70486370 -OEChem-04252411233D 43 44 0 1 0 0 0 0 0999 V2000 -1.2972 1.0259 -1.1676 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0372 0.5479 -0.7137 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 3.2944 1.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0199 -1.8217 1.2949 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 -0.3460 0.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4649 -2.9072 -0.9902 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -1.3387 -2.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -3.6369 -0.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4715 1.4579 1.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 0.4976 0.1797 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 1.6677 -0.0539 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3137 -0.8350 -0.0507 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2135 2.3336 -0.7227 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1879 -0.6517 -0.3833 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9602 1.0185 -0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 3.5696 -0.1209 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6159 -1.7510 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -0.6939 0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -1.6354 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 4.0284 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 -2.8185 0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 0.7601 0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -2.7719 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3612 1.0061 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3578 2.1165 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 -1.2270 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0712 2.4771 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 4.3866 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 -2.7464 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 -1.3345 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7731 -0.0578 1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 -1.7085 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 4.2570 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 4.9228 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 3.2629 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 3.1378 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -3.5657 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5368 -1.8108 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6283 -3.5680 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -2.9278 1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 1.1805 -0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 1.8944 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0077 0.1506 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 15 2 0 0 0 0 3 16 1 0 0 0 0 3 36 1 0 0 0 0 4 17 1 0 0 0 0 4 21 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 6 19 1 0 0 0 0 6 37 1 0 0 0 0 7 19 2 0 0 0 0 8 21 2 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > 70486370 > 1 > 4 117 187 191 144 106 19 172 179 99 189 109 5 10 184 156 107 186 180 81 178 13 53 94 120 7 142 161 63 198 128 66 165 15 147 183 43 148 145 143 58 69 11 17 67 76 105 164 133 39 194 122 168 56 162 51 41 103 173 48 155 174 163 85 166 25 119 33 24 77 152 75 118 136 55 177 199 138 88 62 79 2 188 68 197 98 167 159 18 110 91 101 185 14 192 20 196 54 37 158 96 83 181 160 38 175 130 9 80 47 34 90 100 102 182 108 97 46 121 74 92 190 42 153 57 132 129 73 116 72 29 26 45 115 171 114 6 112 61 27 137 70 135 111 95 89 195 52 59 134 32 127 150 21 64 149 60 154 78 8 84 86 176 12 82 146 123 30 22 140 131 126 141 169 28 65 139 44 93 87 200 3 170 49 193 125 36 104 16 35 1 50 157 151 31 23 71 113 124 40 > 25 1 -0.45 10 -0.59 11 0.44 12 0.3 13 0.05 14 0.29 15 0.58 16 0.28 17 0.28 18 0.28 19 0.66 2 -0.57 21 0.66 22 0.66 23 0.06 24 0.06 3 -0.68 36 0.4 37 0.5 4 -0.43 5 -0.43 6 -0.65 7 -0.57 8 -0.57 9 -0.57 > 8.8 > 10 1 2 acceptor 1 3 acceptor 1 3 donor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 6 7 19 anion 4 10 11 13 15 rings 7 1 10 11 12 13 14 15 rings > 24 > 1 > 4 > 0 > 0 > 0 > 1 > 2 > 0433896200000004 > 52.2764 > 54.554 > 10756046 70 18272081682845625567 10906281 52 17329713119910433541 12173636 292 17759816122708603629 12553582 1 18337944581265569286 12788726 201 17755877311660881298 12930653 34 17973459977040094347 13134695 92 18191031114453005085 13140716 1 18265615570684497320 133893 2 17970882639694859690 13583140 156 18262253195860514243 14178342 30 18051123988919740704 14787075 74 17823996540820724458 14790565 3 18190474942095906732 14955137 171 18339085860922849642 15534591 1 18054236698101584733 15849732 13 18129654180546462799 16945 1 18263629796733614420 17980427 26 18339920545093969228 1813 80 18197219135502647662 18785283 64 18114470053757710648 192875 21 18199463265232586833 20723712 36 18056767520433798531 20739085 24 18124888862527887545 21033648 29 17556551293962565011 21041028 32 18191023391890738832 21524375 3 18198923563531144953 23419403 2 17749944458649342125 23558518 356 17979641460922087054 23598288 3 17254823179845861930 266924 1 18128241488635750879 2748010 2 17975671927751464076 283562 15 17618782904643827551 3091708 16 9503948120182136872 352729 6 16966605448129967444 4175511 71 18193286191194784163 474 4 18191868035785523329 6992083 37 18128800963728657231 81228 2 17397520040960613322 9981440 41 17977381960206024273 > 445.82 6.9 4.88 1.49 5.87 1.72 0.37 0.34 -2.19 -7.01 0.13 0.9 -0.29 -1.86 > 911.586 > 259.7 > 2 5 10 $$$$