BBE4P1 -OEChem-04022102163D 39 39 0 1 0 0 0 0 0999 V2000 -0.3983 -3.5869 0.9544 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 0.1843 -2.5958 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 1.2948 2.3375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 1.8752 -0.8092 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 0.9089 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 1.2008 -1.4592 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6467 1.4589 1.1355 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2244 1.9182 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 2.6631 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6918 0.1540 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 0.0673 -0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 -0.9759 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 0.0777 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -1.1493 -1.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 1.0105 -1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1281 -2.1925 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 -1.3214 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7474 -2.2791 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 -1.3086 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1334 2.2836 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 1.0834 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 2.6017 2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 3.5525 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4793 3.0238 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 1.9604 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -0.9228 1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 0.5862 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 0.0215 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 2.1532 2.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 -1.2307 -2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -1.8455 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5764 -1.8978 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 1.4131 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 -3.2203 -1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 1.0979 -2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 2.1209 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -0.7840 2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.8233 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 -2.3337 2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 3 29 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 25 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 6 11 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 34 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END $$$$