B5DCY2 -OEChem-04012112342D 81 84 0 1 0 0 0 0 0999 V2000 4.4374 1.3869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 0.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.0268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 2.9831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 -1.4677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -5.9677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 4.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 2.6741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0121 4.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 4.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 3.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 5.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 3.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 6.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 1.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 0.0323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1097 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9406 -0.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6097 0.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -2.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 -3.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 -3.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -4.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 -4.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 -4.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 2.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 3.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 3.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 2.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0984 4.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6318 4.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 5.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 4.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 4.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 4.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 1.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 2.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7949 5.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5486 6.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4396 6.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 5.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 4.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 3.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 1.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 1.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 6.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1858 6.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 2.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 1.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0081 2.5683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 3.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 1.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 -0.9114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -0.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0246 -0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1113 0.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -2.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 -3.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -2.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 -2.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -3.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0829 -1.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 -2.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -5.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -5.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 -4.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -4.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 -5.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6979 -1.7777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -6.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8319 -6.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 27 2 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 10 4 1 1 0 0 0 4 59 1 0 0 0 0 4 60 1 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 5 79 1 0 0 0 0 6 31 1 0 0 0 0 6 80 1 0 0 0 0 6 81 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 36 1 0 0 0 0 10 21 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 1 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 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 29 1 0 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 28 32 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 33 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 M END $$$$