16194419 -OEChem-04192419553D 50 53 0 1 0 0 0 0 0999 V2000 -5.0997 0.7864 -0.2943 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5334 -2.2501 -1.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -0.3043 -1.6437 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 2.1495 1.9379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 -0.6608 -0.8601 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 -0.4127 -1.0346 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5552 -0.6144 -0.1275 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5049 -1.9779 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 -2.7193 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -1.8843 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 0.4535 -1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 -2.5338 1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -4.0164 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5657 1.6677 -0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 0.0302 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2608 -3.8464 1.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8756 -4.5812 1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 1.8910 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 2.5732 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 0.8805 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 -0.3607 -1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2143 0.0847 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 1.3258 0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9544 3.0308 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 3.7130 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 0.9279 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9081 3.9417 0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5786 0.1879 -1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 2.5186 2.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 0.1424 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 0.1535 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 0.6774 -2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 -0.9089 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 -1.9767 1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 -4.5791 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 -4.3057 2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -5.5990 1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 1.1963 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -1.0190 -2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 2.4147 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8971 3.2237 1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8757 4.4224 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2953 1.3076 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0415 4.8291 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 -0.1696 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6365 1.2789 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3462 -0.2206 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 1.6481 3.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 3.1033 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 3.1698 3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 10 2 0 0 0 0 3 22 1 0 0 0 0 3 28 1 0 0 0 0 4 23 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 24 2 0 0 0 0 19 25 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 26 1 0 0 0 0 23 26 2 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END > 16194419 > 0.8 > 84 50 154 195 184 159 97 61 7 172 96 94 90 123 214 104 31 140 60 134 71 38 18 85 176 160 166 210 119 196 162 70 224 102 13 192 75 143 98 114 32 183 169 67 189 72 171 63 146 10 182 197 223 110 83 43 130 118 215 69 208 168 58 186 181 86 121 73 164 46 12 153 213 54 107 198 127 117 222 190 178 203 80 175 22 82 122 150 36 64 173 30 219 105 40 225 15 211 76 158 165 100 201 111 161 218 79 144 34 212 180 35 151 207 48 44 62 88 19 9 221 39 177 77 14 185 202 124 191 204 95 179 56 216 220 23 26 194 74 133 103 41 137 136 193 120 205 28 45 47 135 68 128 27 3 152 108 209 93 91 145 24 157 81 142 206 174 125 188 131 78 149 66 42 148 217 21 129 113 59 49 109 141 20 199 5 200 115 37 187 4 17 147 29 156 8 163 33 170 57 112 155 65 52 1 167 106 16 101 6 55 116 132 92 11 139 51 53 2 99 126 138 89 25 87 > 41 1 -0.18 10 0.54 11 0.44 12 -0.15 13 -0.15 14 -0.14 15 0.1 16 -0.15 17 -0.15 18 0.18 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 0.08 23 0.08 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.28 29 0.28 3 -0.36 33 0.4 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.36 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 5 -0.66 6 -0.87 7 0.81 8 -0.14 9 0.09 > 6.4 > 9 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 cation 1 6 donor 5 5 7 8 9 10 rings 6 14 18 19 24 25 27 rings 6 15 20 21 22 23 26 rings 6 8 9 12 13 16 17 rings > 29 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 00F71B7300000054 > 108.0432 > 45.759 > 10006869 2 18339634531106725527 10165383 225 18265342706943382357 1100329 8 18265616662307479205 11578080 2 15409455945028127475 12160290 23 17896871243443451123 12293681 160 18264185050770838503 12549972 3 18201716310449241834 12788726 201 17972053683923991726 13140716 1 17541091409078841995 133893 2 17390201760048398383 13941206 138 18263372386685464418 140371 6 17907006636497372301 14790565 3 18046914783979158622 15361156 5 18199753712068905436 15629462 23 17201660856566147424 19319366 153 18122351168158361980 20600515 1 17755840245712944861 20642791 178 17759800343088390144 23557571 272 18195235848591322208 23559900 14 18046060729927547566 392239 28 18411985763199695377 4073 2 18409174329563858430 42626532 9 18190752032200191024 469060 322 17822009822599749645 474144 1 17476644174286338905 5252454 2 18265610970737788581 57527295 17 18201715129249326550 57527585 103 18047735277224851829 59755656 520 18336832987377377164 6004065 56 17476625947041616791 7097593 13 17400352353107325955 81228 2 18265613363113134861 > 571.11 9.55 5.76 1.76 10.52 4.14 -0.63 -6.8 3.6 -5.57 -3.6 1.37 -0.19 0.23 > 1242.442 > 313.1 > 2 5 10 $$$$