C.2	1	noname	0.0060
16	C8     0.7550    -0.8440    -3.5353	C.2	1	noname	0.0060
17	C9    -2.7551    -0.1894     4.4553	C.2	1	noname	0.0408
18	C10    -2.4148     1.5023     2.7764	C.2	1	noname	-0.0073
19	C11    -3.1972     0.7826     5.3452	C.2	1	noname	-0.0171
20	C12    -2.8569     2.4743     3.6663	C.2	1	noname	-0.0583
21	C13    -3.2481     2.1145     4.9506	C.2	1	noname	-0.0336
22	C14     2.2554     0.8999    -4.2452	C.2	1	noname	0.0127
23	C15    -1.4333    -1.7607     5.4044	C.3	1	noname	0.0423
24	H1    -1.5802     0.4747     0.7677	H	1	noname	0.1539
25	H2     0.6500     0.6653    -0.0495	H	1	noname	0.0639
26	H3    -0.5508    -2.2824    -2.7502	H	1	noname	0.0639
27	H4     1.9840     1.6985    -1.7703	H	1	noname	0.0631
28	H5     0.7832    -1.2491    -4.4710	H	1	noname	0.0631
29	H6    -2.1278     1.7663     1.8340	H	1	noname	0.0631
30	H7    -3.4843     0.5186     6.2876	H	1	noname	0.0650
31	H8    -2.8943     3.4517     3.3768	H	1	noname	0.0622
32	H9    -3.5726     2.8278     5.6036	H	1	noname	0.0623
33	H10    -1.3934    -2.8051     5.7138	H	1	noname	0.0535
34	H11    -1.2729    -1.1187     6.2706	H	1	noname	0.0535
35	H12    -0.6568    -1.5714     4.6632	H	1	noname	0.0535
36	H13     2.9332     2.3919    -3.0830	H	1	noname	0.1274
37	H14     3.4969     2.4225    -4.6654	H	1	noname	0.1274
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	7	1
4	1	9	1
5	4	17	1
6	4	23	1
7	5	13	2
8	6	22	2
9	7	13	1
10	7	24	1
11	8	22	1
12	8	36	1
13	8	37	1
14	9	10	2
15	9	11	1
16	10	15	1
17	10	25	1
18	11	16	2
19	11	26	1
20	12	13	1
21	12	17	1
22	12	18	2
23	14	15	2
24	14	16	1
25	14	22	1
26	15	27	1
27	16	28	1
28	17	19	2
29	18	20	1
30	18	29	1
31	19	21	1
32	19	30	1
33	20	21	2
34	20	31	1
35	21	32	1
36	23	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1