@<TRIPOS>MOLECULE
DB07513
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     7.5663     3.8888    -3.2450	Cl	1	noname	-0.0840
2	C1     6.8975     3.5859    -1.7261	C.2	1	noname	-0.0095
3	C2     5.5522     3.2554    -1.6125	C.2	1	noname	-0.0153
4	C3     7.6918     3.6669    -0.5883	C.2	1	noname	-0.0265
5	C4     5.0011     3.0058    -0.3610	C.2	1	noname	-0.0329
6	C5     7.1407     3.4173     0.6632	C.2	1	noname	-0.0480
7	C6     5.7954     3.0868     0.7768	C.2	1	noname	-0.0457
8	C7     3.5880     2.6587    -0.2417	C.3	1	noname	0.0785
9	O1     3.4645     1.3760     0.3549	O.3	1	noname	-0.2701
10	C8     2.1578     1.0550     0.4653	C.2	1	noname	0.0133
11	C9     1.5245     0.3652    -0.6017	C.2	1	noname	0.0147
12	C10     1.4502     1.4198     1.6547	C.2	1	noname	-0.0288
13	C11     0.1505     0.0509    -0.4370	C.2	1	noname	0.0281
14	C12     0.0774     1.1129     1.8342	C.2	1	noname	-0.0261
15	O2    -0.5272    -0.6177    -1.4329	O.3	1	noname	-0.1486
16	C13    -0.5695     0.4236     0.7764	C.2	1	noname	-0.0119
17	C14    -1.8626    -0.9475    -1.3237	C.2	1	noname	0.1136
18	C15    -1.9398     0.0850     0.8881	C.2	1	noname	0.0142
19	O3    -2.4320    -1.5549    -2.2561	O.2	1	noname	-0.2565
20	C16    -2.5906    -0.6008    -0.1599	C.2	1	noname	0.0746
21	C17    -2.6825     0.4466     2.0920	C.3	1	noname	0.0212
22	N1    -2.5859    -0.6374     3.0682	N.3	1	noname	-0.3156
23	C18    -3.3295    -0.2753     4.2737	C.3	1	noname	-0.0161
24	H1     4.9293     3.1919    -2.5047	H	1	noname	0.0641
25	H2     8.7468     3.9260    -0.6774	H	1	noname	0.0638
26	H3     7.7636     3.4808     1.5554	H	1	noname	0.0623
27	H4     5.3633     2.8911     1.7582	H	1	noname	0.0626
28	H5     3.1393     3.3653     0.4566	H	1	noname	0.0623
29	H6     3.1915     2.5653    -1.2527	H	1	noname	0.0623
30	H7     2.0681     0.0897    -1.5055	H	1	noname	0.0678
31	H8     1.9744     1.9491     2.4504	H	1	noname	0.0650
32	H9    -0.4556     1.3936     2.7427	H	1	noname	0.0630
33	H10    -3.6455    -0.8602    -0.0712	H	1	noname	0.0690
34	H11    -2.1758     1.3082     2.5267	H	1	noname	0.0478
35	H12    -3.7313     0.5190     1.8043	H	1	noname	0.0478
36	H13    -2.0832    -1.5026     2.9310	H	1	noname	0.1222
37	H14    -3.6480    -1.1809     4.7900	H	1	noname	0.0391
38	H15    -2.6901     0.3125     4.9323	H	1	noname	0.0391
39	H16    -4.2050     0.3125     3.9977	H	1	noname	0.0391
@<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	5	8	1
8	6	7	1
9	8	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	12	14	2
15	13	15	1
16	13	16	2
17	14	16	1
18	15	17	1
19	16	18	1
20	17	19	2
21	17	20	1
22	18	21	1
23	18	20	2
24	21	22	1
25	22	23	1
26	3	24	1
27	4	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	8	29	1
32	11	30	1
33	12	31	1
34	14	32	1
35	20	33	1
36	21	34	1
37	21	35	1
38	22	36	1
39	23	37	1
40	23	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1