@<TRIPOS>MOLECULE
91668157
38 44 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3718     1.9115    -1.4980	O.3	1	noname	-0.3592
2	O2     0.7552    -5.0029     0.3129	O.3	1	noname	-0.3592
3	C1    -0.4338     1.4483    -0.1393	C.3	1	noname	0.1146
4	C2     1.5181    -3.8874     0.7994	C.3	1	noname	0.1146
5	C3     0.5040     2.5532    -0.5709	C.3	1	noname	0.1145
6	C4     0.6803    -4.7538     1.7231	C.3	1	noname	0.1145
7	C5     0.1179     0.0772     0.0243	C.2	1	noname	-0.0211
8	C6     0.9789    -2.5349     0.4933	C.2	1	noname	-0.0211
9	C7     1.5003    -0.2441    -0.2160	C.2	1	noname	-0.0215
10	C8    -0.3861    -2.1843     0.7974	C.2	1	noname	-0.0215
11	C9     1.9417     2.1876    -0.7214	C.2	1	noname	-0.0264
12	C10    -0.7038    -4.3067     2.0493	C.2	1	noname	-0.0264
13	C11    -0.8173    -0.8624     0.4992	C.2	1	noname	-0.0252
14	C12     1.9111    -1.5988    -0.0194	C.2	1	noname	-0.0252
15	C13     2.4271     0.8186    -0.5792	C.2	1	noname	-0.0268
16	C14    -1.2660    -3.0947     1.4938	C.2	1	noname	-0.0268
17	C15     2.8240     3.2591    -1.0344	C.2	1	noname	-0.0435
18	C16    -1.4772    -5.1407     2.9090	C.2	1	noname	-0.0435
19	C17     3.8392     0.5629    -0.7798	C.2	1	noname	-0.0433
20	C18    -2.6596    -2.8157     1.7445	C.2	1	noname	-0.0433
21	C19     4.2006     2.9584    -1.2217	C.2	1	noname	-0.0564
22	C20    -2.8351    -4.8259     3.1671	C.2	1	noname	-0.0564
23	C21     4.7069     1.6365    -1.1007	C.2	1	noname	-0.0564
24	C22    -3.4181    -3.6900     2.5715	C.2	1	noname	-0.0564
25	H1    -1.3811     1.7617     0.3315	H	1	noname	0.0686
26	H2     2.5894    -4.1132     0.7289	H	1	noname	0.0686
27	H3     0.1739     3.5829    -0.3665	H	1	noname	0.0686
28	H4     1.2176    -5.5350     2.2830	H	1	noname	0.0686
29	H5    -1.7939    -0.5976     0.6280	H	1	noname	0.0633
30	H6     2.8628    -1.8881    -0.2452	H	1	noname	0.0633
31	H7     2.4788     4.2149    -1.1218	H	1	noname	0.0626
32	H8    -1.0537    -5.9634     3.3382	H	1	noname	0.0626
33	H9     4.2066    -0.3844    -0.6906	H	1	noname	0.0629
34	H10    -3.0994    -1.9940     1.3300	H	1	noname	0.0629
35	H11     4.8451     3.7154    -1.4500	H	1	noname	0.0622
36	H12    -3.3892    -5.4208     3.7831	H	1	noname	0.0622
37	H13     5.7008     1.4590    -1.2456	H	1	noname	0.0622
38	H14    -4.4047    -3.4904     2.7366	H	1	noname	0.0622
@<TRIPOS>BOND
1	3	1	1
2	5	1	1
3	4	2	1
4	6	2	1
5	3	5	1
6	3	7	1
7	3	25	1
8	4	6	1
9	4	8	1
10	4	26	1
11	5	11	1
12	5	27	1
13	6	12	1
14	6	28	1
15	7	9	2
16	7	13	1
17	8	10	1
18	8	14	2
19	9	14	1
20	9	15	1
21	10	13	2
22	10	16	1
23	11	15	1
24	11	17	2
25	12	16	1
26	12	18	2
27	13	29	1
28	14	30	1
29	15	19	2
30	16	20	2
31	17	21	1
32	17	31	1
33	18	22	1
34	18	32	1
35	19	23	1
36	19	33	1
37	20	24	1
38	20	34	1
39	21	23	2
40	21	35	1
41	22	24	2
42	22	36	1
43	23	37	1
44	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1