L68SHA -OEChem-05032300462D 57 60 0 1 0 0 0 0 0999 V2000 10.9055 1.4266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 5.7852 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 5.0807 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7852 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 1.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.2536 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 2.6627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 3.0228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4071 2.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7891 2.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 4.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 4.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 1.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 2.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9545 1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 1.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 1.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 2.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 1.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 3.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 3.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 4.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 3.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2815 4.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 3.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 0.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3402 0.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 3.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 23 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 32 2 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 46 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 10 47 1 0 0 0 0 11 22 2 0 0 0 0 11 30 1 0 0 0 0 12 28 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 1 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 33 54 1 0 0 0 0 34 36 2 0 0 0 0 34 55 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 M END $$$$