@<TRIPOS>MOLECULE
DB04797
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1    -6.7978     2.0565    -2.6213	F	1	noname	-0.1642
2	C1    -6.1936     1.1661    -1.8901	C.2	1	noname	0.0367
3	C2    -6.8110     0.6695    -0.7481	C.2	1	noname	0.0014
4	C3    -4.9306     0.7113    -2.2509	C.2	1	noname	0.0014
5	C4    -6.1655    -0.2818     0.0332	C.2	1	noname	-0.0106
6	C5    -4.2851    -0.2400    -1.4696	C.2	1	noname	-0.0106
7	C6    -4.9025    -0.7366    -0.3276	C.2	1	noname	-0.0300
8	C7    -4.2570    -1.6879     0.4537	C.2	1	noname	0.0771
9	N1    -4.8611    -2.6336     1.1841	N.2	1	noname	-0.1787
10	C8    -2.8648    -1.8120     0.6041	C.2	1	noname	0.0865
11	C9    -3.9040    -3.3537     1.7851	C.2	1	noname	0.0883
12	O1    -2.6922    -2.8773     1.4273	O.3	1	noname	-0.3472
13	C10    -1.8085    -0.9141     0.2258	C.2	1	noname	0.0044
14	C11    -0.4365    -1.3205     0.2608	C.2	1	noname	-0.0320
15	C12    -2.1321     0.4711     0.0182	C.2	1	noname	0.0403
16	N2     0.4986    -0.3043     0.2168	N.3	1	noname	-0.0882
17	C13    -1.1668     1.5032    -0.0180	C.2	1	noname	0.0297
18	C14     0.1478     1.0110     0.1085	C.2	1	noname	0.0235
19	C15     1.8308    -0.3543     0.2940	C.2	1	noname	-0.0211
20	N3     1.2497     1.7580     0.0762	N.2	1	noname	-0.1644
21	N4     2.2447     0.9329     0.1885	N.2	1	noname	-0.1774
22	C16     2.6643    -1.5418     0.4572	C.3	1	noname	0.0632
23	C17     3.4791    -1.4198     1.7464	C.3	1	noname	-0.0558
24	C18     3.6136    -1.6665    -0.7362	C.3	1	noname	-0.0558
25	H1    -7.8014     1.0261    -0.4651	H	1	noname	0.0653
26	H2    -4.4464     1.1007    -3.1465	H	1	noname	0.0653
27	H3    -6.6497    -0.6712     0.9288	H	1	noname	0.0630
28	H4    -3.2947    -0.5966    -1.7526	H	1	noname	0.0630
29	H5    -4.0826    -4.1928     2.4575	H	1	noname	0.1125
30	H6    -0.1170    -2.3610     0.3185	H	1	noname	0.0804
31	H7    -3.1749     0.7567    -0.1203	H	1	noname	0.0631
32	H8    -1.4090     2.5600    -0.1309	H	1	noname	0.0660
33	H9     1.9917    -2.3982     0.5058	H	1	noname	0.0377
34	H10     3.7163    -2.4152     2.1219	H	1	noname	0.0237
35	H11     4.4030    -0.8786     1.5425	H	1	noname	0.0237
36	H12     2.8983    -0.8786     2.4934	H	1	noname	0.0237
37	H13     3.7869    -2.7203    -0.9541	H	1	noname	0.0237
38	H14     3.1686    -1.1839    -1.6064	H	1	noname	0.0237
39	H15     4.5616    -1.1839    -0.4983	H	1	noname	0.0237
@<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	10	12	1
13	10	13	1
14	11	12	1
15	13	14	2
16	13	15	1
17	14	16	1
18	15	17	2
19	16	18	1
20	16	19	1
21	17	18	1
22	18	20	2
23	19	21	2
24	19	22	1
25	20	21	1
26	22	23	1
27	22	24	1
28	3	25	1
29	4	26	1
30	5	27	1
31	6	28	1
32	11	29	1
33	14	30	1
34	15	31	1
35	17	32	1
36	22	33	1
37	23	34	1
38	23	35	1
39	23	36	1
40	24	37	1
41	24	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1