BBJC89 -OEChem-04022113123D 36 38 0 0 0 0 0 0 0999 V2000 2.5395 3.7031 1.0624 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -1.7386 0.3692 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -1.7975 -0.9318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6938 -2.6311 -0.7748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 -1.8110 1.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1864 -1.8696 1.1527 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 -0.9090 0.9444 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -0.0876 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 1.0186 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 0.0944 -1.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 2.3066 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -1.5178 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 0.8156 2.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 1.3826 -2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9118 -0.7746 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 2.4887 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 -0.1584 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 -1.3127 -1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 -0.0721 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6454 0.3537 1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2785 0.5263 -1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 0.9519 1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7185 1.0383 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -1.7235 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 -0.7436 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5557 1.2000 2.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.3744 2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 -0.1908 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 1.5246 -3.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 3.4857 -1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 -1.4362 -2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -0.4562 -2.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 0.2999 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9147 0.5939 -1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 1.3507 2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6969 1.5042 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 25 1 0 0 0 0 11 16 2 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$