@<TRIPOS>MOLECULE
119025718
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.6899     4.4156    -2.7796	Cl	1	noname	-0.0786
2	O1     1.6322    -0.5062     0.4607	O.3	1	noname	-0.3361
3	O2     2.4927    -1.1562    -1.5633	O.3	1	noname	-0.3584
4	O3    -1.1692    -0.1613    -3.5559	O.2	1	noname	-0.2956
5	O4     3.1735     1.6671    -0.5824	O.2	1	noname	-0.2741
6	C1     0.1754    -0.5048    -1.4926	C.3	1	noname	0.1006
7	C2    -0.6734    -0.6927    -0.2347	C.3	1	noname	0.0073
8	C3    -0.5002    -1.8653    -1.1928	C.3	1	noname	-0.0274
9	C4     0.2952    -0.7498     0.9515	C.3	1	noname	0.0707
10	C5     1.6088    -0.2263    -0.9488	C.3	1	noname	0.2452
11	C6    -0.3262     0.2665    -2.7381	C.2	1	noname	0.1096
12	C7    -0.0795     0.3303     1.9684	C.3	1	noname	-0.0356
13	C8     0.2815    -2.1240     1.6240	C.3	1	noname	-0.0356
14	C9     2.1654     1.2250    -1.1746	C.2	1	noname	0.1411
15	C10     0.3333     1.5704    -2.8156	C.2	1	noname	0.0734
16	C11     1.4032     2.0088    -2.1340	C.2	1	noname	0.0790
17	C12     1.7980     3.2597    -2.3534	C.2	1	noname	0.0179
18	C13     3.0823     3.5829    -2.2308	C.2	1	noname	-0.0267
19	C14     3.5069     4.9278    -2.4667	C.3	1	noname	-0.0452
20	H1    -1.7328    -0.4140    -0.1332	H	1	noname	0.0345
21	H2    -1.3956    -1.9692    -1.8055	H	1	noname	0.0283
22	H3     0.1781    -2.6434    -0.8425	H	1	noname	0.0283
23	H4    -0.7186    -2.3326     2.0040	H	1	noname	0.0260
24	H5     0.5605    -2.8869     0.8972	H	1	noname	0.0260
25	H6     0.9928    -2.1315     2.4499	H	1	noname	0.0260
26	H7    -1.0880     0.1465     2.3386	H	1	noname	0.0260
27	H8    -0.0408     1.3089     1.4899	H	1	noname	0.0260
28	H9     0.6235     0.3049     2.8010	H	1	noname	0.0260
29	H10    -0.0620     2.2144    -3.4552	H	1	noname	0.0668
30	H11     2.5085    -1.0015    -2.5309	H	1	noname	0.2141
31	H12     3.7444     2.8923    -1.9762	H	1	noname	0.0588
32	H13     3.9693     5.3266    -1.5638	H	1	noname	0.0274
33	H14     2.6450     5.5393    -2.7340	H	1	noname	0.0274
34	H15     4.2299     4.9429    -3.2823	H	1	noname	0.0274
@<TRIPOS>BOND
1	1	17	1
2	2	9	1
3	2	10	1
4	10	3	1
5	3	30	1
6	4	11	2
7	5	14	2
8	6	7	1
9	6	8	1
10	6	10	1
11	6	11	1
12	7	8	1
13	7	9	1
14	7	20	1
15	8	21	1
16	8	22	1
17	9	12	1
18	9	13	1
19	10	14	1
20	11	15	1
21	12	26	1
22	12	27	1
23	12	28	1
24	13	23	1
25	13	24	1
26	13	25	1
27	14	16	1
28	15	16	2
29	15	29	1
30	16	17	1
31	17	18	2
32	18	19	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1