B89XOI -OEChem-04022113143D 57 60 0 0 0 0 0 0 0999 V2000 -0.8382 -4.8438 1.8330 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5162 1.8383 2.1022 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 -0.0434 -2.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7288 2.3273 -2.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 1.9075 -2.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8384 2.3917 2.3611 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 2.7130 2.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -0.4777 -0.5859 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 -2.5790 0.5921 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2730 1.0515 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8756 0.6506 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6322 2.4307 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 1.1774 2.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3879 0.0667 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2613 -0.0991 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 1.4590 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 -0.5328 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 -1.6365 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.2506 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 1.0842 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3294 -0.9076 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -1.6503 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1118 -0.4506 -1.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -2.7609 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 1.5192 -1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 -3.7670 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 0.1407 -1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 -3.6243 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 0.9968 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 0.8129 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 -0.3477 -1.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7501 0.5087 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -0.1638 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2463 0.5577 3.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6682 2.7133 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 3.2347 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5157 2.3995 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5081 1.4439 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2413 0.2305 2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8291 1.9488 2.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3845 0.4286 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3823 -0.0400 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 -0.9266 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9645 2.3840 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -1.1967 -0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 1.7218 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1636 -1.8295 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -2.8461 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7856 -4.6399 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 1.2013 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -0.8730 -2.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6815 0.6351 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7108 -0.5457 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 3.1881 -2.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 1.0228 4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 0.0653 3.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 -0.1549 3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 29 1 0 0 0 0 2 34 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 25 1 0 0 0 0 4 54 1 0 0 0 0 5 25 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 17 21 2 0 0 0 0 17 45 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 29 30 1 0 0 0 0 29 32 2 0 0 0 0 30 50 1 0 0 0 0 31 33 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$