@<TRIPOS>MOLECULE
118796516
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.2899     3.8720    -0.0445	Cl	1	noname	-0.0864
2	O1    -0.8310    -1.0905    -0.2121	O.3	1	noname	-0.1532
3	O2    -2.5234    -2.3833    -0.8059	O.2	1	noname	-0.2571
4	C1    -0.0597     0.0152     0.0033	C.2	1	noname	0.0108
5	C2     1.3580    -0.0524     0.0430	C.2	1	noname	-0.0077
6	C3    -0.6953     1.2609     0.1411	C.2	1	noname	-0.0077
7	C4     2.1035     1.1557     0.0415	C.2	1	noname	-0.0141
8	C5     0.0312     2.4410    -0.0918	C.2	1	noname	-0.0141
9	C6     1.4400     2.4015    -0.0656	C.2	1	noname	-0.0152
10	C7    -2.0231    -1.2509    -0.8980	C.2	1	noname	0.1095
11	C8    -2.7519    -0.4048    -1.7093	C.2	1	noname	0.0591
12	C9    -2.6580     0.8972    -1.9734	C.2	1	noname	-0.0236
13	C10    -3.5141     1.4683    -2.8159	C.2	1	noname	-0.0643
14	C11    -3.4203     2.7685    -3.0797	C.2	1	noname	-0.0791
15	C12    -4.3409     3.3825    -3.9856	C.3	1	noname	-0.0467
16	H1     1.8465    -0.9651     0.0604	H	1	noname	0.0650
17	H2    -1.7023     1.3009     0.3368	H	1	noname	0.0650
18	H3     3.1306     1.1144     0.1402	H	1	noname	0.0639
19	H4    -0.4757     3.3174    -0.2186	H	1	noname	0.0639
20	H5    -3.4910    -0.8550    -2.1901	H	1	noname	0.0686
21	H6    -1.9509     1.4400    -1.5427	H	1	noname	0.0624
22	H7    -4.2212     0.9256    -3.2467	H	1	noname	0.0619
23	H8    -2.7132     3.3112    -2.6490	H	1	noname	0.0572
24	H9    -4.8908     4.1683    -3.4677	H	1	noname	0.0273
25	H10    -5.0404     2.6332    -4.3562	H	1	noname	0.0273
26	H11    -3.7931     3.8140    -4.8233	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	9	1
2	2	4	1
3	2	10	1
4	3	10	2
5	4	5	2
6	4	6	1
7	5	7	1
8	5	16	1
9	6	8	2
10	6	17	1
11	7	9	2
12	7	18	1
13	8	9	1
14	8	19	1
15	10	11	1
16	11	12	2
17	11	20	1
18	12	13	1
19	12	21	1
20	13	14	2
21	13	22	1
22	14	15	1
23	14	23	1
24	15	24	1
25	15	25	1
26	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1