24817149 -OEChem-04192413453D 58 61 0 0 0 0 0 0 0999 V2000 -6.1101 -1.8681 0.8798 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 3.7100 0.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3478 -0.8271 1.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 -0.4002 0.4823 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2698 0.0199 0.0168 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 1.3233 -0.3563 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 -1.7147 -0.6777 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6685 -1.5525 -0.1499 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -2.9243 -0.2118 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1959 -2.8193 0.1091 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 -0.2128 1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -0.2574 -0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 -0.6752 1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 0.5679 -0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 -0.7066 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 -0.8889 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -1.2169 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 0.1851 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 1.6857 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 2.5362 -1.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6131 0.5170 -1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 -1.4309 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -0.8861 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 2.5359 1.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 3.3672 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5399 -0.7776 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0917 1.3157 -0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9049 -0.6098 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4567 1.4836 -1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3633 0.5208 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 -0.7468 2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3834 0.8577 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 0.1999 -1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 -1.2726 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 -0.4756 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 -1.7560 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6468 0.5608 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0576 1.6073 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 0.0406 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 -1.6944 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -0.4150 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -2.1223 0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 2.2526 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 0.7904 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 2.2719 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1954 3.1349 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3703 0.5036 -2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6161 0.9592 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2192 -0.5627 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 -2.3054 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4968 2.8563 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 1.9751 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 2.8342 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 4.2997 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4138 2.0917 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6106 -1.3594 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8144 2.3656 -1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4263 0.6519 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 23 2 0 0 0 0 9 10 2 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 22 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 26 1 0 0 0 0 18 27 2 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 M END > 24817149 > 1.2 > 2 117 15 142 36 63 125 138 75 31 130 88 93 119 137 102 154 90 157 114 141 94 62 71 91 57 44 148 87 11 156 43 58 41 147 146 122 79 25 9 61 100 40 69 42 151 21 96 153 8 97 78 149 139 99 133 46 143 24 103 126 101 76 38 83 135 134 27 131 106 16 5 81 51 104 77 39 112 132 136 28 150 86 4 124 128 53 52 89 152 12 55 70 111 109 68 37 72 107 60 1 65 140 105 120 48 108 19 95 85 20 118 3 64 129 34 22 82 18 47 145 116 123 115 29 80 73 121 10 59 35 155 50 7 30 56 110 14 23 113 17 74 6 13 92 26 54 66 127 67 144 32 84 98 45 49 33 > 32 1 -0.19 11 0.3 12 0.3 13 0.37 14 0.37 15 0.57 16 0.06 18 0.1 19 0.27 2 -0.56 20 0.27 21 0.45 22 0.26 23 0.01 24 0.28 25 0.28 26 0.19 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 -0.15 4 -0.66 5 -0.84 55 0.15 56 0.15 57 0.15 58 0.15 6 -0.81 7 0.31 8 -0.34 9 -0.42 > 10.4 > 9 1 2 acceptor 1 3 acceptor 1 5 cation 1 6 cation 3 7 8 23 cation 5 7 8 9 10 23 rings 6 18 26 27 28 29 30 rings 6 2 6 19 20 24 25 rings 6 4 5 11 12 13 14 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 017AADFD00000002 > 68.7264 > 45.675 > 10162869 55 18201428199110223038 10638233 991 17560804346736169265 10763959 59 18187369852201616644 11828532 37 17676780850076013386 11991303 11 17774998038148680679 12107698 1 18341612564355013485 13533116 47 18342178890638071572 13617811 41 15123513614246438921 13878862 14 18410844478487903116 14556957 393 17489597740586770049 15183329 4 16773800324606376705 15419008 47 18040432161948018812 18335252 114 18411411787289732764 20157964 124 18342740736832039268 20554085 129 17022617576772841449 21033648 29 17895472630872995020 21344244 78 18194386807442234178 23424782 7 18336267950782402363 23522609 53 15984285018271796307 23559900 14 17531254966885526326 249057 25 17775014461681055217 249057 3 18272652346798129134 3044373 193 18409735087902394676 397830 11 18263086672882338763 4066623 53 18201716228355318240 4073 2 17822300131512168427 44317340 157 18413105091162717375 44555599 121 18200323121780013265 4625314 4 18410853257891601319 4760202 170 18339348705265523045 59682541 52 18343864411423622296 > 563.51 24.26 3.12 1.37 29.48 1.83 -0.39 -0.04 4.63 -7.76 -0.22 -0.25 0.35 2.44 > 1180.229 > 318.9 > 2 5 10 $$$$