@<TRIPOS>MOLECULE
DB01589
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.5808     2.4023    -0.6701	Cl	1	noname	-0.0846
2	C1     2.0089     1.8935    -0.3292	C.2	1	noname	-0.0078
3	C2     1.6423     0.5480    -0.5916	C.2	1	noname	0.0044
4	C3     1.0790     2.8227     0.2153	C.2	1	noname	-0.0132
5	C4     0.3071     0.1322    -0.2975	C.2	1	noname	0.0028
6	C5    -0.2564     2.4276     0.5153	C.2	1	noname	-0.0197
7	C6     0.0539    -1.1865    -0.5872	C.2	1	noname	0.0196
8	C7    -0.6424     1.0754     0.2569	C.2	1	noname	0.0059
9	N1    -0.9848    -1.9225    -0.4734	N.2	1	noname	-0.2516
10	C8     1.1286    -1.8434    -1.1003	C.2	1	noname	0.0194
11	N2    -1.9405     0.7991     0.5785	N.3	1	noname	-0.1559
12	C9    -2.2803    -1.7205    -0.0193	C.3	1	noname	0.0856
13	C10     1.0238    -3.1865    -1.4424	C.2	1	noname	0.0431
14	C11     2.3318    -1.1716    -1.2825	C.2	1	noname	-0.0234
15	C12    -2.7794    -0.3521     0.5153	C.2	1	noname	0.0801
16	C13    -2.7229     1.9605     0.4136	C.3	1	noname	0.1047
17	F1    -0.1023    -3.8153    -1.2719	F	1	noname	-0.1607
18	C14     2.1221    -3.8579    -1.9668	C.2	1	noname	-0.0023
19	C15     3.4301    -1.8430    -1.8069	C.2	1	noname	-0.0578
20	S1    -4.3890    -0.2202     1.0463	S.2	1	noname	-0.1095
21	C16    -2.6459     2.4248    -1.0422	C.3	1	noname	0.4018
22	C17     3.3253    -3.1861    -2.1490	C.2	1	noname	-0.0413
23	F2    -3.4066     3.5541    -1.2025	F	1	noname	-0.1696
24	F3    -3.1193     1.4344    -1.8634	F	1	noname	-0.1696
25	F4    -1.3426     2.7021    -1.3651	F	1	noname	-0.1696
26	H1     2.3688    -0.1492    -1.0090	H	1	noname	0.0645
27	H2     1.3932     3.8490     0.4049	H	1	noname	0.0638
28	H3    -0.9655     3.1427     0.9323	H	1	noname	0.0640
29	H4    -2.8548    -1.9269    -0.9223	H	1	noname	0.0585
30	H5    -2.3193    -2.4129     0.8216	H	1	noname	0.0585
31	H6     2.4139    -0.1183    -1.0142	H	1	noname	0.0630
32	H7    -3.7475     1.6494     0.6173	H	1	noname	0.0533
33	H8    -2.2492     2.7185     1.0375	H	1	noname	0.0533
34	H9     2.0400    -4.9112    -2.2351	H	1	noname	0.0653
35	H10     4.3736    -1.3162    -1.9498	H	1	noname	0.0622
36	H11     4.1866    -3.7126    -2.5602	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	2
10	7	10	1
11	8	11	1
12	9	12	1
13	10	13	2
14	10	14	1
15	11	15	1
16	11	16	1
17	12	15	1
18	13	17	1
19	13	18	1
20	14	19	2
21	15	20	2
22	16	21	1
23	18	22	2
24	19	22	1
25	21	23	1
26	21	24	1
27	21	25	1
28	3	26	1
29	4	27	1
30	6	28	1
31	12	29	1
32	12	30	1
33	14	31	1
34	16	32	1
35	16	33	1
36	18	34	1
37	19	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1