67035011 -OEChem-05102419213D 45 47 0 1 0 0 0 0 0999 V2000 5.6730 2.5194 0.1038 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8084 -2.8758 0.1072 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 0.3278 1.9694 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4819 -2.3079 -0.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 0.3291 -0.0933 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7118 -1.8319 -0.2502 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 -0.2856 0.1013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 -0.0812 0.4667 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2231 0.9427 0.1660 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8608 0.7480 -1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5783 0.3432 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 0.9022 0.1004 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4981 0.7064 -2.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4866 1.4858 -1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 0.5198 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -1.4881 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8226 -0.9024 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9955 2.2523 0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7891 -0.2520 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 -1.4423 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 0.9729 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8506 1.0077 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9108 -1.4076 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -0.1825 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -0.1988 1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 1.1794 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 0.1085 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2362 1.7772 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3865 1.0634 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 0.0890 1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 1.6661 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5567 1.1399 -3.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1632 -0.3317 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 1.5107 -1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 2.5271 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7125 -1.4341 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 -0.6392 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 2.0845 2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8027 2.9633 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0551 2.7282 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -2.7832 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 -1.1902 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9954 -2.3975 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9325 1.9234 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 -0.1553 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 41 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 24 45 1 0 0 0 0 M END > 67035011 > 0.8 > 1 83 94 145 29 143 158 135 159 137 88 106 8 148 4 24 95 127 146 75 72 166 108 93 18 76 156 71 164 155 50 90 79 112 17 110 141 109 103 52 147 142 64 151 69 73 96 66 91 87 122 121 115 7 82 11 92 3 144 67 128 80 57 22 47 81 35 48 55 120 100 84 60 36 119 2 152 153 114 59 43 77 136 138 129 131 38 104 58 125 27 23 54 118 16 126 165 107 70 160 86 42 26 37 85 40 44 154 49 134 157 133 63 39 111 10 28 105 5 149 132 150 56 6 12 30 14 65 139 62 45 34 13 41 162 117 101 20 113 68 32 116 21 61 19 123 53 74 25 167 163 98 99 161 89 102 46 33 51 168 9 140 130 78 31 15 97 124 169 > 24 1 -0.18 10 0.3 12 0.43 15 0.57 16 0.57 17 0.3 19 0.1 2 -0.18 20 -0.15 21 -0.15 22 0.18 23 0.18 24 -0.15 3 -0.57 4 -0.57 41 0.37 42 0.4 43 0.15 44 0.15 45 0.15 5 -0.66 6 -0.73 7 -0.87 8 0.36 > 5 > 8 1 3 acceptor 1 4 acceptor 1 6 donor 1 7 cation 1 7 donor 6 19 20 21 22 23 24 rings 6 5 10 12 13 14 15 rings 6 6 8 9 11 16 17 rings > 24 > 0 > 3 > 0 > 0 > 0 > 1 > 12 > 03FEDF8300000001 > 65.6461 > 40.596 > 10595046 47 18413108394013907320 11578080 2 13469312591142168779 12107183 9 17981049613226675112 12236239 1 18272653449950199833 12467345 10 18412828001395225009 12516196 113 18131067151487352128 12596602 18 18344148098282259737 12616971 3 17846486016427534140 12788726 201 17275113803462626784 12916754 54 18409446947816792330 13073987 5 18413390942553152520 13167823 11 18411417306586523402 13288520 33 18410575085269714439 13533116 47 18413952780806077578 13583140 156 17775280586323427609 13782708 43 17750231418521205930 14251764 18 18059860597541736875 14341114 176 18412548716646379736 14347332 77 17459741515809286730 15196674 1 18411418418877687810 15848702 151 18260266369099948157 15849732 13 18040716970573055463 15880784 105 18410295800441559858 17349148 13 14549016593831240577 17844677 252 18412269402428648120 17980427 23 18273221911096261773 1813 80 17095525097435940372 19141452 34 18334296483035506671 200 152 18342174462231026706 20028762 73 18342735175072080406 20511986 3 18337379521870795111 20645477 70 18335983082955341258 21065198 48 18343024384745931048 23402539 116 16950279594152956005 23522609 53 17972349260033021420 23536379 177 18412263917459732945 23557571 272 17458341914795401420 23559900 14 18270109240811612465 23569914 152 16524923445219149047 23569914 2 17691068956393735152 23569943 247 17606113979128438826 239999 70 18343305843265680070 3004659 81 18410294688435680042 314173 85 17240202131579669789 34797466 226 17774734155078256580 3633792 109 18261380171059559157 4073 2 18188214311839354586 4214541 1 18413108338300690745 4325135 7 18335138735044366564 5104073 3 18413386523532634000 559249 180 18340485552473634443 67856867 119 18193278709420484877 9971528 1 17967818258144614812 > 470.97 15.15 2.44 1.19 4.9 0.65 0.34 3.34 -1.89 2.32 -0.04 -0.69 -0.44 -0.54 > 977.59 > 267.5 > 2 5 10 $$$$