@<TRIPOS>MOLECULE
92470347
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.0921     3.4402    -0.8699	O.2	1	noname	-0.3053
2	C1     1.1770    -2.5572    -1.6778	C.3	1	noname	-0.0379
3	C2     1.6972    -0.1619    -0.3956	C.3	1	noname	-0.0437
4	C3     1.9360    -1.7284    -0.5174	C.3	1	noname	-0.0458
5	C4     0.1857     0.1409    -0.1257	C.3	1	noname	-0.0500
6	C5    -0.3623     1.5976    -0.1029	C.3	1	noname	-0.0438
7	C6     2.5513     0.5281     0.6840	C.3	1	noname	-0.0625
8	C7     1.7290    -4.0266    -1.6351	C.3	1	noname	-0.0602
9	C8     1.5500    -1.9244    -3.0591	C.3	1	noname	-0.0602
10	C9    -0.4131    -2.7775    -1.5637	C.3	1	noname	-0.0602
11	C10    -1.9192     1.6179     0.0699	C.3	1	noname	0.0117
12	C11    -2.4735     1.0432     1.4003	C.3	1	noname	-0.0558
13	C12    -2.2991     3.0275     0.0002	C.2	1	noname	0.1249
14	H1     1.9512     0.3302    -1.3400	H	1	noname	0.0300
15	H2     1.7551    -2.1698     0.4646	H	1	noname	0.0274
16	H3     3.0199    -1.8253    -0.6566	H	1	noname	0.0274
17	H4    -0.3231    -0.1865    -1.0113	H	1	noname	0.0269
18	H5    -0.1371    -0.4339     0.7600	H	1	noname	0.0269
19	H6    -0.1007     2.0101    -1.0727	H	1	noname	0.0274
20	H7     0.1445     2.2119     0.6489	H	1	noname	0.0274
21	H8     2.3869     1.6044     0.6834	H	1	noname	0.0233
22	H9     2.2938     0.1371     1.6671	H	1	noname	0.0233
23	H10     3.6063     0.3569     0.4898	H	1	noname	0.0233
24	H11     1.2783    -4.6792    -2.3948	H	1	noname	0.0236
25	H12     1.0827    -2.4601    -3.8911	H	1	noname	0.0236
26	H13     1.2134    -0.8915    -3.1204	H	1	noname	0.0236
27	H14     2.6374    -1.9212    -3.2284	H	1	noname	0.0236
28	H15    -0.7642    -3.5199    -2.2786	H	1	noname	0.0236
29	H16    -1.0455    -1.9155    -1.7636	H	1	noname	0.0236
30	H17    -0.6318    -3.1739    -0.5722	H	1	noname	0.0236
31	H18     1.5588    -4.4500    -0.6452	H	1	noname	0.0236
32	H19     2.8096    -3.9898    -1.7728	H	1	noname	0.0236
33	H20    -2.3877     1.0611    -0.7327	H	1	noname	0.0376
34	H21    -3.5613     1.1125     1.4008	H	1	noname	0.0237
35	H22    -2.1760    -0.0010     1.4969	H	1	noname	0.0237
36	H23    -2.0726     1.6142     2.2377	H	1	noname	0.0237
37	H24    -1.8658     3.6960     0.6270	H	1	noname	0.1044
@<TRIPOS>BOND
1	1	13	2
2	2	4	1
3	2	8	1
4	2	9	1
5	2	10	1
6	3	4	1
7	3	5	1
8	3	7	1
9	3	14	1
10	4	15	1
11	4	16	1
12	5	6	1
13	5	17	1
14	5	18	1
15	6	11	1
16	6	19	1
17	6	20	1
18	7	21	1
19	7	22	1
20	7	23	1
21	8	24	1
22	8	31	1
23	8	32	1
24	9	25	1
25	9	26	1
26	9	27	1
27	10	28	1
28	10	29	1
29	10	30	1
30	11	12	1
31	11	13	1
32	11	33	1
33	12	34	1
34	12	35	1
35	12	36	1
36	13	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1