B8K5NG -OEChem-04022100532D 53 56 0 0 0 0 0 0 0999 V2000 8.9282 -4.2306 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 0.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 0.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5516 1.3854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 0.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -2.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9474 2.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3651 3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7718 4.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7663 4.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 -0.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -2.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -2.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7901 -1.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -3.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -3.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1872 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3118 2.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7485 3.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9707 3.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4074 4.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0185 4.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 43 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 24 46 1 0 0 0 0 25 28 1 0 0 0 0 25 47 1 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 27 30 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$