@<TRIPOS>MOLECULE
71587195
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4005    -0.2346    -0.2186	O.3	1	noname	-0.2052
2	O2     3.5336    -0.8912     0.2536	O.2	1	noname	-0.2518
3	C1    -2.2419     0.4264    -0.8700	C.3	1	noname	-0.0511
4	C2    -2.9806     1.6734    -1.3691	C.3	1	noname	-0.0535
5	C3    -0.7398     0.7460    -0.7963	C.3	1	noname	-0.0289
6	C4    -4.4871     1.3839    -1.4579	C.3	1	noname	-0.0561
7	C5    -0.0105    -0.4820    -0.3019	C.3	1	noname	0.0564
8	C6    -5.2202     2.6347    -1.9590	C.3	1	noname	-0.0654
9	C7     1.8492    -2.5340     0.6182	C.3	1	noname	0.0603
10	C8     2.3196    -1.1814     0.2012	C.2	1	noname	0.1434
11	C9     2.1417    -2.8382     2.0819	C.3	1	noname	-0.0496
12	C10     2.3166    -3.5830    -0.2970	C.2	1	noname	-0.0812
13	C11     1.5533    -4.3703    -1.0782	C.2	1	noname	-0.0857
14	C12     0.1151    -4.4017    -1.2408	C.3	1	noname	-0.0469
15	H1    -2.6183     0.1448     0.1220	H	1	noname	0.0267
16	H2    -2.4128    -0.4097    -1.5593	H	1	noname	0.0267
17	H3    -2.7978     2.4994    -0.6744	H	1	noname	0.0266
18	H4    -2.5925     1.9467    -2.3553	H	1	noname	0.0266
19	H5    -0.5534     1.5591    -0.0864	H	1	noname	0.0290
20	H6    -0.3460     1.0046    -1.7824	H	1	noname	0.0290
21	H7    -4.8656     1.1055    -0.4696	H	1	noname	0.0264
22	H8    -4.6603     0.5530    -2.1486	H	1	noname	0.0264
23	H9    -0.4347    -0.7142     0.6819	H	1	noname	0.0573
24	H10    -0.1958    -1.3114    -0.9919	H	1	noname	0.0573
25	H11     0.7772    -2.5692     0.6752	H	1	noname	0.0449
26	H12    -6.2867     2.4265    -2.0209	H	1	noname	0.0230
27	H13    -5.0524     3.4632    -1.2669	H	1	noname	0.0230
28	H14    -4.8468     2.9101    -2.9481	H	1	noname	0.0230
29	H15     1.6975    -3.8196     2.3062	H	1	noname	0.0242
30	H16     1.6681    -2.0759     2.7350	H	1	noname	0.0242
31	H17     3.2187    -2.8429     2.2233	H	1	noname	0.0242
32	H18     3.3129    -3.7285    -0.3184	H	1	noname	0.0580
33	H19     2.0520    -5.0438    -1.6221	H	1	noname	0.0569
34	H20    -0.4400    -3.6953    -0.6504	H	1	noname	0.0273
35	H21    -0.2512    -5.4088    -1.0417	H	1	noname	0.0273
36	H22    -0.0964    -4.2579    -2.3004	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	10	2
4	3	4	1
5	3	5	1
6	3	15	1
7	3	16	1
8	4	6	1
9	4	17	1
10	4	18	1
11	5	7	1
12	5	19	1
13	5	20	1
14	6	8	1
15	6	21	1
16	6	22	1
17	7	23	1
18	7	24	1
19	8	26	1
20	8	27	1
21	8	28	1
22	9	10	1
23	9	11	1
24	9	12	1
25	9	25	1
26	11	29	1
27	11	30	1
28	11	31	1
29	12	13	2
30	12	32	1
31	13	14	1
32	13	33	1
33	14	34	1
34	14	35	1
35	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1