@MOLECULE 86057400 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.8565 -4.3903 -0.0954 Cl 1 noname -0.1159 2 Cl2 2.1538 -2.0449 0.6128 Cl 1 noname -0.0841 3 O1 -2.1225 -0.5169 1.1424 O.3 1 noname -0.3852 4 O2 -1.3272 -2.6054 2.8546 O.3 1 noname -0.3932 5 C1 -2.2917 -2.7057 0.1493 C.3 1 noname 0.0760 6 C2 -3.1553 -2.1500 -0.9848 C.3 1 noname -0.0292 7 C3 -3.7428 -2.3028 0.4196 C.3 1 noname -0.0292 8 C4 -1.3545 -1.6098 0.6606 C.3 1 noname 0.1109 9 C5 -0.4533 -1.1357 -0.4814 C.3 1 noname 0.0343 10 C6 -0.4908 -2.1655 1.7947 C.3 1 noname 0.0741 11 C7 0.4411 -0.0899 0.0065 C.2 1 noname -0.0217 12 C8 1.6816 -0.4272 0.5351 C.2 1 noname -0.0148 13 C9 0.0520 1.2430 -0.0575 C.2 1 noname -0.0525 14 C10 2.5331 0.5685 0.9996 C.2 1 noname -0.0282 15 C11 0.9035 2.2386 0.4069 C.2 1 noname -0.0585 16 C12 2.1441 1.9014 0.9355 C.2 1 noname -0.0576 17 H1 -3.5003 -2.9703 -1.6142 H 1 noname 0.0286 18 H2 -2.9485 -1.1340 -1.3212 H 1 noname 0.0286 19 H3 -4.3667 -3.1958 0.4573 H 1 noname 0.0286 20 H4 -4.0197 -1.3084 0.7696 H 1 noname 0.0286 21 H5 -1.0686 -0.7398 -1.2893 H 1 noname 0.0347 22 H6 0.1363 -1.9746 -0.8512 H 1 noname 0.0347 23 H7 0.0987 -3.0044 1.4249 H 1 noname 0.0594 24 H8 0.1769 -1.3847 2.1590 H 1 noname 0.0594 25 H9 -1.5222 0.1851 1.4699 H 1 noname 0.2110 26 H10 -0.7740 -2.9614 3.5810 H 1 noname 0.2101 27 H11 -0.8583 1.4905 -0.4454 H 1 noname 0.0626 28 H12 3.4435 0.3210 1.3874 H 1 noname 0.0638 29 H13 0.6180 3.2167 0.3599 H 1 noname 0.0622 30 H14 2.7689 2.6320 1.2764 H 1 noname 0.0623 @BOND 1 1 5 1 2 2 12 1 3 3 8 1 4 3 25 1 5 4 10 1 6 4 26 1 7 5 6 1 8 5 7 1 9 5 8 1 10 6 7 1 11 6 17 1 12 6 18 1 13 7 19 1 14 7 20 1 15 8 9 1 16 8 10 1 17 9 11 1 18 9 21 1 19 9 22 1 20 10 23 1 21 10 24 1 22 11 12 1 23 11 13 2 24 12 14 2 25 13 15 1 26 13 27 1 27 14 16 1 28 14 28 1 29 15 16 2 30 15 29 1 31 16 30 1 @SUBSTRUCTURE 1 noname 1