BA65KF -OEChem-04022105012D 47 50 0 1 0 0 0 0 0999 V2000 4.4030 -2.6661 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 -0.1050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.1057 1.6315 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.7396 0.2654 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.7396 1.9975 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.5076 1.1315 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 -0.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5076 2.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6416 0.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6416 2.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7755 1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7755 2.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3736 0.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8816 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8816 2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9755 1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2396 1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9755 2.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1114 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6551 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6512 -0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3832 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1233 -0.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -1.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5153 0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2473 0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3871 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1182 2.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7196 2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2430 0.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 0.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 3.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2430 3.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9751 0.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7721 0.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8888 -0.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8888 3.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4398 2.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 0.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 -2.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9252 -1.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -1.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 0.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 17 1 0 0 0 0 4 17 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 29 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 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 16 19 1 0 0 0 0 18 40 1 0 0 0 0 19 27 3 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$