@<TRIPOS>MOLECULE
87161349
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.0543     3.2332    -0.8603	Cl	1	noname	-0.0845
2	O1    -0.4765    -2.1626     0.2238	O.3	1	noname	-0.3733
3	O2    -0.7959    -2.9568    -2.2006	O.2	1	noname	-0.2908
4	C1    -0.9152    -1.1648    -0.6862	C.3	1	noname	0.1701
5	C2     0.0626    -0.0814    -0.7291	C.2	1	noname	-0.0320
6	C3    -2.2048    -0.6393    -0.2476	C.2	1	noname	-0.0361
7	C4     0.8262     0.2105     0.3951	C.2	1	noname	-0.0344
8	C5     0.2300     0.6580    -1.8941	C.2	1	noname	-0.0344
9	C6    -2.3210    -0.0326     0.9976	C.2	1	noname	-0.0449
10	C7    -3.3165    -0.7457    -1.0753	C.2	1	noname	-0.0449
11	C8    -1.0545    -1.7476    -2.0175	C.2	1	noname	0.1521
12	C9     1.7571     1.2419     0.3543	C.2	1	noname	-0.0226
13	C10     1.1609     1.6894    -1.9350	C.2	1	noname	-0.0226
14	C11    -3.5488     0.4677     1.4151	C.2	1	noname	-0.0573
15	C12    -4.5442    -0.2454    -0.6578	C.2	1	noname	-0.0573
16	C13     1.9245     1.9814    -0.8108	C.2	1	noname	-0.0117
17	C14    -4.6604     0.3613     0.5874	C.2	1	noname	-0.0608
18	H1     0.7034    -0.3321     1.2500	H	1	noname	0.0627
19	H2    -0.3303     0.4437    -2.7191	H	1	noname	0.0627
20	H3    -1.5052     0.0455     1.6049	H	1	noname	0.0626
21	H4    -3.2312    -1.1909    -1.9890	H	1	noname	0.0626
22	H5    -1.3628    -1.1682    -2.7983	H	1	noname	0.1081
23	H6    -1.1328    -2.8898     0.2526	H	1	noname	0.2123
24	H7     2.3174     1.4562     1.1792	H	1	noname	0.0638
25	H8     1.2837     2.2320    -2.7899	H	1	noname	0.0638
26	H9    -3.6340     0.9129     2.3289	H	1	noname	0.0622
27	H10    -5.3600    -0.3235    -1.2651	H	1	noname	0.0622
28	H11    -5.5614     0.7284     0.8938	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	16	1
2	2	4	1
3	2	23	1
4	3	11	2
5	4	5	1
6	4	6	1
7	4	11	1
8	5	7	2
9	5	8	1
10	6	9	2
11	6	10	1
12	7	12	1
13	7	18	1
14	8	13	2
15	8	19	1
16	9	14	1
17	9	20	1
18	10	15	2
19	10	21	1
20	11	22	1
21	12	16	2
22	12	24	1
23	13	16	1
24	13	25	1
25	14	17	2
26	14	26	1
27	15	17	1
28	15	27	1
29	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1