@<TRIPOS>MOLECULE
71586797
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5575     1.6843     0.3341	O.3	1	noname	-0.2096
2	O2    -0.7224     2.8140    -0.2043	O.2	1	noname	-0.2609
3	C1     4.6083    -2.5865    -0.5817	C.3	1	noname	-0.0532
4	C2     3.4206    -1.6292    -0.4640	C.3	1	noname	-0.0498
5	C3     4.1433    -4.0144    -0.2892	C.3	1	noname	-0.0561
6	C4     3.8912    -0.1839    -0.7600	C.3	1	noname	-0.0347
7	C5     5.3310    -4.9717    -0.4069	C.3	1	noname	-0.0654
8	C6     3.0604     1.0068    -0.7489	C.2	1	noname	-0.0770
9	C7     1.7574     1.2206    -0.5055	C.2	1	noname	-0.0633
10	C8    -4.8503     2.4167     0.2240	C.3	1	noname	-0.0318
11	C9    -3.4155     2.6518    -0.2524	C.3	1	noname	0.0565
12	C10     0.7931     0.3061    -0.1787	C.2	1	noname	-0.0240
13	C11    -5.7749     3.4592    -0.4079	C.3	1	noname	-0.0632
14	C12    -0.5152     0.5091     0.0673	C.2	1	noname	0.0555
15	C13    -1.2337     1.6966     0.0554	C.2	1	noname	0.0946
16	H1     5.0163    -2.5368    -1.5912	H	1	noname	0.0266
17	H2     5.3777    -2.3008     0.1356	H	1	noname	0.0266
18	H3     2.6512    -1.9148    -1.1813	H	1	noname	0.0270
19	H4     3.0126    -1.6788     0.5455	H	1	noname	0.0270
20	H5     3.3739    -4.3001    -1.0065	H	1	noname	0.0264
21	H6     3.7353    -4.0641     0.7203	H	1	noname	0.0264
22	H7     4.5179    -0.1814    -1.6518	H	1	noname	0.0309
23	H8     4.6476     0.0345    -0.0061	H	1	noname	0.0309
24	H9     4.9997    -5.9891    -0.1985	H	1	noname	0.0230
25	H10     5.7390    -4.9221    -1.4164	H	1	noname	0.0230
26	H11     6.1004    -4.6861     0.3104	H	1	noname	0.0230
27	H12     3.5907     1.8165    -0.9706	H	1	noname	0.0575
28	H13     1.5148     2.1960    -0.5880	H	1	noname	0.0619
29	H14    -5.1724     1.4183    -0.0720	H	1	noname	0.0287
30	H15    -4.8917     2.5048     1.3097	H	1	noname	0.0287
31	H16    -3.3742     2.5637    -1.3381	H	1	noname	0.0573
32	H17    -3.0934     3.6502     0.0436	H	1	noname	0.0573
33	H18    -6.7970     3.2916    -0.0684	H	1	noname	0.0231
34	H19    -5.7335     3.3710    -1.4935	H	1	noname	0.0231
35	H20    -5.4527     4.4575    -0.1119	H	1	noname	0.0231
36	H21     1.0663    -0.6343    -0.1073	H	1	noname	0.0624
37	H22    -1.0736    -0.2948     0.2941	H	1	noname	0.0686
@<TRIPOS>BOND
1	1	11	1
2	1	15	1
3	2	15	2
4	3	4	1
5	3	5	1
6	3	16	1
7	3	17	1
8	4	6	1
9	4	18	1
10	4	19	1
11	5	7	1
12	5	20	1
13	5	21	1
14	6	8	1
15	6	22	1
16	6	23	1
17	7	24	1
18	7	25	1
19	7	26	1
20	8	9	2
21	8	27	1
22	9	12	1
23	9	28	1
24	10	11	1
25	10	13	1
26	10	29	1
27	10	30	1
28	11	31	1
29	11	32	1
30	12	14	2
31	12	36	1
32	13	33	1
33	13	34	1
34	13	35	1
35	14	15	1
36	14	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1