@<TRIPOS>MOLECULE
71587178
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6247     1.1740    -0.6009	O.3	1	noname	-0.3445
2	O2    -0.0352    -0.1362     0.2167	O.3	1	noname	-0.3497
3	O3     1.5701     3.9046    -1.2638	O.3	1	noname	-0.3934
4	C1     1.2112    -0.1751    -0.4477	C.3	1	noname	0.1583
5	C2     2.2268    -0.9248     0.4168	C.3	1	noname	0.0007
6	C3     0.4785     1.7583    -1.1790	C.3	1	noname	0.1072
7	C4     1.7812    -2.3791     0.5819	C.3	1	noname	-0.0423
8	C5    -0.6138     0.9873    -0.4417	C.3	1	noname	0.0785
9	C6     0.4092     3.2368    -0.7918	C.3	1	noname	0.0718
10	C7     2.7968    -3.1287     1.4464	C.3	1	noname	-0.0626
11	C8     1.6921    -3.0444    -0.7930	C.3	1	noname	-0.0626
12	H1     1.0676    -0.6117    -1.4361	H	1	noname	0.0922
13	H2     2.2903    -0.4508     1.3963	H	1	noname	0.0321
14	H3     3.2045    -0.8967    -0.0644	H	1	noname	0.0321
15	H4     0.4399     1.5475    -2.2478	H	1	noname	0.0653
16	H5     0.8035    -2.4071     1.0631	H	1	noname	0.0299
17	H6    -1.3618     0.6441    -1.1563	H	1	noname	0.0595
18	H7    -1.0914     1.6071     0.3171	H	1	noname	0.0595
19	H8    -0.4766     3.6883    -1.2386	H	1	noname	0.0591
20	H9     0.3545     3.3261     0.2932	H	1	noname	0.0591
21	H10     2.4793    -4.1648     1.5640	H	1	noname	0.0233
22	H11     2.8602    -2.6547     2.4259	H	1	noname	0.0233
23	H12     3.7744    -3.1007     0.9652	H	1	noname	0.0233
24	H13     1.3746    -4.0805    -0.6754	H	1	noname	0.0233
25	H14     0.9685    -2.5103    -1.4089	H	1	noname	0.0233
26	H15     2.6697    -3.0164    -1.2742	H	1	noname	0.0233
27	H16     1.5258     4.8517    -1.0157	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	4	1
2	1	6	1
3	2	4	1
4	2	8	1
5	3	9	1
6	3	27	1
7	4	5	1
8	4	12	1
9	5	7	1
10	5	13	1
11	5	14	1
12	6	8	1
13	6	9	1
14	6	15	1
15	7	10	1
16	7	11	1
17	7	16	1
18	8	17	1
19	8	18	1
20	9	19	1
21	9	20	1
22	10	21	1
23	10	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1