@<TRIPOS>MOLECULE
50351951
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.3018    -5.2273    -2.2652	Cl	1	noname	-0.0349
2	C1     0.2042    -3.9618    -2.0661	C.2	1	noname	0.0602
3	N1     0.6795    -2.6641    -2.0261	N.2	1	noname	-0.2169
4	C2    -1.1804    -4.2644    -1.9447	C.2	1	noname	0.0468
5	C3    -0.1204    -1.5656    -1.8762	C.2	1	noname	0.0148
6	N2    -1.6541    -5.5172    -1.9845	N.3	1	noname	0.0938
7	C4    -2.0124    -3.1414    -1.7794	C.2	1	noname	0.0081
8	C5    -1.5249    -1.7812    -1.7494	C.2	1	noname	0.0054
9	S1    -2.0142    -5.9296    -3.5728	S	1	noname	-0.0972
10	C6    -2.4047    -0.6657    -1.5929	C.2	1	noname	0.0338
11	O1    -3.1769    -4.9896    -4.1138	O.2	1	noname	-0.1952
12	O2    -0.7186    -5.7431    -4.4755	O.2	1	noname	-0.1952
13	C7    -2.5296    -7.5798    -3.6375	C.2	1	noname	0.0164
14	N3    -1.9542     0.4670    -0.9603	N.2	1	noname	-0.2647
15	C8    -3.7533    -0.7061    -2.0951	C.2	1	noname	0.0336
16	C9    -3.0408    -8.1024    -4.8197	C.2	1	noname	0.0312
17	C10    -2.4324    -8.3830    -2.5072	C.2	1	noname	0.0312
18	N4    -2.7392     1.5017    -0.8070	N.3	1	noname	-0.0537
19	C11    -4.5942     0.4026    -1.9180	C.2	1	noname	0.0228
20	C12    -3.4549    -9.4282    -4.8717	C.2	1	noname	0.0165
21	C13    -2.8465    -9.7089    -2.5592	C.2	1	noname	0.0165
22	C14    -4.0139     1.5012    -1.2534	C.2	1	noname	0.0223
23	C15    -2.4741     2.6707    -0.2279	C.2	1	noname	-0.0611
24	C16    -3.3577   -10.2315    -3.7414	C.2	1	noname	0.0511
25	N5    -4.5786     2.6684    -0.9664	N.2	1	noname	-0.2229
26	C17    -3.6536     3.4093    -0.3342	C.2	1	noname	0.0186
27	F1    -3.7453   -11.4725    -3.7901	F	1	noname	-0.1621
28	H1     0.3352    -0.5755    -1.8587	H	1	noname	0.0847
29	H2    -1.7191    -5.9980    -1.0986	H	1	noname	0.1507
30	H3    -3.0798    -3.3334    -1.6699	H	1	noname	0.0648
31	H4    -4.1408    -1.5831    -2.6136	H	1	noname	0.0647
32	H5    -3.1170    -7.4725    -5.7060	H	1	noname	0.0640
33	H6    -2.0315    -7.9732    -1.5802	H	1	noname	0.0640
34	H7    -5.6252     0.4100    -2.2716	H	1	noname	0.0660
35	H8    -3.8558    -9.8380    -5.7987	H	1	noname	0.0653
36	H9    -2.7703   -10.3388    -1.6729	H	1	noname	0.0653
37	H10    -1.5232     2.9539     0.2233	H	1	noname	0.0830
38	H11    -3.8279     4.4232     0.0261	H	1	noname	0.0854
@<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	1
23	18	23	1
24	19	22	1
25	20	24	2
26	21	24	1
27	22	25	2
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	15	31	1
35	16	32	1
36	17	33	1
37	19	34	1
38	20	35	1
39	21	36	1
40	23	37	1
41	26	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1