B4BDZ3 -OEChem-04012117542D 59 63 0 0 0 0 0 0 0999 V2000 2.0000 2.2279 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.7479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9994 -3.3357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1904 -1.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -1.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.7479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 4.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 4.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -2.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3814 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6904 -4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6904 -4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 4.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 2.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9214 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 4.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 4.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 4.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 4.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 4.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 1.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 4.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 -0.4379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7917 -3.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3260 -4.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0548 -4.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 3 38 1 0 0 0 0 6 34 2 0 0 0 0 7 22 2 0 0 0 0 7 23 1 0 0 0 0 8 34 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 17 2 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 40 1 0 0 0 0 15 24 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 42 1 0 0 0 0 17 25 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 26 2 0 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 20 27 1 0 0 0 0 20 29 1 0 0 0 0 21 30 2 0 0 0 0 21 46 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 23 31 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 32 2 0 0 0 0 29 52 1 0 0 0 0 30 34 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 57 1 0 0 0 0 37 38 2 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 M END $$$$