@<TRIPOS>MOLECULE
DB02946
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.5578    -0.5291     1.9300	Cl	1	noname	-0.0845
2	C1    -0.4710     0.6431     1.3907	C.2	1	noname	-0.0121
3	C2    -0.1496     1.7210     2.2074	C.2	1	noname	-0.0240
4	C3     0.1031     0.5310     0.1298	C.2	1	noname	-0.0240
5	C4     0.7459     2.6868     1.7631	C.2	1	noname	-0.0398
6	C5     0.9986     1.4968    -0.3145	C.2	1	noname	-0.0398
7	C6     1.3200     2.5747     0.5022	C.2	1	noname	-0.0402
8	C7     2.2606     3.5892     0.0355	C.3	1	noname	0.0747
9	N1     1.5737     4.5849    -0.6183	N.2	1	noname	-0.2228
10	C8     3.2667     2.9493    -0.9233	C.3	1	noname	-0.0383
11	C9     1.6296     5.7847    -0.1907	C.2	1	noname	0.0244
12	O1     2.3469     6.0710     0.8798	O.3	1	noname	-0.2627
13	C10     0.9153     6.8202    -0.8707	C.3	1	noname	0.0727
14	C11    -0.1595     7.3917     0.0562	C.3	1	noname	0.1350
15	C12     1.1496     8.1539    -0.1584	C.3	1	noname	0.0062
16	C13     0.1078     6.5473    -2.1413	C.3	1	noname	-0.0395
17	Cl2    -0.1047     6.5569     1.6012	Cl	1	noname	-0.1001
18	Cl3    -1.6209     8.0157    -0.6935	Cl	1	noname	-0.1001
19	C14     0.9151     9.3042    -1.1396	C.3	1	noname	-0.0585
20	C15     1.0362     6.0018    -3.2282	C.3	1	noname	-0.0643
21	H1    -0.5998     1.8089     3.1962	H	1	noname	0.0638
22	H2    -0.1489    -0.3143    -0.5106	H	1	noname	0.0638
23	H3     0.9979     3.5321     2.4035	H	1	noname	0.0626
24	H4     1.4488     1.4089    -1.3033	H	1	noname	0.0626
25	H5     2.7243     4.0808     0.8907	H	1	noname	0.0600
26	H6     4.0490     2.4518    -0.3501	H	1	noname	0.0255
27	H7     2.7563     2.2192    -1.5514	H	1	noname	0.0255
28	H8     3.7115     3.7212    -1.5514	H	1	noname	0.0255
29	H9     2.6301     5.2569     1.3024	H	1	noname	0.2195
30	H10     1.9253     8.5664     0.4868	H	1	noname	0.0342
31	H11    -0.5973     5.7515    -1.9012	H	1	noname	0.0275
32	H12    -0.2580     7.5113    -2.4947	H	1	noname	0.0275
33	H13     0.7278    10.2231    -0.5841	H	1	noname	0.0235
34	H14     1.7973     9.4322    -1.7669	H	1	noname	0.0235
35	H15     0.0532     9.0766    -1.7669	H	1	noname	0.0235
36	H16     1.0187     4.9121    -3.2077	H	1	noname	0.0231
37	H17     0.6989     6.3523    -4.2036	H	1	noname	0.0231
38	H18     2.0524     6.3523    -3.0476	H	1	noname	0.0231
@<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	1
11	9	11	2
12	11	12	1
13	11	13	1
14	13	14	1
15	13	15	1
16	13	16	1
17	14	17	1
18	14	18	1
19	14	15	1
20	15	19	1
21	16	20	1
22	3	21	1
23	4	22	1
24	5	23	1
25	6	24	1
26	8	25	1
27	10	26	1
28	10	27	1
29	10	28	1
30	12	29	1
31	15	30	1
32	16	31	1
33	16	32	1
34	19	33	1
35	19	34	1
36	19	35	1
37	20	36	1
38	20	37	1
39	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1