@<TRIPOS>MOLECULE
50351961
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.4378    -3.5222     3.3861	Cl	1	noname	-0.0362
2	C1    -0.9014    -5.1054     3.1591	C.2	1	noname	0.0532
3	N1     0.2032    -5.5353     3.8494	N.2	1	noname	-0.2207
4	C2    -1.6066    -5.9435     2.2633	C.2	1	noname	0.0428
5	C3     0.7127    -6.8103     3.7242	C.2	1	noname	0.0023
6	N2    -2.6879    -5.5360     1.5848	N.3	1	noname	0.0935
7	C4    -1.0681    -7.2594     2.1440	C.2	1	noname	-0.0049
8	C5     0.0890    -7.7570     2.8403	C.2	1	noname	-0.0052
9	S1    -2.2113    -4.8782     0.1142	S	1	noname	-0.0973
10	C6     0.5997    -9.1137     2.6703	C.2	1	noname	-0.0114
11	O1    -1.4379    -5.9792    -0.7331	O.2	1	noname	-0.1952
12	O2    -1.2505    -3.6384     0.3747	O.2	1	noname	-0.1952
13	C7    -3.6073    -4.3519    -0.7616	C.2	1	noname	0.0164
14	C8    -0.0432   -10.0454     1.7806	C.2	1	noname	-0.0530
15	C9     1.7558    -9.5918     3.3965	C.2	1	noname	0.0201
16	C10    -4.3209    -3.2403    -0.3291	C.2	1	noname	0.0312
17	C11    -4.0154    -5.0408    -1.8979	C.2	1	noname	0.0312
18	N3     0.4491   -11.3015     1.7203	N.3	1	noname	-0.0843
19	C12     2.2785   -10.8994     3.3413	C.2	1	noname	0.0268
20	C13    -5.4425    -2.8174    -1.0328	C.2	1	noname	0.0165
21	C14    -5.1370    -4.6179    -2.6016	C.2	1	noname	0.0165
22	C15     1.5183   -11.7064     2.4569	C.2	1	noname	0.0279
23	C16    -0.0021   -12.3292     0.9907	C.2	1	noname	-0.0251
24	C17    -5.8506    -3.5063    -2.1690	C.2	1	noname	0.0511
25	N4     1.7135   -13.0042     2.2009	N.2	1	noname	-0.1620
26	N5     0.8042   -13.3516     1.3282	N.2	1	noname	-0.1691
27	F1    -6.9004    -3.1105    -2.8277	F	1	noname	-0.1621
28	H1     1.5932    -7.0654     4.3138	H	1	noname	0.0846
29	H2    -3.5791    -5.6792     2.0379	H	1	noname	0.1507
30	H3    -1.5827    -7.9400     1.4657	H	1	noname	0.0647
31	H4    -0.9008    -9.8004     1.1541	H	1	noname	0.0803
32	H5     2.2855    -8.8984     4.0497	H	1	noname	0.0630
33	H6    -4.0009    -2.7001     0.5619	H	1	noname	0.0640
34	H7    -3.4558    -5.9125    -2.2370	H	1	noname	0.0640
35	H8     3.1483   -11.2389     3.9035	H	1	noname	0.0660
36	H9    -6.0021    -1.9457    -0.6936	H	1	noname	0.0653
37	H10    -5.4570    -5.1581    -3.4926	H	1	noname	0.0653
38	H11    -0.8332   -12.3327     0.2855	H	1	noname	0.1039
@<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	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