B5QWD7 -OEChem-04022105282D 43 46 0 0 0 0 0 0 0999 V2000 7.2566 1.9493 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 3.4379 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.1689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 1.2028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -3.4379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -0.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 0.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 0.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 26 1 0 0 0 0 3 14 2 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 5 21 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 23 1 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 25 2 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$