119584 -OEChem-04242409233D 54 56 0 1 0 0 0 0 0999 V2000 5.9248 0.9749 1.6457 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 -4.4217 0.1827 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5313 2.9962 -0.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 2.3164 1.9306 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 0.0934 -1.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 0.1697 0.1148 N 0 0 2 0 0 0 0 0 0 0 0 0 0.0546 2.2473 -0.2589 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -0.9445 -0.6923 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 2.1788 -0.4084 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4637 0.9051 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8653 1.0325 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7305 2.2996 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 2.9979 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7986 -1.0487 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6102 -1.9520 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 -2.9123 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -1.8112 1.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9565 1.9617 0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1686 1.1954 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5394 -3.7495 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 -2.6485 1.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 -3.6177 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 0.3012 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 1.4092 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 -0.4088 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 0.6987 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 -0.2101 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0995 -0.2772 -2.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 0.2243 -3.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 1.9203 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 1.1627 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 0.3138 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7821 0.5081 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9528 1.3049 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 2.9701 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 2.0768 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2101 3.3574 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0952 3.8902 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7077 -1.5991 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -0.8177 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 1.9835 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -3.0221 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -1.0704 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5532 -4.5034 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 -2.5468 2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 2.1216 1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -1.1467 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 -1.3690 -2.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 0.1696 -3.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 -1.5981 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 -0.8119 -0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 -0.1732 -3.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0718 -4.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 1.3157 -3.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 18 2 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 27 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 21 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END > 119584 > 1 > 1 41 160 156 145 180 169 108 152 29 50 15 130 101 142 155 73 39 107 137 117 173 190 111 119 35 128 36 20 46 181 104 164 86 94 40 144 118 19 63 205 23 96 2 110 178 197 171 47 71 87 67 121 92 163 79 146 175 64 70 138 4 185 139 31 61 80 37 51 90 112 106 53 6 213 56 34 193 81 174 135 88 212 32 210 140 198 22 116 196 206 129 148 93 150 177 124 170 12 72 136 176 132 55 78 48 52 10 133 18 161 194 105 38 82 143 165 54 204 45 153 149 209 166 74 3 13 27 77 214 189 158 179 115 17 187 203 201 83 123 49 125 30 24 109 100 65 14 202 216 9 95 120 167 207 75 62 68 113 159 215 89 16 127 103 11 21 147 57 188 97 154 69 59 151 172 8 183 84 195 182 99 208 114 60 28 126 131 43 42 157 91 186 98 211 122 58 162 199 134 184 66 85 33 5 76 102 191 26 141 25 200 7 168 192 44 > 37 1 -0.18 10 0.27 11 0.27 12 0.28 13 0.3 14 0.41 15 -0.14 16 -0.15 17 -0.15 18 0.54 19 0.09 2 -0.19 20 -0.15 21 -0.15 22 0.19 23 0.08 24 -0.15 25 -0.15 26 0.18 27 0.1 28 0.28 3 -0.56 4 -0.57 41 0.37 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 5 -0.36 50 0.4 51 0.4 6 -0.81 7 -0.73 8 -0.9 9 0.28 > 9.2 > 10 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 donor 1 8 cation 1 8 donor 6 15 16 17 20 21 22 rings 6 19 23 24 25 26 27 rings 6 3 6 9 10 11 12 rings > 29 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 0001D32000000001 > 86.7394 > 50.746 > 11014199 57 17689437508902302578 11200772 71 18043274498838349460 11370993 70 18335139739449515589 11828532 37 17973724976902734387 12166972 35 17316469906444605919 12422481 6 17532641344027475706 12522641 24 16461059283199245557 12553582 1 17255128264562967793 12633257 1 18056496159862522475 13402501 40 18342461443239785737 13583140 156 17773873280575991450 13726171 33 17685261413511359549 14251757 5 18191607421828583126 20397935 3 18047496665858309757 20511986 3 17386274463570535144 20600515 1 18339374019053516805 20764821 26 18265628752223465351 23559900 14 18339653239651697964 3052486 1 18260832622009788160 3298306 158 18337948966257847217 35225 105 17899941028547468327 5080951 261 17825636024891078848 508706 21 18340766047781219483 5265222 85 18262818344794876252 57307002 85 17701006299977467956 602551 16 18335701654732803440 > 558.85 9.72 4.58 2 7.98 3.59 1.83 -3.42 -2.54 -4.55 -0.74 1.07 -0.03 1.41 > 1175.672 > 316 > 2 5 10 $$$$