15983957 -OEChem-03292408023D 23 22 0 1 0 0 0 0 0999 V2000 0.6795 -1.2726 -0.2149 P 0 0 2 0 0 0 0 0 0 0 0 0 2.7198 0.8827 0.0195 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -1.0263 -0.1322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1899 0.2683 -0.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -1.7362 -1.6073 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0941 -2.0716 1.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 2.3795 0.2313 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2935 0.5152 -1.3449 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3826 0.1655 1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -0.4254 0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 -0.5848 1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 0.6059 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9227 2.0132 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1584 0.2867 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4397 -1.3999 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 -0.1396 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 -1.3361 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 0.3518 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3668 2.7142 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1977 2.3510 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8357 2.0793 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 -0.7266 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 1.0314 -1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 11 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M CHG 3 5 -1 7 -1 8 -1 M END > 15983957 > 0.6 > 1 55 77 37 35 83 80 28 120 40 66 111 107 67 97 57 91 118 90 13 85 82 23 123 41 50 93 22 101 63 8 78 98 79 9 68 116 69 84 89 44 92 110 21 51 106 2 56 65 105 25 39 43 124 62 36 38 96 20 58 108 42 95 10 122 17 73 88 99 30 5 113 60 59 102 64 104 109 7 112 3 71 87 12 19 72 70 49 86 94 26 81 61 75 31 115 76 103 46 15 100 33 117 32 52 14 119 53 74 27 34 6 18 16 24 121 4 29 114 48 54 11 45 47 > 16 1 1.44 10 0.14 11 0.28 12 -0.28 13 0.14 14 -0.3 2 1.37 22 0.15 23 0.15 3 -0.55 4 -0.54 5 -0.95 6 -0.95 7 -1.03 8 -1.03 9 -1.03 > 6 > 6 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 2 7 8 9 anion > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00F3E55500000001 > 13.7649 > 30.501 > 11615756 56 18411136948174916881 12162725 195 18337103463290956537 13618510 140 18335143106735757997 13705890 14 12247683764208342746 170605 34 18412546513459850263 18186145 218 17917725624900258282 20231682 184 18413100667299182967 20233049 118 18335148609121789772 20281407 28 9151178644736055323 20281475 54 9079118868839105161 20671657 53 17342963454763782646 21524375 3 18271523207889495234 21947302 44 18336546019390656619 22096605 113 18411412912992910203 230 275 18187655669352904799 23557571 272 18263098728934672579 351380 180 18336816554911902825 58051976 378 18273206504810823759 8050 44 18261108556837499917 > 254.73 7.14 2.05 1.26 2.23 0.37 0.22 3.25 0.78 -0.78 -0.08 -0.13 -0.36 0.28 > 459.093 > 164.2 > 2 5 10 $$$$