@<TRIPOS>MOLECULE
86278228
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.7938     7.5989    -3.9478	Cl	1	noname	-0.0845
2	O1     2.6999     3.5506     0.8203	O.3	1	noname	-0.3760
3	N1    -1.7389     1.5352     1.2050	N.2	1	noname	-0.2532
4	C1     1.9094     3.0903    -0.2658	C.3	1	noname	0.1403
5	C2     1.6346     4.2009    -1.1728	C.2	1	noname	-0.0331
6	C3     2.6308     2.0431    -0.9833	C.2	1	noname	-0.0372
7	C4     0.6501     2.5535     0.2418	C.2	1	noname	-0.0170
8	C5     0.9530     5.3216    -0.7128	C.2	1	noname	-0.0351
9	C6     2.0545     4.1376    -2.4964	C.2	1	noname	-0.0351
10	C7     3.8952     1.6533    -0.5573	C.2	1	noname	-0.0456
11	C8     2.0531     1.4360    -2.0923	C.2	1	noname	-0.0456
12	C9     0.0064     1.5005    -0.4819	C.2	1	noname	-0.0106
13	C10     0.1024     3.0986     1.4459	C.2	1	noname	-0.0106
14	C11     0.6914     6.3790    -1.5763	C.2	1	noname	-0.0227
15	C12     1.7929     5.1950    -3.3599	C.2	1	noname	-0.0227
16	C13     4.5819     0.6564    -1.2404	C.2	1	noname	-0.0574
17	C14     2.7399     0.4391    -2.7753	C.2	1	noname	-0.0574
18	C15     1.1113     6.3156    -2.8998	C.2	1	noname	-0.0118
19	C16     4.0043     0.0492    -2.3493	C.2	1	noname	-0.0608
20	C17    -1.2306     0.9896     0.0374	C.2	1	noname	0.0014
21	C18    -1.1366     2.5542     1.9248	C.2	1	noname	0.0014
22	H1     0.6449     5.3681     0.2585	H	1	noname	0.0627
23	H2     2.5546     3.3152    -2.8340	H	1	noname	0.0627
24	H3     4.3190     2.0988     0.2565	H	1	noname	0.0626
25	H4     1.1253     1.7221    -2.4048	H	1	noname	0.0626
26	H5     0.4130     1.1252    -1.3387	H	1	noname	0.0643
27	H6     0.5767     3.8495     1.9476	H	1	noname	0.0643
28	H7     3.5451     3.9109     0.4795	H	1	noname	0.2122
29	H8     0.1913     7.2013    -1.2387	H	1	noname	0.0638
30	H9     2.1010     5.1485    -4.3311	H	1	noname	0.0638
31	H10     5.5098     0.3703    -0.9278	H	1	noname	0.0622
32	H11     2.3160    -0.0065    -3.5891	H	1	noname	0.0622
33	H12     4.5083    -0.6823    -2.8505	H	1	noname	0.0622
34	H13    -1.7259     0.2391    -0.4441	H	1	noname	0.0839
35	H14    -1.5653     2.9109     2.7789	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	18	1
2	2	4	1
3	2	28	1
4	3	20	2
5	3	21	1
6	4	5	1
7	4	6	1
8	4	7	1
9	5	8	2
10	5	9	1
11	6	10	2
12	6	11	1
13	7	12	2
14	7	13	1
15	8	14	1
16	8	22	1
17	9	15	2
18	9	23	1
19	10	16	1
20	10	24	1
21	11	17	2
22	11	25	1
23	12	20	1
24	12	26	1
25	13	21	2
26	13	27	1
27	14	18	2
28	14	29	1
29	15	18	1
30	15	30	1
31	16	19	2
32	16	31	1
33	17	19	1
34	17	32	1
35	19	33	1
36	20	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1