@<TRIPOS>MOLECULE
71587781
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -6.5106    -1.8116     2.0889	O.3	1	noname	-0.3408
2	O2    -5.9575     0.2438     1.3072	O.3	1	noname	-0.3460
3	O3    -9.0551    -2.9456     2.4615	O.3	1	noname	-0.3934
4	C1    -7.5977    -1.0280     2.5295	C.3	1	noname	0.1075
5	C2    -5.4647    -0.8528     2.0503	C.3	1	noname	0.1775
6	C3    -7.2913     0.2822     1.8077	C.3	1	noname	0.0788
7	C4    -4.3308    -1.4110     1.3812	C.2	1	noname	-0.0448
8	C5    -3.2263    -0.6863     1.2274	C.2	1	noname	-0.0571
9	C6    -8.9025    -1.6155     1.9881	C.3	1	noname	0.0719
10	C7    -3.1725     0.6510     1.7311	C.3	1	noname	-0.0286
11	C8    -2.6536     0.6334     3.1703	C.3	1	noname	-0.0311
12	C9    -2.0923    -1.2444     0.5584	C.3	1	noname	-0.0437
13	C10    -2.5998     1.9707     3.6740	C.2	1	noname	-0.0837
14	C11    -2.1758     2.1978     4.9139	C.2	1	noname	-0.0821
15	C12    -2.1220     3.5351     5.4176	C.3	1	noname	-0.0442
16	C13    -1.7736     1.1046     5.7434	C.3	1	noname	-0.0442
17	H1    -7.5550    -0.8882     3.6097	H	1	noname	0.0653
18	H2    -5.2561    -0.5211     3.0674	H	1	noname	0.0971
19	H3    -7.9869     0.4115     0.9785	H	1	noname	0.0596
20	H4    -7.4218     1.0939     2.5234	H	1	noname	0.0596
21	H5    -4.3680    -2.3368     1.0325	H	1	noname	0.0628
22	H6    -9.7425    -1.0100     2.3286	H	1	noname	0.0591
23	H7    -8.8750    -1.6186     0.8984	H	1	noname	0.0591
24	H8    -4.1711     1.0875     1.7102	H	1	noname	0.0315
25	H9    -2.5027     1.2463     1.1106	H	1	noname	0.0315
26	H10    -3.3234     0.0381     3.7908	H	1	noname	0.0313
27	H11    -1.6550     0.1969     3.1912	H	1	noname	0.0313
28	H12    -1.8551    -0.6421    -0.3186	H	1	noname	0.0276
29	H13    -2.3193    -2.2644     0.2480	H	1	noname	0.0276
30	H14    -1.2384    -1.2523     1.2357	H	1	noname	0.0276
31	H15    -2.8783     2.7275     3.0997	H	1	noname	0.0575
32	H16    -9.8909    -3.3219     2.1147	H	1	noname	0.2101
33	H17    -3.0716     3.7831     5.8918	H	1	noname	0.0276
34	H18    -1.9351     4.2258     4.5953	H	1	noname	0.0276
35	H19    -1.3184     3.6156     6.1496	H	1	noname	0.0276
36	H20    -2.3998     1.0755     6.6351	H	1	noname	0.0276
37	H21    -1.8828     0.1707     5.1921	H	1	noname	0.0276
38	H22    -0.7314     1.2343     6.0355	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	4	1
2	1	5	1
3	2	5	1
4	2	6	1
5	3	9	1
6	3	32	1
7	4	6	1
8	4	9	1
9	4	17	1
10	5	7	1
11	5	18	1
12	6	19	1
13	6	20	1
14	7	8	2
15	7	21	1
16	8	10	1
17	8	12	1
18	9	22	1
19	9	23	1
20	10	11	1
21	10	24	1
22	10	25	1
23	11	13	1
24	11	26	1
25	11	27	1
26	12	28	1
27	12	29	1
28	12	30	1
29	13	14	2
30	13	31	1
31	14	15	1
32	14	16	1
33	15	33	1
34	15	34	1
35	15	35	1
36	16	36	1
37	16	37	1
38	16	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1