B9K3NX -OEChem-04042107463D 85 89 0 1 0 0 0 0 0999 V2000 -6.8013 -0.8939 -0.0977 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -0.0418 -3.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -0.4573 -2.5064 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0037 -0.4749 1.2767 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8183 -1.6813 -0.7679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -3.1947 1.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2055 3.2595 1.4832 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3985 0.4837 -1.0505 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 -4.8263 0.2879 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 -3.9985 -0.2247 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 2.5182 0.3252 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7273 1.7425 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 1.4893 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 2.0333 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 3.5381 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0769 2.4093 2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 1.1979 -1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 3.8907 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9546 0.7617 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 0.4643 -2.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6694 0.2521 -1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 3.1522 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 4.9575 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 3.4806 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 5.2859 1.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 4.5476 1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9629 2.7147 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -4.2082 1.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 -3.2965 0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 2.1172 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9979 2.5744 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -4.0344 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4671 -3.4513 1.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6151 -4.9723 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2352 1.2388 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 1.3792 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1341 1.8365 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 -2.5999 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2916 -1.8167 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -3.9300 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9118 -3.2712 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0736 -2.7566 -1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3197 -1.6042 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 -3.4838 -1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 -2.3315 0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9649 1.7614 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 2.9160 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8942 1.2881 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 3.1784 -1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 4.4462 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3762 2.9514 3.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 1.5124 2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 3.5812 2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 1.3181 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 0.6011 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 2.3063 -0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 5.5515 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 6.1228 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 4.8602 1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 0.2051 -3.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -0.5116 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 -5.2531 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -3.9820 2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -2.2511 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 -3.5126 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -2.9945 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -4.2163 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 2.2243 -2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9534 3.0009 1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7752 -4.5030 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 -3.1930 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 -6.0153 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -4.7924 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2707 0.9216 -2.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 1.7664 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5816 0.4008 -2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5217 -2.7931 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6961 -2.8211 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3407 -1.5369 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 -5.3937 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8148 -2.9319 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4682 -0.8832 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -4.6649 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7263 -4.2117 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -2.1113 1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 20 1 0 0 0 0 2 60 1 0 0 0 0 3 21 1 0 0 0 0 3 61 1 0 0 0 0 6 40 2 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 53 1 0 0 0 0 8 35 1 0 0 0 0 8 76 1 0 0 0 0 9 34 1 0 0 0 0 9 40 1 0 0 0 0 9 80 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 83 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 23 25 2 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 33 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 36 1 0 0 0 0 30 68 1 0 0 0 0 31 37 2 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 38 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 42 44 1 0 0 0 0 42 81 1 0 0 0 0 43 45 2 0 0 0 0 43 82 1 0 0 0 0 44 84 1 0 0 0 0 45 85 1 0 0 0 0 M END $$$$