B0WHM9 -OEChem-04012113383D 85 87 0 1 0 0 0 0 0999 V2000 6.5124 -2.0992 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 -2.1770 -0.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 2.2570 0.9997 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.3493 -0.0419 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5709 -0.7209 1.0940 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7232 -1.0693 0.4535 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3274 0.2472 -0.5650 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8949 0.0025 0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2701 -0.3969 2.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0924 -0.8407 -1.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -0.8165 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 0.3167 -0.7156 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6230 -0.6913 -1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0399 -0.6688 -0.2023 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7440 1.1807 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 -2.2401 1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4432 1.3474 0.3384 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6889 0.3466 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0617 0.9364 1.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5536 -1.0652 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2851 0.7490 -2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -1.4504 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 -0.8868 -1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 2.7743 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0612 -0.9579 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5979 -1.2143 -0.1689 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9007 3.5905 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 0.2337 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7131 -2.3190 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8986 3.2824 0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4796 0.5128 -0.6338 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8941 1.9720 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 0.2146 -2.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -2.1497 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 1.2406 -0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0736 -0.9239 3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2432 0.6746 2.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 -0.2881 -2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -1.8944 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 -1.7273 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4046 -0.0236 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -1.6920 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8133 -0.3431 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 0.3945 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 1.5536 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 1.8014 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 1.4216 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0601 -2.8705 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -2.4177 1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3795 -2.6355 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 1.3877 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 0.1313 2.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1778 1.7713 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7736 0.1758 2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 -1.4865 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 -1.7885 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 -0.0801 -2.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3123 1.1199 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6257 1.5431 -2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9916 -2.5271 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -1.2328 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 -1.8855 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 -0.7768 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 -0.1324 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3845 -0.5773 -1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5008 -0.3008 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -1.5162 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9515 3.4769 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6693 4.6589 -0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 3.3263 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1258 0.4704 1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 0.9199 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5023 -2.7165 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3672 -3.0451 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 4.3140 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 2.7579 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5521 -1.8491 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2106 -0.1335 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3034 -1.8645 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2012 2.6648 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8997 2.1677 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7218 0.7562 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4739 0.5112 -2.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3898 -0.8540 -2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5177 1.6496 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 77 1 0 0 0 0 2 29 1 0 0 0 0 2 79 1 0 0 0 0 3 32 1 0 0 0 0 3 85 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 8 18 2 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 25 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 26 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 27 1 0 0 0 0 24 30 2 0 0 0 0 25 29 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 28 1 0 0 0 0 26 67 1 0 0 0 0 27 68 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 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 78 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 M END $$$$