@<TRIPOS>MOLECULE
DB07296
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     9.2148    -6.2775    -1.5626	Cl	1	noname	-0.0820
2	C1     8.0600    -5.1031    -1.1979	C.2	1	noname	0.0036
3	C2     6.7072    -5.4178    -1.2532	C.2	1	noname	-0.0182
4	C3     8.4613    -3.8207    -0.8420	C.2	1	noname	-0.0182
5	C4     5.7557    -4.4501    -0.9527	C.2	1	noname	-0.0185
6	C5     7.5098    -2.8530    -0.5415	C.2	1	noname	-0.0185
7	C6     6.1570    -3.1677    -0.5969	C.2	1	noname	-0.0288
8	C7     5.2260    -2.2209    -0.3028	C.2	1	noname	0.0836
9	C8     5.5348    -0.8624     0.0771	C.2	1	noname	0.1323
10	C9     3.9167    -2.4243    -0.3275	C.2	1	noname	0.0381
11	O1     6.6560    -0.3183     0.1746	O.2	1	noname	-0.2489
12	O2     4.2643    -0.2995     0.3112	O.3	1	noname	-0.1410
13	O3     3.2768    -3.5398    -0.6251	O.3	1	noname	-0.2722
14	C10     3.4012    -1.2690     0.0100	C.2	1	noname	0.0356
15	C11     2.0860    -1.1074     0.0600	C.2	1	noname	0.0128
16	C12     1.3963     0.0517     0.3938	C.2	1	noname	-0.0286
17	C13     0.1360    -0.0328     1.0745	C.2	1	noname	-0.0283
18	C14     1.9413     1.3393     0.0962	C.2	1	noname	-0.0411
19	C15    -0.5192     1.2152     1.4613	C.2	1	noname	-0.0374
20	C16    -0.4917    -1.2923     1.3995	C.2	1	noname	-0.0438
21	C17     1.3159     2.5389     0.4868	C.2	1	noname	-0.0524
22	C18     0.0910     2.4722     1.1730	C.2	1	noname	-0.0436
23	C19    -1.7728     1.2104     2.1255	C.2	1	noname	-0.0470
24	C20    -1.7406    -1.2852     2.0640	C.2	1	noname	-0.0563
25	C21    -2.3689    -0.0537     2.4159	C.2	1	noname	-0.0568
26	H1     6.3926    -6.4234    -1.5323	H	1	noname	0.0638
27	H2     9.5221    -3.5740    -0.7986	H	1	noname	0.0638
28	H3     4.6949    -4.6968    -0.9961	H	1	noname	0.0629
29	H4     7.8244    -1.8474    -0.2625	H	1	noname	0.0629
30	H5     3.0201    -3.9872     0.1845	H	1	noname	0.2183
31	H6     1.5230    -2.0052    -0.1954	H	1	noname	0.0657
32	H7     2.8790     1.4097    -0.4551	H	1	noname	0.0629
33	H8    -0.0251    -2.2438     1.1445	H	1	noname	0.0629
34	H9     1.7722     3.5029     0.2619	H	1	noname	0.0623
35	H10    -0.3885     3.4006     1.4833	H	1	noname	0.0629
36	H11    -2.2607     2.1448     2.4028	H	1	noname	0.0629
37	H12    -2.2210    -2.2332     2.3059	H	1	noname	0.0622
38	H13    -3.3338    -0.0795     2.9222	H	1	noname	0.0622
@<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	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	2
11	9	11	2
12	9	12	1
13	10	13	1
14	10	14	1
15	12	14	1
16	14	15	2
17	15	16	1
18	16	17	1
19	16	18	2
20	17	19	1
21	17	20	2
22	18	21	1
23	19	22	1
24	19	23	2
25	20	24	1
26	21	22	2
27	23	25	1
28	24	25	2
29	3	26	1
30	4	27	1
31	5	28	1
32	6	29	1
33	13	30	1
34	15	31	1
35	18	32	1
36	20	33	1
37	21	34	1
38	22	35	1
39	23	36	1
40	24	37	1
41	25	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1