@<TRIPOS>MOLECULE
DB00837
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.2499    -2.1593     0.5219	Cl	1	noname	-0.0830
2	C1     1.3712    -0.4816     0.5547	C.2	1	noname	-0.0045
3	C2     2.3234     0.1266    -0.3166	C.2	1	noname	-0.0191
4	C3     0.5027     0.2292     1.4376	C.2	1	noname	-0.0191
5	C4     2.4186     1.5356    -0.2788	C.2	1	noname	-0.0244
6	C5     0.5868     1.6489     1.4385	C.2	1	noname	-0.0244
7	C6     1.5503     2.3000     0.5831	C.2	1	noname	-0.0262
8	C7     1.6929     3.7151     0.5635	C.2	1	noname	0.0075
9	N1     2.0001     4.1179     1.7617	N.2	1	noname	-0.2584
10	C8     1.5511     4.4834    -0.6529	C.2	1	noname	0.0131
11	C9     2.3586     5.2661     2.4622	C.3	1	noname	0.0402
12	C10     1.7672     5.9022    -0.7771	C.2	1	noname	0.0166
13	C11     1.1902     3.8449    -1.8915	C.2	1	noname	0.0223
14	C12     1.2019     5.9292     3.2308	C.3	1	noname	-0.0259
15	O1     2.1071     6.6863     0.2316	O.3	1	noname	-0.2821
16	C13     1.7051     6.6676    -1.9648	C.2	1	noname	-0.0084
17	C14     1.1450     4.5579    -3.1151	C.2	1	noname	0.0159
18	C15     1.7184     7.1736     3.9557	C.3	1	noname	0.0130
19	C16     1.3893     5.9535    -3.1411	C.2	1	noname	0.0051
20	F1     0.8928     3.9072    -4.2272	F	1	noname	-0.1670
21	C17     0.6436     7.7897     4.6699	C.2	1	noname	0.0111
22	O2     0.8606     8.8861     5.3722	O.3	1	noname	-0.2669
23	N2    -0.5244     7.2801     4.6283	N.2	1	noname	-0.2439
24	H1     2.9529    -0.4617    -0.9842	H	1	noname	0.0638
25	H2    -0.1992    -0.2932     2.0876	H	1	noname	0.0638
26	H3     3.1569     2.0298    -0.9103	H	1	noname	0.0630
27	H4    -0.0750     2.2275     2.0830	H	1	noname	0.0630
28	H5     3.0794     4.9068     3.1966	H	1	noname	0.0514
29	H6     2.6748     5.9575     1.6812	H	1	noname	0.0514
30	H7     0.9422     2.7836    -1.9033	H	1	noname	0.0661
31	H8     0.4849     6.2758     2.4865	H	1	noname	0.0290
32	H9     0.8895     5.2250     4.0019	H	1	noname	0.0290
33	H10     2.3609     6.1474     0.9845	H	1	noname	0.2182
34	H11     1.8892     7.7419    -1.9731	H	1	noname	0.0651
35	H12     2.4276     6.8483     4.7169	H	1	noname	0.0354
36	H13     2.0230     7.8991     3.2014	H	1	noname	0.0354
37	H14     1.3331     6.4903    -4.0881	H	1	noname	0.0654
38	H15     0.8197     8.6796     6.3088	H	1	noname	0.2195
39	H16    -0.8612     7.1331     5.5691	H	1	noname	0.1895
@<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	2
10	8	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	14	1
15	12	15	1
16	12	16	1
17	13	17	2
18	14	18	1
19	16	19	2
20	17	20	1
21	17	19	1
22	18	21	1
23	21	22	1
24	21	23	2
25	3	24	1
26	4	25	1
27	5	26	1
28	6	27	1
29	11	28	1
30	11	29	1
31	13	30	1
32	14	31	1
33	14	32	1
34	15	33	1
35	16	34	1
36	18	35	1
37	18	36	1
38	19	37	1
39	22	38	1
40	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1