@<TRIPOS>MOLECULE
71587538
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.1026    -1.2723    -0.1548	S.3	1	noname	-0.0285
2	O1     0.2422     1.0960     0.4525	O.2	1	noname	-0.2829
3	C1    -3.6966    -0.8389    -0.5525	C.3	1	noname	-0.0531
4	C2    -2.2470    -0.4079    -0.7840	C.3	1	noname	-0.0455
5	C3    -4.4758    -0.7337    -1.8650	C.3	1	noname	-0.0561
6	C4    -1.4678    -0.5131     0.5285	C.3	1	noname	0.0166
7	C5    -5.9255    -1.1647    -1.6335	C.3	1	noname	-0.0654
8	C6    -0.0845    -0.1019     0.3076	C.2	1	noname	0.1292
9	C7     2.6987    -0.4634    -0.3498	C.3	1	noname	0.0186
10	C8     3.6799    -1.4308    -0.7321	C.2	1	noname	-0.0885
11	C9     4.9401    -1.0562    -0.9333	C.2	1	noname	-0.0950
12	H1    -4.1538    -0.1899     0.1945	H	1	noname	0.0266
13	H2    -3.7172    -1.8700    -0.1994	H	1	noname	0.0266
14	H3    -2.2264     0.6231    -1.1371	H	1	noname	0.0271
15	H4    -1.7898    -1.0570    -1.5309	H	1	noname	0.0271
16	H5    -4.4553     0.2973    -2.2181	H	1	noname	0.0264
17	H6    -4.0187    -1.3827    -2.6119	H	1	noname	0.0264
18	H7    -1.9249     0.1359     1.2755	H	1	noname	0.0355
19	H8    -1.4883    -1.5442     0.8816	H	1	noname	0.0355
20	H9    -6.4806    -1.0898    -2.5685	H	1	noname	0.0230
21	H10    -6.3826    -0.5157    -0.8865	H	1	noname	0.0230
22	H11    -5.9460    -2.1957    -1.2804	H	1	noname	0.0230
23	H12     2.6254     0.3038    -1.1206	H	1	noname	0.0428
24	H13     2.9906    -0.0032     0.5942	H	1	noname	0.0428
25	H14     3.4212    -2.3795    -0.8469	H	1	noname	0.0578
26	H15     5.6194    -1.7260    -1.1979	H	1	noname	0.0534
27	H16     5.1988    -0.1075    -0.8185	H	1	noname	0.0534
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	2	8	2
4	3	4	1
5	3	5	1
6	3	12	1
7	3	13	1
8	4	6	1
9	4	14	1
10	4	15	1
11	5	7	1
12	5	16	1
13	5	17	1
14	6	8	1
15	6	18	1
16	6	19	1
17	7	20	1
18	7	21	1
19	7	22	1
20	9	10	1
21	9	23	1
22	9	24	1
23	10	11	2
24	10	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1