@<TRIPOS>MOLECULE
50422606
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.9201    -0.0937    -3.1261	Cl	1	noname	-0.0816
2	C1     4.2386     0.8715    -3.5453	C.2	1	noname	-0.0044
3	C2     5.5737     0.4713    -3.2089	C.2	1	noname	-0.0148
4	C3     4.0467     2.1036    -4.2423	C.2	1	noname	-0.0254
5	C4     6.7207     1.2672    -3.5359	C.2	1	noname	-0.0427
6	C5     5.7744    -0.8038    -2.5164	C.3	1	noname	0.0296
7	C6     5.1925     2.8951    -4.5760	C.2	1	noname	-0.0510
8	C7     6.5251     2.4987    -4.2330	C.2	1	noname	-0.0559
9	N1     5.7134    -0.4548    -1.1120	N.3	1	noname	-0.0710
10	C8     5.8993    -1.6407    -0.2912	C.2	1	noname	0.0330
11	O1     6.0843    -2.7902    -0.7461	O.2	1	noname	-0.2913
12	C9     5.8426    -1.3183     1.1323	C.2	1	noname	0.0550
13	C10     6.0151    -2.4214     2.0147	C.2	1	noname	0.0969
14	C11     5.6302     0.0021     1.6379	C.2	1	noname	0.0080
15	O2     6.2167    -3.6757     1.5582	O.3	1	noname	-0.1596
16	N2     5.9645    -2.1361     3.3603	N.2	1	noname	-0.2087
17	C12     5.5837     0.2605     3.0273	C.2	1	noname	-0.0224
18	C13     7.5409    -3.8935     1.4108	C.2	1	noname	0.0523
19	C14     5.7622    -0.8796     3.8731	C.2	1	noname	0.0166
20	C15     7.9959    -5.1233     0.9496	C.2	1	noname	0.0565
21	C16     8.4493    -2.8879     1.7202	C.2	1	noname	-0.0067
22	F1     7.1456    -6.0645     0.6600	F	1	noname	-0.1545
23	C17     9.3592    -5.3475     0.7978	C.2	1	noname	0.0014
24	C18     9.8126    -3.1121     1.5684	C.2	1	noname	-0.0536
25	C19    10.2676    -4.3419     1.1072	C.2	1	noname	-0.0510
26	H1     3.0443     2.4339    -4.5147	H	1	noname	0.0638
27	H2     7.7236     0.9418    -3.2594	H	1	noname	0.0626
28	H3     4.9217    -1.4462    -2.7364	H	1	noname	0.0484
29	H4     6.7861    -1.1490    -2.7293	H	1	noname	0.0484
30	H5     5.0450     3.8334    -5.1105	H	1	noname	0.0623
31	H6     7.3771     3.1246    -4.4983	H	1	noname	0.0622
32	H7     5.5632     0.4788    -0.7570	H	1	noname	0.1317
33	H8     5.5002     0.8339     0.9455	H	1	noname	0.0632
34	H9     5.4221     1.2652     3.4178	H	1	noname	0.0639
35	H10     5.7433    -0.7866     4.9590	H	1	noname	0.0840
36	H11     8.0925    -1.9235     2.0818	H	1	noname	0.0651
37	H12     9.7160    -6.3119     0.4362	H	1	noname	0.0654
38	H13    10.5250    -2.3236     1.8110	H	1	noname	0.0623
39	H14    11.3367    -4.5178     0.9882	H	1	noname	0.0623
@<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	5	8	2
8	6	9	1
9	7	8	1
10	9	10	1
11	10	11	2
12	10	12	1
13	12	13	2
14	12	14	1
15	13	15	1
16	13	16	1
17	14	17	2
18	15	18	1
19	16	19	2
20	17	19	1
21	18	20	2
22	18	21	1
23	20	22	1
24	20	23	1
25	21	24	2
26	23	25	2
27	24	25	1
28	4	26	1
29	5	27	1
30	6	28	1
31	6	29	1
32	7	30	1
33	8	31	1
34	9	32	1
35	14	33	1
36	17	34	1
37	19	35	1
38	21	36	1
39	23	37	1
40	24	38	1
41	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1