@<TRIPOS>MOLECULE
71413771
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4235     3.7647     0.0810	O.3	1	noname	-0.2869
2	C1     0.8325    -1.7939     0.0556	C.3	1	noname	0.0179
3	C2     0.7160    -2.3010     1.4944	C.3	1	noname	-0.0350
4	C3    -0.4311    -2.1689    -0.7212	C.3	1	noname	-0.0438
5	C4     0.9869    -0.3421     0.0622	C.2	1	noname	-0.0660
6	C5     2.0510    -2.4333    -0.6134	C.3	1	noname	-0.0553
7	C6     1.9797    -1.9260     2.2712	C.3	1	noname	-0.0527
8	C7    -0.5024    -1.6617     2.1634	C.3	1	noname	-0.0617
9	C8    -0.5928    -3.6903    -0.7282	C.3	1	noname	-0.0553
10	C9     1.8632    -2.4331     3.7100	C.3	1	noname	-0.0651
11	C10     2.2562     0.2216     0.1174	C.2	1	noname	-0.0514
12	C11    -0.1355     0.4764     0.0134	C.2	1	noname	-0.0514
13	C12    -1.8565    -4.0653    -1.5050	C.3	1	noname	-0.0653
14	C13     2.4032     1.6038     0.1237	C.2	1	noname	-0.0329
15	C14     0.0114     1.8585     0.0198	C.2	1	noname	-0.0329
16	C15     1.2807     2.4223     0.0749	C.2	1	noname	-0.0076
17	H1     0.6008    -3.3849     1.4894	H	1	noname	0.0309
18	H2    -1.2992    -1.7134    -0.2446	H	1	noname	0.0275
19	H3    -0.3481    -1.8077    -1.7463	H	1	noname	0.0275
20	H4     2.1340    -2.0720    -1.6384	H	1	noname	0.0239
21	H5     1.9358    -3.5171    -0.6183	H	1	noname	0.0239
22	H6     2.9513    -2.1661    -0.0600	H	1	noname	0.0239
23	H7     2.8477    -2.3815     1.7946	H	1	noname	0.0267
24	H8     2.0949    -0.8421     2.2762	H	1	noname	0.0267
25	H9    -0.5854    -2.0229     3.1884	H	1	noname	0.0233
26	H10    -1.4027    -1.9288     1.6100	H	1	noname	0.0233
27	H11    -0.3872    -0.5778     2.1683	H	1	noname	0.0233
28	H12    -0.6759    -4.0516     0.2969	H	1	noname	0.0264
29	H13     0.2752    -4.1458    -1.2048	H	1	noname	0.0264
30	H14     2.7634    -2.1659     4.2634	H	1	noname	0.0230
31	H15     1.7480    -3.5170     3.7051	H	1	noname	0.0230
32	H16     0.9951    -1.9776     4.1866	H	1	noname	0.0230
33	H17     3.0799    -0.3790     0.1532	H	1	noname	0.0626
34	H18    -1.0670     0.0627    -0.0270	H	1	noname	0.0626
35	H19    -1.9717    -5.1492    -1.5100	H	1	noname	0.0230
36	H20    -2.7246    -3.6098    -1.0284	H	1	noname	0.0230
37	H21    -1.7735    -3.7041    -2.5300	H	1	noname	0.0230
38	H22     3.3346     2.0175     0.1641	H	1	noname	0.0650
39	H23    -0.8123     2.4591    -0.0160	H	1	noname	0.0650
40	H24     2.3759     3.9918     0.1224	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	16	1
2	1	40	1
3	2	3	1
4	2	4	1
5	2	5	1
6	2	6	1
7	3	7	1
8	3	8	1
9	3	17	1
10	4	9	1
11	4	18	1
12	4	19	1
13	5	11	2
14	5	12	1
15	6	20	1
16	6	21	1
17	6	22	1
18	7	10	1
19	7	23	1
20	7	24	1
21	8	25	1
22	8	26	1
23	8	27	1
24	9	13	1
25	9	28	1
26	9	29	1
27	10	30	1
28	10	31	1
29	10	32	1
30	11	14	1
31	11	33	1
32	12	15	2
33	12	34	1
34	13	35	1
35	13	36	1
36	13	37	1
37	14	16	2
38	14	38	1
39	15	16	1
40	15	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1