@<TRIPOS>MOLECULE
DB02658
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1    -1.5761    -3.2272     0.1233	F	1	noname	-0.2387
2	C1    -1.6081    -2.3212    -0.9130	C.3	1	noname	0.1795
3	C2    -2.0729    -0.8996    -0.4101	C.3	1	noname	0.1976
4	C3    -2.5423    -2.9053    -2.0326	C.3	1	noname	0.1188
5	O1    -2.8504    -0.1493    -1.3910	O.3	1	noname	-0.3406
6	O2    -1.0101    -0.0196     0.0811	O.3	1	noname	-0.2316
7	O3    -1.8614    -3.9327    -2.7290	O.3	1	noname	-0.3870
8	C4    -2.9453    -1.9188    -3.1705	C.3	1	noname	0.1115
9	C5    -2.7733    -0.4395    -2.8270	C.3	1	noname	0.1124
10	C6    -1.4545     1.0675     0.8389	C.2	1	noname	0.1126
11	O4    -4.2627    -2.0568    -3.6742	O.3	1	noname	-0.3874
12	C7    -1.4973    -0.0697    -3.5782	C.3	1	noname	0.0722
13	C8    -1.7696     2.3504     0.2465	C.2	1	noname	0.0885
14	C9    -1.5778     0.8846     2.2574	C.2	1	noname	0.0258
15	O5    -0.3957    -0.7621    -3.0094	O.3	1	noname	-0.3934
16	N1    -1.6232     2.7759    -0.9953	N.2	1	noname	-0.0012
17	C10    -2.3643     3.3734     1.0286	C.2	1	noname	0.1175
18	C11    -2.1640     1.9280     3.0336	C.2	1	noname	0.0677
19	O6    -1.3291     2.2396    -1.9809	O.2	1	noname	-0.1417
20	O7    -1.8481     4.0126    -1.1380	O.3	1	noname	-0.1417
21	C12    -2.5825     3.1327     2.3969	C.2	1	noname	0.0489
22	N2    -3.2127     4.1276     3.0340	N.2	1	noname	-0.0149
23	O8    -3.4458     4.0355     4.1717	O.2	1	noname	-0.1447
24	O9    -3.5552     5.1676     2.4004	O.3	1	noname	-0.1447
25	H1    -0.5672    -2.2690    -1.2324	H	1	noname	0.0744
26	H2    -2.7212    -1.0798     0.4474	H	1	noname	0.0959
27	H3    -3.4183    -3.2979    -1.5162	H	1	noname	0.0661
28	H4    -1.4615    -4.5360    -2.0983	H	1	noname	0.2107
29	H5    -2.3120    -2.2216    -4.0044	H	1	noname	0.0657
30	H6    -3.5979     0.2185    -3.1012	H	1	noname	0.0657
31	H7    -4.8801    -2.1214    -2.9419	H	1	noname	0.2106
32	H8    -1.5846    -0.4474    -4.5969	H	1	noname	0.0591
33	H9    -1.2983     0.9878    -3.4042	H	1	noname	0.0591
34	H10    -1.2322    -0.0311     2.7371	H	1	noname	0.0651
35	H11    -0.4544    -0.7252    -2.0519	H	1	noname	0.2101
36	H12    -2.6486     4.3279     0.5859	H	1	noname	0.0672
37	H13    -2.2917     1.8052     4.1091	H	1	noname	0.0648
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	6	10	1
10	8	11	1
11	8	9	1
12	9	12	1
13	10	13	2
14	10	14	1
15	12	15	1
16	13	16	1
17	13	17	1
18	14	18	2
19	16	19	2
20	16	20	1
21	17	21	2
22	18	21	1
23	21	22	1
24	22	23	2
25	22	24	1
26	2	25	1
27	3	26	1
28	4	27	1
29	7	28	1
30	8	29	1
31	9	30	1
32	11	31	1
33	12	32	1
34	12	33	1
35	14	34	1
36	15	35	1
37	17	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1