LBW98Z -OEChem-05022322533D 40 41 0 0 0 0 0 0 0999 V2000 1.9154 0.5234 -1.9695 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2311 0.6680 -2.4923 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.1230 -0.7233 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5307 -1.7732 -0.6597 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8115 1.4841 1.5701 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2502 1.3774 -0.6278 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 1.9229 1.2971 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 0.8149 -0.4055 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 -1.0633 1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -0.5488 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -1.2943 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7343 -1.4046 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 -0.0300 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.7284 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8423 0.7115 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4399 -1.1618 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7681 0.4012 1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8067 -0.4435 -1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -2.0790 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -0.3772 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -2.0128 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6925 2.8583 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9974 1.1273 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2461 2.1507 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 -0.3127 2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -1.9742 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0293 -0.3567 2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3757 -1.3108 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -0.6958 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5731 0.8399 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8669 -1.6221 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0419 -0.0479 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 1.0747 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0941 -0.4801 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8086 -2.7525 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 -2.6384 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 2.0968 2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 3.9046 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5832 2.5350 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6111 1.9573 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 12 2 0 0 0 0 5 23 1 0 0 0 0 5 40 1 0 0 0 0 6 23 2 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 7 37 1 0 0 0 0 8 15 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$