@<TRIPOS>MOLECULE
76962654
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.2488    -0.9884     0.2248	Cl	1	noname	-0.0832
2	F1     2.1938    -2.2451     0.2906	F	1	noname	-0.1660
3	F2     2.0663    -1.7946    -1.8988	F	1	noname	-0.1660
4	F3     0.2749    -2.5834    -0.8121	F	1	noname	-0.1660
5	O1     0.6370     4.3989     0.0133	O.3	1	noname	-0.1824
6	O2     2.3712     3.5193     0.7795	O.2	1	noname	-0.2252
7	N1     0.9065     1.8594     0.1054	N.3	1	noname	-0.1670
8	C1     3.1384     0.8092    -0.3578	C.2	1	noname	-0.0150
9	C2     1.7322     0.7887    -0.2031	C.2	1	noname	0.0338
10	C3     4.2225     1.5516     0.2488	C.3	1	noname	-0.0228
11	C4     5.1711     0.7798    -0.6890	C.3	1	noname	-0.0303
12	C5     0.9556    -0.3829    -0.3989	C.2	1	noname	0.0388
13	C6     3.9741     0.1216    -1.1295	C.2	1	noname	-0.0554
14	C7    -0.3645    -0.0078    -0.1659	C.2	1	noname	0.0190
15	C8    -0.3587     1.3448     0.1780	C.2	1	noname	-0.0115
16	C9     1.3814    -1.7802    -0.7112	C.3	1	noname	0.4185
17	C10    -1.5577    -0.7669    -0.1660	C.2	1	noname	0.0039
18	C11    -1.5726     1.9425     0.6061	C.2	1	noname	-0.0156
19	C12     1.2630     3.2067     0.2925	C.2	1	noname	0.1277
20	C13    -2.7878    -0.1255     0.1598	C.2	1	noname	-0.0035
21	C14    -2.7831     1.2391     0.5144	C.2	1	noname	-0.0145
22	C15    -0.6276     4.8112    -0.4976	C.3	1	noname	0.0552
23	C16    -0.4208     5.6179    -1.7811	C.3	1	noname	-0.0409
24	H1     4.1696     2.5940    -0.0656	H	1	noname	0.0319
25	H2     4.2652     1.3879     1.3256	H	1	noname	0.0319
26	H3     5.5286     1.4468    -1.4734	H	1	noname	0.0313
27	H4     5.8954     0.0695    -0.2904	H	1	noname	0.0313
28	H5     3.8277    -0.6050    -1.7866	H	1	noname	0.0579
29	H6    -1.5274    -1.7784    -0.3542	H	1	noname	0.0645
30	H7    -1.5890     2.8622     1.0417	H	1	noname	0.0643
31	H8    -3.6675     1.7159     0.7181	H	1	noname	0.0638
32	H9    -1.2357     3.9329    -0.7145	H	1	noname	0.0570
33	H10    -1.1343     5.4301     0.2429	H	1	noname	0.0570
34	H11    -1.3883     5.9333    -2.1718	H	1	noname	0.0254
35	H12     0.0859     4.9990    -2.5215	H	1	noname	0.0254
36	H13     0.1872     6.4962    -1.5642	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	20	1
2	2	16	1
3	3	16	1
4	4	16	1
5	5	19	1
6	5	22	1
7	6	19	2
8	7	9	1
9	7	15	1
10	7	19	1
11	8	9	1
12	8	10	1
13	8	13	2
14	9	12	2
15	10	11	1
16	10	24	1
17	10	25	1
18	11	13	1
19	11	26	1
20	11	27	1
21	12	14	1
22	12	16	1
23	13	28	1
24	14	15	2
25	14	17	1
26	15	18	1
27	17	20	2
28	17	29	1
29	18	21	2
30	18	30	1
31	20	21	1
32	21	31	1
33	22	23	1
34	22	32	1
35	22	33	1
36	23	34	1
37	23	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1