@<TRIPOS>MOLECULE
DB06820
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.4047    -3.3205     0.2466	Cl	1	noname	-0.0796
2	C1     0.8502    -1.9893    -0.6290	C.2	1	noname	0.0060
3	C2     1.2907    -0.6685    -0.2801	C.2	1	noname	-0.0116
4	C3    -0.0582    -2.1790    -1.7180	C.2	1	noname	0.0080
5	C4     0.7965     0.4832    -1.0003	C.2	1	noname	-0.0324
6	C5     2.2959    -0.5882     0.8349	C.3	1	noname	0.0476
7	C6    -0.5247    -1.0305    -2.4237	C.2	1	noname	-0.0021
8	C7    -0.1274     0.3021    -2.0816	C.2	1	noname	-0.0222
9	S1     4.0310    -0.6614     0.2347	S.3	1	noname	-0.1472
10	C8     2.2286     0.6798     1.7175	C.3	1	noname	-0.0461
11	Cl2    -1.5882    -1.2511    -3.7146	Cl	1	noname	-0.0826
12	C9     4.3967    -2.2578    -0.5880	C.3	1	noname	0.0191
13	N1     2.7194     0.6539     3.0504	N.3	1	noname	-0.0445
14	C10     5.7835    -2.2636    -1.0445	C.2	1	noname	-0.0464
15	C11     2.7654     1.7972     3.7497	C.2	1	noname	-0.0487
16	C12     3.1467    -0.3513     3.8367	C.2	1	noname	-0.0713
17	C13     6.0697    -2.4191    -2.3958	C.2	1	noname	-0.0439
18	C14     6.8176    -2.1135    -0.1279	C.2	1	noname	-0.0439
19	N2     3.2421     1.5280     4.9630	N.2	1	noname	-0.2422
20	C15     3.4866     0.2128     5.0479	C.2	1	noname	0.0081
21	C16     7.3899    -2.4246    -2.8305	C.2	1	noname	-0.0251
22	C17     8.1378    -2.1190    -0.5625	C.2	1	noname	-0.0251
23	C18     8.4240    -2.2745    -1.9138	C.2	1	noname	-0.0124
24	Cl3    10.0264    -2.2812    -2.4414	Cl	1	noname	-0.0846
25	H1    -0.3881    -3.1777    -2.0041	H	1	noname	0.0653
26	H2     1.1203     1.4878    -0.7281	H	1	noname	0.0626
27	H3     1.8273    -1.3766     1.4240	H	1	noname	0.0484
28	H4    -0.5189     1.1582    -2.6311	H	1	noname	0.0638
29	H5     2.8761     1.4169     1.2425	H	1	noname	0.0488
30	H6     1.1699     0.8960     1.8606	H	1	noname	0.0488
31	H7     4.3786    -3.0725     0.1360	H	1	noname	0.0430
32	H8     3.8367    -2.3437    -1.5192	H	1	noname	0.0430
33	H9     2.4653     2.7819     3.3913	H	1	noname	0.1015
34	H10     3.2053    -1.4019     3.5522	H	1	noname	0.0808
35	H11     5.2587    -2.5368    -3.1146	H	1	noname	0.0626
36	H12     6.5932    -1.9915     0.9318	H	1	noname	0.0626
37	H13     3.8827    -0.2964     5.9265	H	1	noname	0.0853
38	H14     7.6144    -2.5466    -3.8901	H	1	noname	0.0638
39	H15     8.9488    -2.0013     0.1563	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	6	9	1
9	6	10	1
10	7	11	1
11	7	8	1
12	9	12	1
13	10	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	14	17	2
18	14	18	1
19	15	19	2
20	16	20	2
21	17	21	1
22	18	22	2
23	19	20	1
24	21	23	2
25	22	23	1
26	23	24	1
27	4	25	1
28	5	26	1
29	6	27	1
30	8	28	1
31	10	29	1
32	10	30	1
33	12	31	1
34	12	32	1
35	15	33	1
36	16	34	1
37	17	35	1
38	18	36	1
39	20	37	1
40	21	38	1
41	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1