B3W5BY -OEChem-04012116442D 85 92 0 1 0 0 0 0 0999 V2000 4.6178 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.3241 3.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2017 4.5496 0.0000 N 0 3 2 0 0 0 0 0 0 0 0 0 1.9742 8.0047 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5736 7.9960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 5.2863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 5.1374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7017 6.0884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3927 5.1374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7017 6.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8921 3.6050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3867 6.8732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1899 4.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 4.9052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8734 6.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 3.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 4.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 3.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 7.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 6.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7291 5.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0285 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 8.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 8.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 6.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 5.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 9.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 6.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1699 6.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 9.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 6.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 8.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 8.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 7.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6714 5.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0775 4.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7082 5.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4790 4.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1318 4.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5131 3.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1793 5.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 5.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 6.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 6.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 2.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 7.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1279 5.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7969 4.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 6.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 6.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 2.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 3.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8008 3.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 3.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 8.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 7.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 5.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 4.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 5.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 9.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3492 8.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9291 3.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 9.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9951 8.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 5.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 6.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 9.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 8.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6916 7.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 9.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 8.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6393 8.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 9.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0624 8.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 4.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 8.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9232 7.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0706 6.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 4.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 3.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 2 1 6 0 0 0 2 66 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 6 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 26 2 0 0 0 0 5 35 1 0 0 0 0 6 29 1 0 0 0 0 6 38 1 0 0 0 0 6 79 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 43 1 1 0 0 0 8 10 1 6 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 44 1 6 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 11 47 1 1 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 48 1 6 0 0 0 13 17 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 2 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 20 24 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 61 1 0 0 0 0 23 27 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 28 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 31 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 30 73 1 0 0 0 0 31 34 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 36 2 0 0 0 0 35 80 1 0 0 0 0 36 81 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 2 0 0 0 0 39 41 1 0 0 0 0 39 82 1 0 0 0 0 40 42 1 0 0 0 0 40 83 1 0 0 0 0 41 42 2 0 0 0 0 41 84 1 0 0 0 0 42 85 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$