@<TRIPOS>MOLECULE
DB07085
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.0692    -1.2020    -1.2636	Cl	1	noname	-0.0617
2	C1     0.0444     0.1104    -0.2098	C.2	1	noname	0.0502
3	C2     0.7103    -0.0272     1.0025	C.2	1	noname	0.0280
4	C3    -0.5281     1.3295    -0.5538	C.2	1	noname	-0.0091
5	F1     1.2461    -1.1682     1.3244	F	1	noname	-0.1614
6	C4     0.8039     1.0542     1.8707	C.2	1	noname	0.0368
7	C5    -0.4345     2.4109     0.3144	C.2	1	noname	0.0122
8	C6     0.2315     2.2732     1.5267	C.2	1	noname	-0.0120
9	N1    -0.9864     3.5861    -0.0172	N.3	1	noname	-0.1304
10	C7     0.3250     3.3546     2.3950	C.2	1	noname	0.0976
11	C8    -0.0434     4.3676    -0.7159	C.3	1	noname	0.0743
12	O1     1.3120     3.4629     3.1543	O.2	1	noname	-0.2970
13	C9    -0.7296     4.3640     2.4202	C.3	1	noname	-0.0009
14	C10    -0.6447     5.6480    -1.0772	C.2	1	noname	0.1371
15	O2    -1.8275     5.8954    -0.7576	O.2	1	noname	-0.2708
16	N2     0.0715     6.5580    -1.7514	N.3	1	noname	-0.1274
17	C11    -0.4803     7.7332    -2.0831	C.2	1	noname	0.0287
18	C12     0.2626     8.6772    -2.7824	C.2	1	noname	0.0178
19	C13    -1.7956     8.0083    -1.7277	C.2	1	noname	-0.0201
20	C14     1.5780     8.4021    -3.1378	C.2	1	noname	0.0904
21	C15    -0.3098     9.8962    -3.1265	C.2	1	noname	-0.0007
22	C16    -2.3681     9.2274    -2.0717	C.2	1	noname	-0.0301
23	O3     2.2460     9.2510    -3.7668	O.2	1	noname	-0.2581
24	O4     2.1339     7.2181    -2.8037	O.3	1	noname	-0.2180
25	C17    -1.6252    10.1713    -2.7711	C.2	1	noname	-0.0455
26	H1    -1.0503     1.4374    -1.5045	H	1	noname	0.0656
27	H2     1.3261     0.9462     2.8214	H	1	noname	0.0662
28	H3    -1.9366     3.8364     0.2162	H	1	noname	0.1287
29	H4     0.7621     4.5736    -0.0111	H	1	noname	0.0528
30	H5     0.1665     3.8335    -1.6426	H	1	noname	0.0528
31	H6    -0.9793     4.6029     3.4539	H	1	noname	0.0313
32	H7    -0.3831     5.2642     1.9127	H	1	noname	0.0313
33	H8    -1.6138     3.9783     1.9127	H	1	noname	0.0313
34	H9     1.0273     6.3581    -2.0097	H	1	noname	0.1371
35	H10    -2.3782     7.2681    -1.1793	H	1	noname	0.0639
36	H11     0.2728    10.6365    -3.6749	H	1	noname	0.0631
37	H12    -3.3995     9.4431    -1.7930	H	1	noname	0.0623
38	H13     2.1705     7.1402    -1.8476	H	1	noname	0.2216
39	H14    -2.0740    11.1273    -3.0408	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	6	8	2
8	7	9	1
9	7	8	1
10	8	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	14	1
15	14	15	2
16	14	16	1
17	16	17	1
18	17	18	2
19	17	19	1
20	18	20	1
21	18	21	1
22	19	22	2
23	20	23	2
24	20	24	1
25	21	25	2
26	22	25	1
27	4	26	1
28	6	27	1
29	9	28	1
30	11	29	1
31	11	30	1
32	13	31	1
33	13	32	1
34	13	33	1
35	16	34	1
36	19	35	1
37	21	36	1
38	22	37	1
39	24	38	1
40	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1