@<TRIPOS>MOLECULE
DB04480
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     4.9477    -4.7313     0.0185	F	1	noname	-0.1648
2	C1     4.2510    -3.6325     0.0163	C.2	1	noname	0.0311
3	C2     2.8230    -3.7352     0.0084	C.2	1	noname	-0.0020
4	C3     4.9525    -2.3855     0.0218	C.2	1	noname	-0.0020
5	C4     2.0895    -2.5210     0.0061	C.2	1	noname	-0.0218
6	C5     4.1634    -1.1986     0.0192	C.2	1	noname	-0.0218
7	C6     2.7323    -1.2297     0.0114	C.2	1	noname	-0.0396
8	C7     1.8985    -0.0472     0.0085	C.2	1	noname	0.0259
9	C8     2.1749     1.3632     0.0120	C.2	1	noname	0.0534
10	C9     0.4777    -0.0587     0.0008	C.2	1	noname	-0.0643
11	N1     0.9809     2.0026     0.0064	N.2	1	noname	-0.2940
12	C10     3.3480     2.2177     0.0196	C.2	1	noname	0.0243
13	N2     0.0082     1.1622    -0.0000	N.3	1	noname	-0.0300
14	C11    -0.6373    -1.0278    -0.0066	C.3	1	noname	0.0275
15	N3     3.1692     3.6045     0.0205	N.2	1	noname	-0.2398
16	C12     4.6911     1.7521     0.0262	C.2	1	noname	-0.0138
17	C13    -1.3987     1.3109    -0.0074	C.3	1	noname	-0.0305
18	C14    -1.8941    -0.1415    -0.0122	C.3	1	noname	-0.0300
19	C15     4.1643     4.5645     0.0273	C.2	1	noname	0.0043
20	C16     5.7618     2.6857     0.0333	C.2	1	noname	-0.0377
21	C17     5.5034     4.0819     0.0338	C.2	1	noname	-0.0291
22	C18     3.8589     5.9922     0.0276	C.3	1	noname	0.0318
23	H1     2.3145    -4.6993     0.0043	H	1	noname	0.0653
24	H2     6.0416    -2.3416     0.0278	H	1	noname	0.0653
25	H3     1.0012    -2.5821     0.0001	H	1	noname	0.0630
26	H4     4.6716    -0.2343     0.0233	H	1	noname	0.0630
27	H5    -0.5906    -1.5699    -0.9511	H	1	noname	0.0330
28	H6    -0.6009    -1.5725     0.9368	H	1	noname	0.0330
29	H7     4.8994     0.6822     0.0258	H	1	noname	0.0646
30	H8    -1.6734     1.7832     0.9357	H	1	noname	0.0490
31	H9    -1.6632     1.7858    -0.9522	H	1	noname	0.0490
32	H10    -2.4075    -0.3078    -0.9592	H	1	noname	0.0287
33	H11    -2.4178    -0.3104     0.9288	H	1	noname	0.0287
34	H12     6.7912     2.3275     0.0384	H	1	noname	0.0624
35	H13     6.3358     4.7856     0.0393	H	1	noname	0.0641
36	H14     3.7829     6.3473     1.0554	H	1	noname	0.0295
37	H15     4.6531     6.5338    -0.4861	H	1	noname	0.0295
38	H16     2.9125     6.1614    -0.4861	H	1	noname	0.0295
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	2
11	9	11	2
12	9	12	1
13	10	13	1
14	10	14	1
15	11	13	1
16	12	15	2
17	12	16	1
18	13	17	1
19	14	18	1
20	15	19	1
21	16	20	2
22	17	18	1
23	19	21	2
24	19	22	1
25	20	21	1
26	3	23	1
27	4	24	1
28	5	25	1
29	6	26	1
30	14	27	1
31	14	28	1
32	16	29	1
33	17	30	1
34	17	31	1
35	18	32	1
36	18	33	1
37	20	34	1
38	21	35	1
39	22	36	1
40	22	37	1
41	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1