@<TRIPOS>MOLECULE
91810669
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     2.6247     1.4634     1.7097	F	1	noname	-0.1621
2	O1    -1.6507    -2.9058    -0.7646	O.3	1	noname	-0.1828
3	O2    -1.5039    -1.6924    -2.8524	O.2	1	noname	-0.2306
4	O3    -2.0485    -6.3687     2.5893	O.2	1	noname	-0.2978
5	O4     5.0210     5.2357    -1.0169	O.3	1	noname	-0.2148
6	O5     6.0338     3.2421    -0.7485	O.2	1	noname	-0.2506
7	N1    -0.9985    -0.8158    -0.6463	N.3	1	noname	-0.1097
8	N2    -2.1524    -4.3642     1.5872	N.3	1	noname	-0.0796
9	N3     3.8962     1.8228    -0.6779	N.3	1	noname	-0.1222
10	C1    -2.3643    -2.3315     0.3260	C.3	1	noname	0.0952
11	C2    -2.0155    -0.8456     0.3413	C.3	1	noname	0.0415
12	C3    -1.9028    -2.9773     1.6340	C.3	1	noname	0.0310
13	C4    -1.4008    -1.7916    -1.6106	C.2	1	noname	0.1338
14	C5     0.2143    -0.1278    -0.5999	C.2	1	noname	-0.0353
15	C6     0.8113     0.3482     0.6365	C.2	1	noname	0.0183
16	C7     0.9231     0.0865    -1.8451	C.2	1	noname	-0.0343
17	C8     2.7143     1.1917    -0.6563	C.2	1	noname	0.0205
18	C9     2.0765     1.0222     0.6154	C.2	1	noname	0.0172
19	C10     2.1859     0.7393    -1.8994	C.2	1	noname	-0.0430
20	C11    -1.8271    -5.1392     2.6308	C.2	1	noname	0.0363
21	C12    -1.2142    -4.5474     3.8164	C.3	1	noname	0.0095
22	C13     3.6867     3.2073    -0.8435	C.3	1	noname	0.0864
23	C14     4.9745     3.8949    -0.8670	C.2	1	noname	0.1423
24	H1    -3.4383    -2.5020     0.2511	H	1	noname	0.0637
25	H2    -2.8732    -0.2676    -0.0027	H	1	noname	0.0468
26	H3    -1.7116    -0.4363     1.3048	H	1	noname	0.0468
27	H4    -2.4489    -2.5378     2.4687	H	1	noname	0.0460
28	H5    -0.8348    -2.8047     1.7674	H	1	noname	0.0460
29	H6    -2.5597    -4.7574     0.7995	H	1	noname	0.1310
30	H7     0.3282     0.2021     1.5229	H	1	noname	0.0670
31	H8     0.5017    -0.2425    -2.7138	H	1	noname	0.0640
32	H9     2.6847     0.8757    -2.7787	H	1	noname	0.0640
33	H10     4.4292     1.4859    -1.4151	H	1	noname	0.1288
34	H11     3.0878     3.5858    -0.0151	H	1	noname	0.0540
35	H12     3.1624     3.3857    -1.7823	H	1	noname	0.0540
36	H13    -1.8492    -4.7301     4.6833	H	1	noname	0.0324
37	H14    -1.1006    -3.4734     3.6691	H	1	noname	0.0324
38	H15    -0.2351    -4.9969     3.9821	H	1	noname	0.0324
39	H16     5.7896     5.6529    -1.4592	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	18	1
2	2	10	1
3	2	13	1
4	3	13	2
5	4	20	2
6	5	23	1
7	5	39	1
8	6	23	2
9	7	11	1
10	7	13	1
11	7	14	1
12	8	12	1
13	8	20	1
14	8	29	1
15	9	17	1
16	9	22	1
17	9	33	1
18	10	11	1
19	10	12	1
20	10	24	1
21	11	25	1
22	11	26	1
23	12	27	1
24	12	28	1
25	14	15	2
26	14	16	1
27	15	18	1
28	15	30	1
29	16	19	2
30	16	31	1
31	17	18	2
32	17	19	1
33	19	32	1
34	20	21	1
35	21	36	1
36	21	37	1
37	21	38	1
38	22	23	1
39	22	34	1
40	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1