73604009 -OEChem-04252416543D 63 65 0 1 0 0 0 0 0999 V2000 2.6462 0.8368 -1.5072 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2175 -0.0666 0.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -0.3645 -0.4333 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 -0.4704 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 -0.1162 -1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0173 0.2821 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 -0.6433 0.1211 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9960 0.3409 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 0.7928 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7644 -1.3415 -1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.5483 -0.1106 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4937 0.4470 0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 -1.6170 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1259 1.1105 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6004 -0.9599 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 1.5895 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6265 -0.8997 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2944 1.3863 0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -1.0959 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2271 1.4762 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7025 -0.5909 1.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9162 0.1488 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7981 0.2399 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -1.0334 1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 -1.0541 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 -0.9664 -1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 0.6989 -1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5686 0.9175 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -1.4966 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 0.1841 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 1.3767 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 1.4411 -0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 -0.8448 -2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 -2.2946 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 1.4474 0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 1.3918 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 -0.0601 1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -2.2590 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 -2.1893 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5635 0.5472 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7052 2.0306 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8246 -1.5138 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 -1.6447 -0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4261 2.4503 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8528 1.8442 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 -0.8195 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0775 -1.8080 0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 1.2954 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8914 2.2727 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -1.3478 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 -1.9564 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0291 2.0116 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8241 2.1613 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 -0.0264 2.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1378 -1.5031 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0201 0.3026 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5354 0.5433 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3280 -0.3755 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -1.7845 1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4122 -1.4964 1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 -0.1715 2.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 0.9802 -1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7424 0.7330 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 62 1 0 0 0 0 2 22 1 0 0 0 0 2 63 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 28 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 20 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 M END > 73604009 > 1 > 1 18 151 214 253 267 238 234 125 88 75 140 97 274 265 193 28 203 221 74 82 52 183 14 219 175 277 155 169 159 239 98 30 200 46 110 106 73 186 58 276 15 124 31 135 68 275 197 204 191 261 210 148 181 185 77 259 8 146 129 251 131 137 230 90 220 132 263 184 152 47 134 87 56 60 211 29 270 128 262 272 93 177 10 232 215 208 205 139 21 55 266 35 249 231 171 223 141 118 240 69 114 176 213 228 53 222 25 101 50 116 91 229 157 64 104 254 100 247 209 173 144 16 248 264 199 4 12 103 227 71 182 26 165 7 109 11 236 257 9 54 48 187 119 174 256 34 156 84 243 13 278 107 70 23 94 244 37 206 113 79 235 138 207 72 61 250 189 194 279 153 121 78 36 142 57 95 136 190 170 150 143 233 49 105 27 115 126 242 188 195 38 271 86 130 218 212 268 6 245 108 252 32 83 133 44 24 166 120 66 281 96 192 224 154 17 201 255 89 160 85 273 172 145 117 41 123 162 149 111 241 168 62 225 102 147 158 40 99 80 179 43 216 2 19 20 246 81 163 122 226 112 258 167 161 76 217 42 45 269 196 5 237 260 92 51 180 67 3 202 39 198 164 63 127 178 33 65 59 22 280 > 10 1 -0.68 11 0.28 12 0.27 13 0.27 2 -0.68 22 0.28 3 -0.81 62 0.4 63 0.4 7 0.27 > 8.6 > 8 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 cation 6 3 4 9 10 12 13 rings 6 6 14 15 20 21 23 rings 6 8 16 17 18 19 22 rings > 24 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 04631BA900000001 > 39.3662 > 40.596 > 10 15 18410577288835915643 106641 1 15285360643670825044 10670039 82 15267064714740558739 11089746 13 15554724469842356387 11315181 36 15195562433903375943 11524674 6 17022906765780172651 11646440 116 18114181943120155964 11796584 16 17489304235496177998 11963148 33 14345789482839285913 12091667 2 18411134741257532975 12166972 35 14418138426162858247 12236239 1 18409726274655824878 12516196 113 15791731897268452965 12616971 3 18187364380460248047 12730499 353 17967248681352256410 13533116 47 16701743748797581654 13914758 101 12535354484551921987 14251752 14 17917991659422164601 14251764 18 17203325624470877871 14251764 46 16877662362182570699 14849402 71 17168718555710652012 14933364 13 18335420162164584877 15183329 4 14548740599438229019 15461852 350 18059565907240716413 15716309 27 14129058115049240933 1577012 14 18202275931412826254 15849732 13 18335139795389546924 15927050 60 18412822499733289839 17093844 174 17417807375007903991 18006028 8 11963389648142284471 18335252 114 18272078392458039261 18608769 82 17458346359537802946 20238998 120 12175620676881779962 20281389 69 18343862225385781169 21095086 128 14129052600675282264 21150785 3 10519987058591706953 21267235 1 18333733499128262604 22079108 93 17675922122820473914 22224240 67 15936410052525117592 22956985 138 14564467919451941064 23402539 116 17703781553024833892 23559900 14 16701726263542218130 23576562 1 14763483011150352416 246663 6 15213019341072693442 249057 3 18060419140663540124 3009799 131 13470689252160673618 3178227 256 18341621429510079425 328311 84 18186520986660116922 3545911 37 18113052740377759042 4073 2 18188490293695604058 4093350 32 18410570652880036890 4325135 7 17418375787853705776 4340502 62 17676206866304480155 465052 167 12973605529947782642 4938544 92 16443616897576625069 5104073 3 17096633323784610961 5758199 1 17603304851546679763 59682541 35 16660369207400167801 5969126 39 11458416951897781375 59755656 520 18113611317727958226 6328613 192 17132112485143107641 7226269 152 17489588965762108345 9953998 17 17821732733053491273 > 477.19 23.51 1.44 1.19 2.03 0.05 -0.08 5.75 -5.37 -0.23 0.11 1.07 -0.22 0.24 > 961.764 > 277 > 2 5 10 $$$$