@<TRIPOS>MOLECULE
92168245
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0866    -1.4341    -0.6914	O.3	1	noname	-0.3815
2	C1     0.0145     0.2425     0.6515	C.3	1	noname	-0.0418
3	C2    -0.2854     1.1071    -0.5746	C.3	1	noname	-0.0471
4	C3     1.4770    -0.2054     0.6144	C.3	1	noname	-0.0270
5	C4    -1.7479     1.5551    -0.5375	C.3	1	noname	-0.0345
6	C5    -0.2378     1.0555     1.9229	C.3	1	noname	-0.0624
7	C6     1.7293    -1.0184    -0.6569	C.3	1	noname	0.0469
8	C7    -2.0281     2.3631    -1.6835	C.2	1	noname	-0.0839
9	C8    -3.2464     2.8665    -1.8605	C.2	1	noname	-0.0822
10	C9     3.3207    -2.1886    -1.8713	C.3	1	noname	0.0438
11	C10    -3.5267     3.6745    -3.0065	C.3	1	noname	-0.0442
12	C11    -4.2761     2.5995    -0.9047	C.3	1	noname	-0.0442
13	C12     4.7832    -2.6366    -1.9084	C.3	1	noname	-0.0416
14	H1    -0.6341    -0.6335     0.6458	H	1	noname	0.0301
15	H2    -0.1057     0.5279    -1.4804	H	1	noname	0.0272
16	H3     0.3632     1.9832    -0.5689	H	1	noname	0.0272
17	H4     1.6906    -0.8213     1.4880	H	1	noname	0.0293
18	H5     2.1255     0.6707     0.6202	H	1	noname	0.0293
19	H6    -2.3964     0.6790    -0.5433	H	1	noname	0.0310
20	H7    -1.9276     2.1342     0.3682	H	1	noname	0.0310
21	H8    -0.0242     0.4396     2.7964	H	1	noname	0.0233
22	H9    -1.2797     1.3746     1.9493	H	1	noname	0.0233
23	H10     0.4108     1.9316     1.9286	H	1	noname	0.0233
24	H11     1.0807    -1.8944    -0.6627	H	1	noname	0.0566
25	H12     1.5156    -0.4024    -1.5305	H	1	noname	0.0566
26	H13    -1.3153     2.5479    -2.3452	H	1	noname	0.0575
27	H14     2.6722    -3.0647    -1.8770	H	1	noname	0.0563
28	H15     3.1071    -1.5727    -2.7448	H	1	noname	0.0563
29	H16    -3.8686     3.0397    -3.8239	H	1	noname	0.0276
30	H17    -4.3032     4.3985    -2.7595	H	1	noname	0.0276
31	H18    -2.6219     4.2014    -3.3096	H	1	noname	0.0276
32	H19    -5.1020     2.0840    -1.3948	H	1	noname	0.0276
33	H20    -4.6332     3.5392    -0.4834	H	1	noname	0.0276
34	H21    -3.8779     1.9719    -0.1074	H	1	noname	0.0276
35	H22     4.9630    -3.2158    -2.8141	H	1	noname	0.0254
36	H23     4.9969    -3.2525    -1.0349	H	1	noname	0.0254
37	H24     5.4318    -1.7605    -1.9027	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	3	1
4	2	4	1
5	2	6	1
6	2	14	1
7	3	5	1
8	3	15	1
9	3	16	1
10	4	7	1
11	4	17	1
12	4	18	1
13	5	8	1
14	5	19	1
15	5	20	1
16	6	21	1
17	6	22	1
18	6	23	1
19	7	24	1
20	7	25	1
21	8	9	2
22	8	26	1
23	9	11	1
24	9	12	1
25	10	13	1
26	10	27	1
27	10	28	1
28	11	29	1
29	11	30	1
30	11	31	1
31	12	32	1
32	12	33	1
33	12	34	1
34	13	35	1
35	13	36	1
36	13	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1