@<TRIPOS>MOLECULE
91663260
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0589    -1.2687    -1.3812	O.3	1	noname	-0.1451
2	O2     4.1070    -2.8556     0.7791	O.3	1	noname	-0.2814
3	O3     2.3029     0.3613    -2.2436	O.2	1	noname	-0.2513
4	O4     6.3258     2.3396     1.3888	O.2	1	noname	-0.3004
5	C1     4.6943    -0.1846    -0.6608	C.3	1	noname	0.0244
6	C2     4.5928     1.1278     0.1869	C.3	1	noname	0.0170
7	C3     3.3725    -0.9836    -0.6309	C.2	1	noname	0.1104
8	C4     5.9604    -0.9478    -0.3421	C.2	1	noname	-0.0513
9	C5     3.1237    -2.1614     0.1584	C.2	1	noname	0.0188
10	C6     2.2539    -0.5917    -1.4397	C.2	1	noname	0.1308
11	C7     1.8532    -2.7738     0.2944	C.2	1	noname	0.0123
12	C8     5.8117     2.0860     0.2780	C.2	1	noname	0.1311
13	C9     6.8973    -1.2894    -1.3658	C.2	1	noname	-0.0549
14	C10     6.2526    -1.3972     0.9901	C.2	1	noname	-0.0549
15	C11     0.8015    -2.3283    -0.5638	C.2	1	noname	0.0294
16	C12     7.9175    -2.2450    -1.1261	C.2	1	noname	-0.0599
17	C13     7.2695    -2.3496     1.2283	C.2	1	noname	-0.0599
18	C14     1.6106    -3.8565     1.2180	C.2	1	noname	-0.0245
19	C15     6.3570     2.6908    -0.9339	C.3	1	noname	-0.0057
20	C16     8.0951    -2.7906     0.1653	C.2	1	noname	-0.0615
21	C17    -0.4621    -3.0023    -0.5934	C.2	1	noname	-0.0111
22	C18     0.3503    -4.5080     1.1988	C.2	1	noname	-0.0562
23	C19    -0.6698    -4.1004     0.2863	C.2	1	noname	-0.0436
24	H1     4.7871     0.1726    -1.6897	H	1	noname	0.0409
25	H2     3.7105     1.6902    -0.1183	H	1	noname	0.0356
26	H3     4.4209     0.8197     1.2182	H	1	noname	0.0356
27	H4     6.8345    -0.8825    -2.2995	H	1	noname	0.0625
28	H5     5.6662    -1.0989     1.7781	H	1	noname	0.0625
29	H6     8.5262    -2.5398    -1.8896	H	1	noname	0.0622
30	H7     7.4092    -2.7202     2.1683	H	1	noname	0.0622
31	H8     2.3344    -4.1488     1.8746	H	1	noname	0.0630
32	H9     5.5866     3.2900    -1.4193	H	1	noname	0.0310
33	H10     6.6891     1.9061    -1.6137	H	1	noname	0.0310
34	H11     7.2023     3.3277    -0.6734	H	1	noname	0.0310
35	H12     8.8124    -3.4967     0.3306	H	1	noname	0.0622
36	H13    -1.1978    -2.7009    -1.2323	H	1	noname	0.0650
37	H14     0.1708    -5.2768     1.8446	H	1	noname	0.0622
38	H15    -1.5574    -4.6024     0.2653	H	1	noname	0.0623
39	H16     4.1205    -3.7756     0.4416	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	10	1
2	1	15	1
3	2	9	1
4	2	39	1
5	3	10	2
6	4	12	2
7	5	6	1
8	5	7	1
9	5	8	1
10	5	24	1
11	6	12	1
12	6	25	1
13	6	26	1
14	7	9	2
15	7	10	1
16	8	13	2
17	8	14	1
18	9	11	1
19	11	15	1
20	11	18	2
21	12	19	1
22	13	16	1
23	13	27	1
24	14	17	2
25	14	28	1
26	15	21	2
27	16	20	2
28	16	29	1
29	17	20	1
30	17	30	1
31	18	22	1
32	18	31	1
33	19	32	1
34	19	33	1
35	19	34	1
36	20	35	1
37	21	23	1
38	21	36	1
39	22	23	2
40	22	37	1
41	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1