16257621 -OEChem-04262419003D 43 45 0 1 0 0 0 0 0999 V2000 2.9963 -2.6900 1.6913 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6142 -1.0563 -1.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5892 -0.1086 0.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5454 2.6007 -0.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6911 0.5240 0.6168 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9756 0.6861 0.9722 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 0.4819 0.1507 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3580 1.0116 1.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 -0.9201 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 1.0747 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 1.6365 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 0.7418 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0178 1.8578 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5976 0.1396 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 1.5151 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8464 -2.1316 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3139 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 2.9155 -1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 -3.0727 -0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7555 0.7078 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3227 -2.3691 -1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -1.4153 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5403 -0.3873 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 -1.4286 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1818 1.1439 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 2.0984 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 0.5506 2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 -0.1858 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5207 2.0774 2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0894 1.9280 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7818 2.6468 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4682 -0.9044 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4866 0.7776 -1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6392 0.2143 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 -2.3161 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 2.8992 -2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 3.7477 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 3.1235 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 1.5072 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2802 -4.1311 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 -2.6413 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5855 -0.4259 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.2599 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 17 2 0 0 0 0 12 20 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > 16257621 > 0.8 > 1 204 46 200 104 62 166 145 218 174 60 74 123 25 16 78 202 17 209 132 136 59 79 90 43 81 89 117 50 93 190 134 80 71 168 150 114 27 83 155 86 30 151 61 13 138 164 84 69 42 144 197 119 171 128 156 170 8 217 201 143 153 3 9 142 82 141 129 185 72 192 94 184 126 21 176 177 107 147 53 34 161 64 208 23 20 108 40 207 205 87 160 211 55 118 121 28 214 162 175 57 189 36 102 194 6 73 213 152 158 115 193 66 157 219 31 95 163 35 92 5 203 182 29 97 149 110 70 112 178 103 179 41 32 63 120 67 44 135 77 122 14 215 113 49 127 210 186 212 37 88 68 199 47 18 173 154 183 198 139 146 191 165 12 99 195 15 76 169 133 45 39 56 130 140 137 52 2 187 85 116 26 206 91 159 125 131 216 106 65 172 196 188 124 101 24 100 7 33 181 22 75 54 51 10 96 38 11 148 58 48 180 19 4 105 167 98 111 109 > 30 1 -0.18 10 0.05 11 -0.18 13 0.27 14 0.27 15 0.71 16 -0.15 17 0.14 18 0.18 19 -0.15 2 -0.28 20 -0.15 21 -0.01 22 0.18 23 -0.15 24 -0.15 28 0.37 3 -0.28 35 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 5 -0.81 6 -0.73 7 0.45 8 0.3 9 -0.04 > 6 > 8 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 donor 5 2 9 16 19 21 rings 5 3 10 11 12 17 rings 6 12 17 20 22 23 24 rings > 24 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 00F8125500000001 > 38.1969 > 40.698 > 10366900 7 15123798370414464274 10616163 171 18342744064915170927 10622 236 18269816748590322551 11045977 3 17275377707997226072 11578080 2 18198880643512038824 12236239 1 18413111645240931312 12553582 1 18261945276453722282 12633257 1 18412825776617866943 12788726 201 18201443514905584881 13004483 165 18189887613728089672 13167823 11 18410859888381959808 13726171 33 17413059781993071849 14840074 17 18335710398927268598 15183329 4 18334570197417913061 15537594 2 18334861593389210882 17349148 13 17846497028497022333 19141452 34 18341897376547563408 20291156 8 18269552900211323262 20511986 3 18412254034882558992 20554085 129 16915095111186434737 21133410 221 15239709628971173730 21634736 98 18337390564753978574 21703447 108 17412161524453736107 235170 7 15719389529893497738 23559900 14 17703503385015010568 23598288 3 18129106795823482967 23728640 28 18060419131984227031 3004659 81 18411417327749837504 339767 52 18413665812181352522 4283 87 18335977636483285202 46194498 28 16732989751306770734 463206 1 18334579061908366466 5385378 56 17699868232892745905 559249 180 18342739589880637911 602551 16 17489585680101856630 633830 44 17458626786453173192 7226269 152 17346041078489466129 9953998 17 18058995221792927154 > 468.21 11.99 3.2 1.35 0.54 0.82 -0.14 1.06 0.22 0.27 -0.41 0.41 0.45 -2.95 > 1001.546 > 262.8 > 2 5 10 $$$$