@<TRIPOS>MOLECULE
91617722
38 44 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4041     1.9958    -1.3673	O.3	1	noname	-0.3592
2	O2     1.5616    -4.0626     1.9091	O.3	1	noname	-0.3592
3	C1    -0.4477     1.4476    -0.0504	C.3	1	noname	0.1146
4	C2     1.4119    -3.9793     0.4811	C.3	1	noname	0.1146
5	C3     0.5629     2.4979    -0.4343	C.3	1	noname	0.1145
6	C4     0.5913    -4.9330     1.3225	C.3	1	noname	0.1145
7	C5     0.0125     0.0447     0.0015	C.2	1	noname	-0.0211
8	C6     0.8446    -2.6365     0.2188	C.2	1	noname	-0.0211
9	C7     1.3557    -0.3278    -0.3744	C.2	1	noname	-0.0215
10	C8    -0.4729    -2.2577     0.6402	C.2	1	noname	-0.0215
11	C9     1.9649     2.0740    -0.7156	C.2	1	noname	-0.0264
12	C10    -0.8205    -4.5430     1.6135	C.2	1	noname	-0.0264
13	C11    -0.8969    -0.8966     0.4789	C.2	1	noname	-0.0252
14	C12     1.7265    -1.7011    -0.3194	C.2	1	noname	-0.0252
15	C13     2.3472     0.6745    -0.7073	C.2	1	noname	-0.0268
16	C14    -1.3166    -3.2239     1.2912	C.2	1	noname	-0.0268
17	C15     2.9180     3.1030    -0.9805	C.2	1	noname	-0.0435
18	C16    -1.6699    -5.5270     2.1984	C.2	1	noname	-0.0435
19	C17     3.7323     0.3526    -0.9825	C.2	1	noname	-0.0433
20	C18    -2.6816    -2.8952     1.6348	C.2	1	noname	-0.0433
21	C19     4.2687     2.7355    -1.2418	C.2	1	noname	-0.0564
22	C20    -3.0167    -5.1672     2.4723	C.2	1	noname	-0.0564
23	C21     4.6768     1.3748    -1.2445	C.2	1	noname	-0.0564
24	C22    -3.5195    -3.8590     2.2083	C.2	1	noname	-0.0564
25	H1    -1.3211     1.7922     0.5221	H	1	noname	0.0686
26	H2     2.3731    -4.2945     0.0481	H	1	noname	0.0686
27	H3     0.3336     3.5279    -0.1408	H	1	noname	0.0686
28	H4     0.9014    -5.9712     1.4125	H	1	noname	0.0686
29	H5    -1.8514    -0.6218     0.7107	H	1	noname	0.0633
30	H6     2.6354    -1.9999    -0.6730	H	1	noname	0.0633
31	H7     2.6367     4.0834    -0.9827	H	1	noname	0.0626
32	H8    -1.3214    -6.4611     2.4138	H	1	noname	0.0626
33	H9     4.0313    -0.6226    -0.9876	H	1	noname	0.0629
34	H10    -3.0365    -1.9553     1.4583	H	1	noname	0.0629
35	H11     4.9571     3.4640    -1.4307	H	1	noname	0.0622
36	H12    -3.6437    -5.8664     2.8702	H	1	noname	0.0622
37	H13     5.6495     1.1342    -1.4351	H	1	noname	0.0622
38	H14    -4.4860    -3.6264     2.4366	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