@<TRIPOS>MOLECULE
DB07017
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.9859     0.4548    -0.4070	S.3	1	noname	-0.0628
2	C1     0.6988    -1.0573     0.3688	C.2	1	noname	-0.0092
3	C2     2.6637     0.1410    -1.0858	C.3	1	noname	0.1290
4	N1     1.7398    -1.7845     0.1720	N.2	1	noname	-0.1419
5	N2    -0.3768    -1.4002     1.0332	N.3	1	noname	-0.1027
6	C3     2.8526    -1.3137    -0.5643	C.2	1	noname	0.1782
7	C4     3.6725     1.0639    -0.3992	C.3	1	noname	0.0830
8	C5     2.7572     0.1763    -2.6125	C.3	1	noname	-0.0381
9	C6    -0.2218    -1.0517     2.3907	C.3	1	noname	0.0356
10	O1     3.8797    -1.9944    -0.7740	O.2	1	noname	-0.2483
11	O2     3.3123     2.4172    -0.6343	O.3	1	noname	-0.3883
12	C7     3.6719     0.7902     1.1061	C.3	1	noname	-0.0344
13	C8     5.0699     0.8025    -0.9646	C.3	1	noname	-0.0344
14	C9     0.9904    -1.7838     2.9699	C.2	1	noname	-0.0499
15	C10    -1.4206    -1.4339     3.1312	C.3	1	noname	-0.0451
16	C11     2.0554    -1.0594     3.4924	C.2	1	noname	-0.0358
17	C12     1.0267    -3.1733     2.9736	C.2	1	noname	-0.0358
18	C13     3.1568    -1.7244     4.0186	C.2	1	noname	-0.0059
19	C14     2.1280    -3.8384     3.4998	C.2	1	noname	-0.0059
20	C15     3.1930    -3.1140     4.0223	C.2	1	noname	0.0232
21	F1     4.2238    -3.7365     4.5148	F	1	noname	-0.1655
22	H1    -1.1673    -1.8442     0.5881	H	1	noname	0.1308
23	H2     2.7808    -0.8427    -2.9988	H	1	noname	0.0251
24	H3     1.8903     0.6984    -3.0176	H	1	noname	0.0251
25	H4     3.6670     0.6984    -2.9088	H	1	noname	0.0251
26	H5    -0.1168     0.0328     2.4187	H	1	noname	0.0517
27	H6     3.1925     2.8670     0.2053	H	1	noname	0.2108
28	H7     3.6718    -0.2859     1.2797	H	1	noname	0.0260
29	H8     4.5617     1.2307     1.5559	H	1	noname	0.0260
30	H9     2.7818     1.2307     1.5552	H	1	noname	0.0260
31	H10     5.7751     0.6706    -0.1439	H	1	noname	0.0260
32	H11     5.0515    -0.0995    -1.5763	H	1	noname	0.0260
33	H12     5.3788     1.6501    -1.5763	H	1	noname	0.0260
34	H13    -1.2224    -1.3707     4.2011	H	1	noname	0.0250
35	H14    -2.2376    -0.7602     2.8726	H	1	noname	0.0250
36	H15    -1.6970    -2.4561     2.8726	H	1	noname	0.0250
37	H16     2.0270     0.0303     3.4895	H	1	noname	0.0627
38	H17     0.1915    -3.7414     2.5639	H	1	noname	0.0627
39	H18     3.9919    -1.1563     4.4283	H	1	noname	0.0653
40	H19     2.1565    -4.9280     3.5027	H	1	noname	0.0653
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	3	8	1
8	4	6	1
9	9	5	1
10	6	10	2
11	7	11	1
12	7	12	1
13	7	13	1
14	9	14	1
15	9	15	1
16	14	16	2
17	14	17	1
18	16	18	1
19	17	19	2
20	18	20	2
21	19	20	1
22	20	21	1
23	5	22	1
24	8	23	1
25	8	24	1
26	8	25	1
27	9	26	1
28	11	27	1
29	12	28	1
30	12	29	1
31	12	30	1
32	13	31	1
33	13	32	1
34	13	33	1
35	15	34	1
36	15	35	1
37	15	36	1
38	16	37	1
39	17	38	1
40	18	39	1
41	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1