@<TRIPOS>MOLECULE
71587683
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.5165    -0.8257    -0.4036	S	1	noname	-0.0651
2	F1    -3.3938     2.0386    -0.4561	F	1	noname	-0.1342
3	F2    -3.1935    -2.0405    -2.9585	F	1	noname	-0.1342
4	F3    -4.3693    -0.8174    -5.0214	F	1	noname	-0.1343
5	F4    -4.5767     3.2429    -2.5367	F	1	noname	-0.1343
6	F5    -5.0778     1.8287    -4.8351	F	1	noname	-0.1296
7	O1    -0.9611    -0.5435    -0.7166	O.2	1	noname	-0.1890
8	O2    -2.7855    -2.4076    -0.3176	O.2	1	noname	-0.1890
9	O3     0.6640    -1.1266     5.2562	O.3	1	noname	-0.2735
10	O4    -3.0658     0.9889     7.3671	O.2	1	noname	-0.2759
11	N1    -2.8507    -0.1847     1.1327	N.3	1	noname	0.0813
12	N2    -1.6940     0.3700     5.6967	N.3	1	noname	-0.1277
13	N3    -4.0760     0.1073     5.5924	N.3	1	noname	-0.0686
14	C1    -3.3864    -0.0341    -1.6659	C.2	1	noname	0.1298
15	C2    -2.0118    -0.4326     2.1297	C.2	1	noname	-0.0278
16	C3    -2.2354     0.2351     3.3386	C.2	1	noname	-0.0106
17	C4    -1.3859    -0.0497     4.4393	C.2	1	noname	0.0088
18	C5    -3.6924     1.3372    -1.5333	C.2	1	noname	0.1509
19	C6    -3.5888    -0.7874    -2.8404	C.2	1	noname	0.1509
20	C7    -0.9074    -1.3102     1.9929	C.2	1	noname	-0.0359
21	C8    -0.2160    -0.8430     4.2524	C.2	1	noname	0.0091
22	C9     0.0313    -1.4408     3.0065	C.2	1	noname	-0.0211
23	C10    -4.1670    -0.1285    -3.9304	C.2	1	noname	0.1401
24	C11    -4.2723     1.9748    -2.6383	C.2	1	noname	0.1401
25	C12    -4.5091     1.2401    -3.8246	C.2	1	noname	0.1606
26	C13    -2.9462     0.4947     6.2272	C.2	1	noname	0.0354
27	C14     1.6679    -0.1234     5.3030	C.3	1	noname	0.0424
28	H1    -3.0270     0.8947     3.4239	H	1	noname	0.0657
29	H2    -0.7431    -1.8547     1.1423	H	1	noname	0.0640
30	H3     0.8915    -1.9492     2.8158	H	1	noname	0.0651
31	H4    -0.9348     0.5396     6.2685	H	1	noname	0.1385
32	H5     2.3708    -0.3499     6.1047	H	1	noname	0.0535
33	H6     1.2048     0.8456     5.4887	H	1	noname	0.0535
34	H7     2.1988    -0.0960     4.3514	H	1	noname	0.0535
35	H8    -4.0323    -0.2818     4.6932	H	1	noname	0.1285
36	H9    -4.9352     0.2150     6.0295	H	1	noname	0.1285
37	H10    -3.7502    -0.4326     1.3978	H	1	noname	0.1506
@<TRIPOS>BOND
1	1	7	2
2	1	8	2
3	1	11	1
4	1	14	1
5	2	18	1
6	3	19	1
7	4	23	1
8	5	24	1
9	6	25	1
10	9	21	1
11	9	27	1
12	10	26	2
13	11	15	1
14	11	37	1
15	12	17	1
16	12	26	1
17	12	31	1
18	13	26	1
19	13	35	1
20	13	36	1
21	14	18	2
22	14	19	1
23	15	16	2
24	15	20	1
25	16	17	1
26	16	28	1
27	17	21	2
28	18	24	1
29	19	23	2
30	20	22	2
31	20	29	1
32	21	22	1
33	22	30	1
34	23	25	1
35	24	25	2
36	27	32	1
37	27	33	1
38	27	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1