@<TRIPOS>MOLECULE
71720024
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4045     1.6286    -2.8468	O.3	1	noname	-0.3956
2	O2    -0.5643    -4.2517     1.2125	O.2	1	noname	-0.3056
3	C1     1.2127     0.9288    -1.1829	C.3	1	noname	0.0007
4	C2     0.2636     1.0112     0.0418	C.3	1	noname	-0.0260
5	C3     1.3223    -0.1201    -0.0322	C.3	1	noname	-0.0113
6	C4     0.3944     2.2505     0.9701	C.3	1	noname	-0.0455
7	C5     0.5434     0.6162    -2.5421	C.3	1	noname	0.0494
8	C6     2.5689     1.6367    -1.3173	C.3	1	noname	-0.0566
9	C7     0.7218    -1.4307    -0.1459	C.2	1	noname	-0.0412
10	C8    -0.1947     2.0431     2.3834	C.3	1	noname	-0.0320
11	C9     0.6693    -2.4069     0.7800	C.2	1	noname	0.0189
12	C10     0.4200     0.9147     3.0420	C.2	1	noname	-0.0800
13	C11     1.1872    -2.4456     2.1588	C.3	1	noname	-0.0215
14	C12     0.6203    -1.5090     3.2675	C.3	1	noname	-0.0306
15	C13     0.0020    -0.3112     2.7410	C.2	1	noname	-0.0824
16	C14     0.0354    -3.5407     0.3774	C.2	1	noname	0.0897
17	C15     1.4612     1.1123     4.0022	C.3	1	noname	-0.0439
18	H1    -0.7727     0.6466    -0.1122	H	1	noname	0.0315
19	H2     2.1068    -0.0320     0.7249	H	1	noname	0.0355
20	H3    -0.0843     3.1092     0.4993	H	1	noname	0.0273
21	H4     1.4614     2.4569     1.0540	H	1	noname	0.0273
22	H5     0.0393    -0.3485    -2.4855	H	1	noname	0.0569
23	H6     1.3037     0.5836    -3.3225	H	1	noname	0.0569
24	H7     3.0105     1.3954    -2.2842	H	1	noname	0.0237
25	H8     2.4250     2.7146    -1.2424	H	1	noname	0.0237
26	H9     3.2336     1.3027    -0.5207	H	1	noname	0.0237
27	H10     0.2951    -1.6364    -1.0152	H	1	noname	0.0583
28	H11    -1.2696     1.8786     2.3085	H	1	noname	0.0312
29	H12     0.0179     2.9658     2.9233	H	1	noname	0.0312
30	H13    -0.8285     1.4306    -3.7078	H	1	noname	0.2100
31	H14     1.1879    -3.4747     2.5179	H	1	noname	0.0320
32	H15     2.2046    -2.0691     2.0520	H	1	noname	0.0320
33	H16    -0.1039    -2.0567     3.8705	H	1	noname	0.0313
34	H17     1.4442    -1.2394     3.9282	H	1	noname	0.0313
35	H18    -0.7689    -0.4091     2.1275	H	1	noname	0.0575
36	H19     0.0494    -3.8110    -0.6061	H	1	noname	0.1094
37	H20     1.0852     1.7185     4.8263	H	1	noname	0.0276
38	H21     1.7922     0.1462     4.3832	H	1	noname	0.0276
39	H22     2.2999     1.6229     3.5288	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	7	1
2	1	30	1
3	2	16	2
4	3	4	1
5	3	5	1
6	3	7	1
7	3	8	1
8	4	5	1
9	4	6	1
10	4	18	1
11	5	9	1
12	5	19	1
13	6	10	1
14	6	20	1
15	6	21	1
16	7	22	1
17	7	23	1
18	8	24	1
19	8	25	1
20	8	26	1
21	9	11	2
22	9	27	1
23	10	12	1
24	10	28	1
25	10	29	1
26	11	13	1
27	11	16	1
28	12	15	2
29	12	17	1
30	13	14	1
31	13	31	1
32	13	32	1
33	14	15	1
34	14	33	1
35	14	34	1
36	15	35	1
37	16	36	1
38	17	37	1
39	17	38	1
40	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1