@<TRIPOS>MOLECULE
71587890
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4807    -0.4066     1.9463	S.3	1	noname	-0.1351
2	O1    -0.2132    -0.1445    -2.0347	O.3	1	noname	-0.1993
3	O2    -1.8692    -1.8882     2.2920	O.2	1	noname	-0.2823
4	O3    -2.1071    -0.4510    -0.7705	O.2	1	noname	-0.2510
5	O4     1.6763     0.0046     5.5125	O.2	1	noname	-0.2783
6	O5     4.2579    -2.8715     7.1351	O.3	1	noname	-0.3411
7	O6     1.0005    -4.0268     5.0479	O.3	1	noname	-0.1943
8	N1    -0.1021    -0.6099     1.4016	N.3	1	noname	0.0614
9	N2     0.5866    -1.4991     4.2035	N.3	1	noname	-0.0536
10	N3     2.0207    -3.4491     5.6118	N.2	1	noname	-0.1616
11	C1     0.7424     0.0875     2.2955	C.3	1	noname	0.0924
12	C2    -0.1111    -0.5329     3.4415	C.3	1	noname	0.1144
13	C3    -0.8779    -1.1254     2.3374	C.2	1	noname	0.0862
14	C4     0.0552    -0.6543     0.0802	C.2	1	noname	0.0396
15	C5     1.2593    -0.7529    -0.4903	C.2	1	noname	0.0254
16	C6     2.4994    -0.9993     0.2068	C.3	1	noname	0.0204
17	C7     1.1730    -0.4560    -1.8863	C.3	1	noname	0.0807
18	C8    -0.8618    -0.4002    -0.8832	C.2	1	noname	0.1071
19	C9     1.5196    -1.1906     5.1762	C.2	1	noname	0.0715
20	C10     2.3075    -2.1890     5.7475	C.2	1	noname	0.1185
21	C11     3.4999    -1.9329     6.4752	C.2	1	noname	0.0696
22	C12     4.1891    -0.7144     6.6332	C.2	1	noname	0.0299
23	C13     5.3298    -0.9233     7.3742	C.2	1	noname	0.0087
24	C14     5.3512    -2.2705     7.6806	C.2	1	noname	0.0545
25	C15     1.3824    -4.5710     3.7654	C.3	1	noname	0.0662
26	H1     0.6078     1.1574     2.2173	H	1	noname	0.0615
27	H2    -0.7088     0.1834     4.0082	H	1	noname	0.0592
28	H3     2.7205    -2.0665     0.1889	H	1	noname	0.0429
29	H4     3.3340    -0.5759    -0.3521	H	1	noname	0.0429
30	H5     0.3973    -2.4317     4.0096	H	1	noname	0.1323
31	H6     1.4083    -1.3503    -2.4632	H	1	noname	0.0622
32	H7     1.8660     0.3196    -2.2124	H	1	noname	0.0622
33	H8     3.9203     0.1844     6.2486	H	1	noname	0.0651
34	H9     6.0103    -0.2127     7.6377	H	1	noname	0.0644
35	H10     6.0760    -2.7196     8.2386	H	1	noname	0.0900
36	H11     0.5201    -5.0518     3.3034	H	1	noname	0.0558
37	H12     1.7387    -3.7672     3.1212	H	1	noname	0.0558
38	H13     2.1766    -5.3046     3.9039	H	1	noname	0.0558
@<TRIPOS>BOND
1	1	11	1
2	1	16	1
3	2	17	1
4	2	18	1
5	3	13	2
6	4	18	2
7	5	19	2
8	6	21	1
9	6	24	1
10	7	10	1
11	7	25	1
12	8	11	1
13	8	13	1
14	8	14	1
15	12	9	1
16	9	19	1
17	9	30	1
18	10	20	2
19	11	12	1
20	11	26	1
21	12	13	1
22	12	27	1
23	14	15	2
24	14	18	1
25	15	16	1
26	15	17	1
27	16	28	1
28	16	29	1
29	17	31	1
30	17	32	1
31	19	20	1
32	20	21	1
33	21	22	2
34	22	23	1
35	22	33	1
36	23	24	2
37	23	34	1
38	24	35	1
39	25	36	1
40	25	37	1
41	25	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1