2367376 -OEChem-04262403213D 32 33 0 0 0 0 0 0 0999 V2000 -3.7289 1.2135 -1.6924 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 0.3713 0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 0.9562 -0.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3479 2.1368 0.7655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3247 0.1599 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 1.0156 0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0761 0.3053 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -0.7872 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 0.2385 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1979 -0.4963 -0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8169 -1.5887 1.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6861 0.2203 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -1.4434 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2069 1.0471 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 -1.0168 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 0.7238 0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 -1.7644 -0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9371 -0.0237 0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0232 -1.2678 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 1.9953 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 1.1880 1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -0.9118 2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0939 0.0863 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3457 -0.7137 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -0.3828 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 -2.3266 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4417 -2.0676 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 -1.4252 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6992 1.6920 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0052 -2.7305 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 0.3632 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9378 -1.8491 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 11 13 2 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 2367376 > 0.8 > 1 67 8 76 173 182 143 50 193 30 26 221 83 165 52 124 78 29 45 168 6 122 183 154 42 86 114 103 205 4 190 160 14 151 16 82 142 47 116 200 222 147 132 2 108 126 203 25 139 178 113 62 227 37 19 161 87 156 111 9 146 31 125 92 109 59 3 218 198 210 28 209 169 163 73 107 96 106 24 43 79 27 117 175 206 99 144 105 85 41 184 36 177 80 66 189 97 60 213 157 35 179 150 149 138 51 84 164 102 49 127 159 140 13 128 34 70 135 65 148 94 90 195 166 68 33 181 46 207 204 56 130 57 152 10 129 38 95 131 22 214 39 224 208 192 81 101 91 61 199 191 196 123 64 155 100 121 202 174 217 225 88 216 75 17 104 158 77 167 141 120 136 162 201 5 153 7 98 21 118 133 55 119 23 171 40 63 89 115 54 12 18 44 20 211 170 48 11 58 220 187 194 110 215 15 188 186 172 223 71 112 176 212 93 72 134 185 197 180 137 226 53 69 219 32 145 74 > 28 1 -0.19 10 -0.15 11 -0.15 12 0.08 13 -0.15 14 0.66 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.43 22 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.36 30 0.15 31 0.15 32 0.15 4 -0.57 5 -0.14 6 0.42 7 0.19 8 -0.15 9 0.34 > 6 > 4 1 3 acceptor 1 4 acceptor 6 12 15 16 17 18 19 rings 6 5 7 8 10 11 13 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00241F9000000001 > 47.7833 > 20.305 > 10354089 29 13039188108905673058 10447042 23 18411416203164842318 10803635 8 17675921002071613859 10912923 1 16056875845025558288 11315181 36 18408324397631337625 11796584 16 18113615690035840186 12516196 113 18131068246798945080 12596602 18 16128659647767944330 12616971 3 16773794826689515616 13544653 18 18201725041490487336 13668630 136 18410294713519856846 13685833 64 18412548734253335147 13862211 1 18344145899327666646 1420 363 18342461443408701038 1420 369 18273221880482253446 14251751 18 18187088398499158695 14341114 176 12751250210940934082 14341114 328 15123792885709552842 14528608 73 11891335382566639978 146900 427 16773510079617353184 14848160 23 18409165511099245946 14849402 71 15625645242061428714 15183329 4 13984660339505335778 15716309 27 17489588960908198894 17844677 252 17894916234623287236 17857418 61 18060699502536917359 17870717 6 17749111093407748435 1813 80 17703523150201636381 18222031 100 17822015298582727484 19377110 9 16774080682864755640 193927 3 18339936951752410110 19489759 90 17530682100089768015 19784866 170 10807942565384360785 200 152 18272931609191117377 20281389 69 10087644783977031958 20645477 70 18408325510207065880 21150785 3 16298395694575243806 21267235 1 17988931033920048366 21623969 137 18201721751909503222 22061861 79 18333448750621678950 22289505 5 11386368154163449750 2297311 6 17385444345703213719 23198884 109 15213019358236874731 23402539 116 18130788927848474033 23402655 69 12324248282421006000 23559900 14 17968935422235851981 25122255 55 18409176501694216266 2916195 48 9799683792711529934 293599 30 8718826483565464536 29717793 49 18040999552765215540 3004659 81 17967254204679685398 314194 84 18060698411757421558 465052 167 18131073732078720190 5104073 3 17916586428222996010 5718773 13 18268146647122005271 59682541 35 18201990046512219690 633830 44 10737290181725023600 960060 61 15791734092450486570 > 366.13 16.87 1.66 1.13 6.26 0.08 0.06 7.94 0.01 0.18 -0.1 -1.2 0.05 1.28 > 777.482 > 203.8 > 2 5 10 $$$$