@<TRIPOS>MOLECULE
50351962
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.8715    -9.7594    -1.1245	Cl	1	noname	-0.0366
2	C1     2.2157    -8.8569     0.2586	C.2	1	noname	0.0510
3	N1     3.2137    -9.2860     1.1012	N.2	1	noname	-0.2213
4	C2     1.4674    -7.6823     0.5136	C.2	1	noname	0.0422
5	C3     3.5661    -8.6146     2.2492	C.2	1	noname	0.0001
6	N2     0.5001    -7.2465    -0.3049	N.3	1	noname	0.0935
7	C4     1.8290    -7.0001     1.7161	C.2	1	noname	-0.0070
8	C5     2.8661    -7.4163     2.6217	C.2	1	noname	-0.0062
9	S1     1.1608    -6.2112    -1.4512	S	1	noname	-0.0973
10	C6     3.1865    -6.6687     3.8146	C.2	1	noname	-0.0299
11	O1     1.5735    -4.8429    -0.7543	O.2	1	noname	-0.1952
12	O2     2.4476    -6.8866    -2.0963	O.2	1	noname	-0.1952
13	C7    -0.0079    -5.8990    -2.6879	C.2	1	noname	0.0164
14	C8     3.6543    -7.3666     4.9882	C.2	1	noname	-0.0123
15	C9     3.0726    -5.2304     3.8575	C.2	1	noname	-0.0305
16	C10    -1.2770    -5.4464    -2.3466	C.2	1	noname	0.0312
17	C11     0.3223    -6.1007    -4.0230	C.2	1	noname	0.0312
18	C12     4.0316    -6.6073     6.1077	C.2	1	noname	0.0242
19	C13     3.4459    -4.4310     4.9570	C.2	1	noname	-0.0067
20	C14    -2.2160    -5.1956    -3.3403	C.2	1	noname	0.0165
21	C15    -0.6167    -5.8499    -5.0167	C.2	1	noname	0.0165
22	C16     3.9484    -5.2013     6.0398	C.2	1	noname	0.0525
23	C17     4.4867    -7.1472     7.3207	C.2	1	noname	0.0465
24	C18    -1.8859    -5.3973    -4.6753	C.2	1	noname	0.0511
25	S2     4.5837    -4.6367     7.5594	S.3	1	noname	-0.1367
26	N3     4.8016    -6.1955     8.2255	N.2	1	noname	-0.1703
27	F1    -2.7648    -5.1625    -5.6054	F	1	noname	-0.1621
28	H1     4.3799    -9.0221     2.8489	H	1	noname	0.0846
29	H2    -0.4312    -7.5894    -0.1173	H	1	noname	0.1507
30	H3     1.2725    -6.0953     1.9606	H	1	noname	0.0647
31	H4     3.7217    -8.4537     5.0285	H	1	noname	0.0636
32	H5     2.6726    -4.7058     2.9899	H	1	noname	0.0629
33	H6    -1.5359    -5.2882    -1.2997	H	1	noname	0.0640
34	H7     1.3175    -6.4556    -4.2907	H	1	noname	0.0640
35	H8     3.3565    -3.3447     4.9686	H	1	noname	0.0638
36	H9    -3.2113    -4.8407    -3.0726	H	1	noname	0.0653
37	H10    -0.3578    -6.0080    -6.0636	H	1	noname	0.0653
38	H11     4.5866    -8.2101     7.5404	H	1	noname	0.0857
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	6	9	1
9	7	8	1
10	8	10	1
11	9	11	2
12	9	12	2
13	9	13	1
14	10	14	2
15	10	15	1
16	13	16	2
17	13	17	1
18	14	18	1
19	15	19	2
20	16	20	1
21	17	21	2
22	18	22	2
23	18	23	1
24	19	22	1
25	20	24	2
26	21	24	1
27	22	25	1
28	23	26	2
29	24	27	1
30	25	26	1
31	5	28	1
32	6	29	1
33	7	30	1
34	14	31	1
35	15	32	1
36	16	33	1
37	17	34	1
38	19	35	1
39	20	36	1
40	21	37	1
41	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1