67130943 -OEChem-04192411143D 44 46 0 1 0 0 0 0 0999 V2000 2.2938 2.5245 -1.9901 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 3.4331 -0.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4517 2.1737 1.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4678 0.1772 0.4326 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4603 -1.2535 -0.9857 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 1.6155 -0.0193 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 1.2316 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 0.0492 0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0669 2.2327 0.4066 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8020 -1.2582 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 -2.0558 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 0.0204 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 -1.8411 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2275 -3.4128 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 2.7917 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -3.1974 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 -3.9692 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 1.6394 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4472 0.9274 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6481 0.8533 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8267 0.1855 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 0.5014 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -0.7630 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2204 -0.1308 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 -1.3954 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0577 -1.0792 -1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 1.7517 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 0.9171 2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 3.0851 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0559 0.7852 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -1.5616 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 -1.2551 1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 1.1316 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7906 -4.0145 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 -3.6522 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 -5.0207 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 0.5060 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 2.9001 -2.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 1.3147 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2371 1.2413 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6882 -1.0565 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 -2.1376 -2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9226 -1.5760 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3947 0.8506 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 38 1 0 0 0 0 2 15 2 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 44 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 31 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 15 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 3 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > 67130943 > 0.8 > 2 60 81 85 241 137 179 193 231 229 91 83 74 234 212 247 123 196 171 243 187 6 138 233 188 121 90 114 82 55 172 131 49 71 190 210 118 39 93 166 186 242 87 214 155 126 230 185 215 136 197 94 177 54 125 51 128 236 245 192 109 237 142 119 244 195 201 169 208 160 73 108 58 235 154 89 181 170 30 38 18 7 66 217 133 162 159 150 143 69 189 200 48 26 12 92 145 104 227 184 180 224 122 67 23 113 33 41 135 148 27 9 239 183 168 176 173 221 153 46 127 31 246 100 79 19 95 164 209 240 29 163 157 165 52 178 213 228 44 59 141 205 15 101 199 3 225 102 8 226 207 62 124 63 105 203 99 17 98 13 76 40 238 174 147 43 24 158 56 156 16 151 75 140 1 211 204 198 175 42 4 61 206 20 111 47 97 232 96 106 218 152 146 134 115 107 220 120 167 191 222 110 65 64 88 117 182 37 248 223 72 144 149 103 80 202 77 57 216 139 68 132 34 28 219 116 194 84 10 32 70 161 35 14 11 130 112 129 50 36 45 78 86 22 25 53 21 5 > 40 1 -0.65 11 -0.15 12 -0.3 13 -0.15 14 -0.15 15 0.66 16 -0.15 17 -0.15 18 0.62 19 -0.14 2 -0.57 20 -0.18 21 0.03 22 -0.15 23 -0.15 24 0.08 25 -0.15 26 -0.15 3 -0.57 30 0.15 31 0.27 32 0.15 33 0.37 34 0.15 35 0.15 36 0.15 37 0.15 38 0.5 39 0.15 4 -0.53 40 0.15 41 0.15 42 0.15 43 0.15 44 0.45 5 0.03 6 -0.73 7 0.18 8 -0.18 9 0.36 > 7 > 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 cation 1 5 donor 1 6 donor 3 1 2 15 anion 5 5 8 10 11 12 rings 6 10 11 13 14 16 17 rings 6 21 22 23 24 25 26 rings > 26 > 1 > 0 > 0 > 1 > 0 > 1 > 6 > 0400563F00000002 > 54.6071 > 55.973 > 11315621 136 18337952402021272119 11796584 16 17131553950911892869 12107183 9 17911808972965277057 12788726 201 17560534957971704529 13150687 139 18117009969427974460 13533116 47 18343301479277967153 1361 2 18336547204553697441 13692114 37 17983283014180971240 13836976 161 18261393390489178980 14863182 85 18341601668619043904 15001296 14 18341324578703877863 15110567 62 18410291389463187179 15183329 4 17703796946910679037 15250474 111 18200863098032307591 15537594 2 18344146977818229463 15799311 1 18267319788581142667 17138139 8 17770770514043133791 17492 54 17896624880826127324 17818456 19 17914903028587332825 20028762 73 18272367564817984574 20511986 3 17988348360854642853 20645477 70 18260547848477303121 20775530 9 18122055408336956110 21315763 178 18201993369978246341 23379529 103 17337318467963056958 23559900 14 18334857259851430001 238 59 18260839197958075074 239999 70 18411700984828702746 25222932 49 17130124623944224045 3004659 81 18413106160715270345 345986 75 17988072271692828675 46194498 28 17822012025248215445 463206 1 18270394009701100211 484989 97 18190478231877136778 6025842 7 18336549412193748572 960060 61 18410293648679106341 > 501.63 13.88 4.23 1.33 28.1 1.37 -0.11 2.99 -2.81 -7.1 -0.32 -0.15 -0.27 -1.6 > 1088.766 > 272.4 > 2 5 10 $$$$