@<TRIPOS>MOLECULE
DB01594
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.0196     1.4915    -0.1945	Cl	1	noname	-0.0842
2	C1     2.3338     1.4311    -0.1769	C.2	1	noname	-0.0047
3	C2     1.6758     0.1630    -0.1536	C.2	1	noname	0.0057
4	C3     1.5860     2.6496    -0.1856	C.2	1	noname	-0.0119
5	C4     0.2565     0.1337    -0.1017	C.2	1	noname	0.0064
6	C5     0.1679     2.6404    -0.1470	C.2	1	noname	-0.0162
7	C6    -0.4133    -1.0967    -0.0651	C.2	1	noname	0.0275
8	C7    -0.4875     1.3712    -0.0803	C.2	1	noname	0.0078
9	N1    -1.4931    -1.3683     0.5836	N.2	1	noname	-0.2279
10	C8     0.1332    -2.1095    -0.7897	C.2	1	noname	0.0196
11	N2    -1.8413     1.3781    -0.0353	N.3	1	noname	-0.1149
12	C9    -2.1823    -0.5645     1.5185	C.3	1	noname	0.2208
13	C10    -0.4733    -3.3601    -0.8035	C.2	1	noname	0.0437
14	C11     1.2984    -1.8942    -1.5164	C.2	1	noname	-0.0226
15	C12    -2.6294     0.8274     1.0329	C.2	1	noname	0.1608
16	C13    -2.5277     1.9691    -1.1159	C.3	1	noname	0.0240
17	O1    -1.3971    -0.4262     2.6935	O.3	1	noname	-0.3644
18	F1    -1.5639    -3.5617    -0.1233	F	1	noname	-0.1606
19	C14     0.0852    -4.3954    -1.5441	C.2	1	noname	-0.0021
20	C15     1.8570    -2.9294    -2.2570	C.2	1	noname	-0.0576
21	O2    -3.6038     1.4320     1.5304	O.2	1	noname	-0.2557
22	C16    -2.8051     0.9098    -2.1845	C.3	1	noname	0.0487
23	C17     1.2504    -4.1800    -2.2708	C.2	1	noname	-0.0405
24	C18    -3.4682     1.4806    -3.2283	C.1	1	noname	0.0616
25	N3    -4.0271     1.9617    -4.1081	N.1	1	noname	-0.1962
26	H1     2.2463    -0.7655    -0.1751	H	1	noname	0.0645
27	H2     2.1081     3.6057    -0.2226	H	1	noname	0.0638
28	H3    -0.3964     3.5728    -0.1677	H	1	noname	0.0640
29	H4    -3.0558    -1.1821     1.7271	H	1	noname	0.0965
30	H5     1.7740    -0.9135    -1.5056	H	1	noname	0.0630
31	H6    -3.4832     2.2967    -0.7062	H	1	noname	0.0450
32	H7    -1.8346     2.6994    -1.5333	H	1	noname	0.0450
33	H8    -1.1712    -1.2959     3.0316	H	1	noname	0.2133
34	H9    -0.3904    -5.3760    -1.5549	H	1	noname	0.0653
35	H10     2.7706    -2.7605    -2.8268	H	1	noname	0.0622
36	H11    -1.8553     0.5808    -2.6061	H	1	noname	0.0437
37	H12    -3.5039     0.1781    -1.7790	H	1	noname	0.0437
38	H13     1.6884    -4.9918    -2.8515	H	1	noname	0.0623
@<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	1
7	5	8	2
8	6	8	1
9	7	9	2
10	7	10	1
11	8	11	1
12	9	12	1
13	10	13	2
14	10	14	1
15	11	15	1
16	11	16	1
17	12	17	1
18	12	15	1
19	13	18	1
20	13	19	1
21	14	20	2
22	15	21	2
23	16	22	1
24	19	23	2
25	20	23	1
26	22	24	1
27	24	25	3
28	3	26	1
29	4	27	1
30	6	28	1
31	12	29	1
32	14	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	19	34	1
37	20	35	1
38	22	36	1
39	22	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1