BU91JK -OEChem-04042105243D 82 86 0 1 0 0 0 0 0999 V2000 2.7535 5.4400 1.5573 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 5.1223 -2.6007 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9053 -1.9765 0.4133 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 -2.2597 -1.5839 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 3.3308 -3.6103 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6006 -3.0797 -0.6443 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4357 -2.8248 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2735 -0.5734 0.4896 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0992 -2.4875 0.0337 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2457 -1.9930 1.2479 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 -0.8449 -0.2921 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 0.0512 -0.6349 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6348 -1.5904 -2.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -1.0931 -0.6112 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9163 -1.4123 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 -0.6154 -3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 0.4655 0.3398 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1425 -2.0824 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 -1.6758 -0.0133 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7109 0.7287 0.5716 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3987 -0.5591 1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2436 -1.9432 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 -1.3395 -1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 1.6422 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -2.7273 1.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8826 -2.9538 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9642 1.8622 1.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8458 -2.7022 2.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 -1.9341 3.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8186 -4.1728 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 -1.0626 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 1.9612 -1.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 2.3985 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 3.0001 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 1.7605 2.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 3.0364 -2.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9969 3.4735 -0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 4.0361 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 2.7965 3.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5652 3.7925 -1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 3.9345 3.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 -1.2143 -1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -0.0378 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 -1.6313 -1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -2.0458 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.5361 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -0.1526 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 -2.2092 -3.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7358 -0.8499 -2.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7703 0.4458 -2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 -0.8811 -4.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 0.3863 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 -3.1201 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 -1.8485 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 1.0323 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 -0.3762 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 -0.8983 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 -0.4765 -1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 -2.1650 -2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -3.3427 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8899 -2.7792 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -3.7546 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3481 -3.2456 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2325 -1.6769 2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 -3.1647 3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5793 -2.0990 3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -0.8566 3.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0637 -2.2465 4.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2286 -4.7523 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 -4.2362 1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1167 -4.6806 2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 1.3782 -2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 2.1617 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 3.0814 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 0.8835 3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 4.0537 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 2.7171 4.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 4.7338 4.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8171 0.7965 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3222 -2.4715 -1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8006 -0.7957 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4877 -2.7516 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 40 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 31 1 0 0 0 0 4 42 1 0 0 0 0 5 36 1 0 0 0 0 6 22 2 0 0 0 0 9 45 1 0 0 0 0 9 82 1 0 0 0 0 10 45 2 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 12 31 2 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 47 1 0 0 0 0 15 16 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 20 1 0 0 0 0 17 24 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 23 31 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 32 2 0 0 0 0 24 33 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 34 2 0 0 0 0 27 35 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 32 36 1 0 0 0 0 32 72 1 0 0 0 0 33 37 2 0 0 0 0 33 73 1 0 0 0 0 34 38 1 0 0 0 0 34 74 1 0 0 0 0 35 39 2 0 0 0 0 35 75 1 0 0 0 0 36 40 2 0 0 0 0 37 40 1 0 0 0 0 37 76 1 0 0 0 0 38 41 2 0 0 0 0 39 41 1 0 0 0 0 39 77 1 0 0 0 0 41 78 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 79 1 0 0 0 0 44 45 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 M END $$$$