@<TRIPOS>MOLECULE
DB04716
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     3.4294     1.3989     0.1561	F	1	noname	-0.1641
2	C1     2.1316     1.3324     0.0931	C.2	1	noname	0.0347
3	C2     1.4781     0.0729     0.1725	C.2	1	noname	0.0201
4	C3     1.3647     2.5175    -0.0552	C.2	1	noname	0.0037
5	C4     0.0380    -0.0137     0.0874	C.2	1	noname	0.0173
6	C5    -0.0642     2.4934    -0.1232	C.2	1	noname	-0.0091
7	C6    -0.6565    -1.2733     0.0667	C.2	1	noname	0.0188
8	C7    -0.7211     1.2227    -0.0387	C.2	1	noname	0.0082
9	C8     0.0263    -2.5357     0.0674	C.2	1	noname	0.0378
10	C9    -2.1053    -1.3064    -0.0253	C.2	1	noname	0.0177
11	C10    -2.1363     1.1441    -0.1114	C.2	1	noname	0.0196
12	O1     1.2678    -2.5918     0.2014	O.2	1	noname	-0.2914
13	N1    -0.7136    -3.6749    -0.0821	N.3	1	noname	0.0064
14	C11    -2.8009    -0.0723    -0.0807	C.2	1	noname	-0.0458
15	C12    -2.8380    -2.5242    -0.1310	C.2	1	noname	-0.0237
16	N2    -3.0560     2.1255    -0.2565	N.2	1	noname	-0.2404
17	C13    -2.0701    -3.7240    -0.1843	C.2	1	noname	-0.0856
18	N3    -4.1223     0.1983    -0.1638	N.3	1	noname	-0.0239
19	C14    -4.2668     1.5374    -0.2828	C.2	1	noname	-0.0393
20	C15    -5.5404     2.2381    -0.4191	C.3	1	noname	0.0584
21	C16    -6.2584     1.7506    -1.6792	C.3	1	noname	-0.0533
22	C17    -6.4119     1.9550     0.8062	C.3	1	noname	-0.0533
23	C18    -5.2857     3.7429    -0.5271	C.3	1	noname	-0.0533
24	H1     2.0812    -0.8262     0.2987	H	1	noname	0.0660
25	H2     1.8873     3.4720    -0.1185	H	1	noname	0.0653
26	H3    -0.6350     3.4151    -0.2359	H	1	noname	0.0630
27	H4    -0.2167    -4.5534    -0.1201	H	1	noname	0.1368
28	H5    -3.9273    -2.5372    -0.1690	H	1	noname	0.0640
29	H6    -2.5318    -4.7037    -0.3064	H	1	noname	0.0754
30	H7    -4.8699    -0.4804    -0.1410	H	1	noname	0.1540
31	H8    -6.2668     0.6608    -1.6939	H	1	noname	0.0240
32	H9    -7.2832     2.1219    -1.6800	H	1	noname	0.0240
33	H10    -5.7367     2.1219    -2.5612	H	1	noname	0.0240
34	H11    -6.5086     0.8779     0.9423	H	1	noname	0.0240
35	H12    -5.9486     2.3928     1.6905	H	1	noname	0.0240
36	H13    -7.3992     2.3928     0.6589	H	1	noname	0.0240
37	H14    -5.2131     4.1717     0.4723	H	1	noname	0.0240
38	H15    -4.3537     3.9159    -1.0653	H	1	noname	0.0240
39	H16    -6.1087     4.2130    -1.0653	H	1	noname	0.0240
@<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	5	8	1
8	6	8	1
9	7	9	1
10	7	10	1
11	8	11	2
12	9	12	2
13	9	13	1
14	10	14	2
15	10	15	1
16	11	16	1
17	11	14	1
18	13	17	1
19	14	18	1
20	15	17	2
21	16	19	2
22	18	19	1
23	19	20	1
24	20	21	1
25	20	22	1
26	20	23	1
27	3	24	1
28	4	25	1
29	6	26	1
30	13	27	1
31	15	28	1
32	17	29	1
33	18	30	1
34	21	31	1
35	21	32	1
36	21	33	1
37	22	34	1
38	22	35	1
39	22	36	1
40	23	37	1
41	23	38	1
42	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1