BB3CK6 -OEChem-04022100162D 49 52 0 0 0 0 0 0 0999 V2000 4.5981 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -2.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.0242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -2.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4660 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 -0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 0.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 -2.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -2.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0623 -0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 -1.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4684 0.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8682 -0.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 3 14 2 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 11 2 0 0 0 0 7 22 1 0 0 0 0 8 19 1 0 0 0 0 8 22 2 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 25 39 1 0 0 0 0 26 30 2 0 0 0 0 26 40 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 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$