B5WEG3 -OEChem-04022102312D 82 87 0 1 0 0 0 0 0999 V2000 5.1823 -0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0483 -1.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7311 0.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5321 1.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7922 0.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4068 2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -1.8152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1473 1.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1718 2.5936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8018 2.3056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -2.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 -4.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -4.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -4.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 -3.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -3.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -3.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 -5.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -4.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6432 -4.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0483 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0483 1.1848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9492 1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 3.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5483 3.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1467 2.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 2.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8269 2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5691 5.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 3.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 5.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 3.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 2.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4820 1.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4569 1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1371 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1120 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7671 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 -4.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -5.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -3.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -2.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -3.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -2.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8694 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 -5.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -5.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9463 -5.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6862 -5.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -4.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -5.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 -1.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2603 -0.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6589 0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6675 3.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9059 3.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 4.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 4.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8812 5.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0768 4.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 1.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 5.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9845 2.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 4.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 1.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 3.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9612 1.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 1.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6396 2.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9543 0.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9051 0.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3716 0.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6291 1.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 24 2 0 0 0 0 4 32 2 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 43 2 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 7 60 1 0 0 0 0 8 23 1 0 0 0 0 8 25 2 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 9 28 1 0 0 0 0 10 32 1 0 0 0 0 10 40 1 0 0 0 0 10 72 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 45 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 23 22 1 1 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 36 1 0 0 0 0 31 67 1 0 0 0 0 33 36 2 0 0 0 0 33 68 1 0 0 0 0 34 37 1 0 0 0 0 34 69 1 0 0 0 0 35 38 2 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 37 39 2 0 0 0 0 37 73 1 0 0 0 0 38 39 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 40 41 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 42 2 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 42 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 M END $$$$