60167918 -OEChem-05092407583D 44 47 0 0 0 0 0 0 0999 V2000 -1.6941 4.1437 1.5002 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 -1.3012 2.3929 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 -3.1382 1.6196 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 3.0094 -0.6426 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 -0.7144 0.0426 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8022 1.1130 -0.4977 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 1.0268 1.1961 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 -0.1603 0.5177 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 -1.1532 0.8549 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 2.4724 -1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 1.6285 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 -0.7738 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 0.0619 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 2.2364 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 0.2373 -1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 2.3239 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 -1.9421 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 1.4531 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 -0.5459 -0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8294 0.5294 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2191 -0.8480 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0887 -3.1847 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 2.9428 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 -1.9014 1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6321 -2.0908 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -3.2592 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 2.2403 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 -2.0737 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 -2.3318 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7495 3.3003 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 1.9167 -2.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 3.7965 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 3.3194 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 -0.2499 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 1.9660 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 -1.6218 -0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6701 0.0529 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 -4.1082 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -1.3599 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 -2.1487 -2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3888 -4.2266 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 2.6462 2.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -2.7463 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4557 -3.2886 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 16 2 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 21 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 34 1 0 0 0 0 16 23 1 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 23 27 2 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M END > 60167918 > 0.8 > 4 177 190 34 53 28 170 196 95 231 145 224 127 61 131 232 159 68 161 172 84 164 29 139 6 173 217 66 132 211 175 174 106 222 76 215 148 184 117 122 35 144 138 96 154 229 192 20 142 189 165 37 220 135 160 183 120 111 45 31 208 97 230 19 225 12 210 193 67 71 73 119 155 213 214 2 140 30 77 114 69 176 78 70 146 226 151 169 201 42 156 166 130 39 186 98 7 55 203 181 216 197 36 63 51 112 9 100 233 143 25 152 90 21 72 65 123 206 168 5 200 141 185 150 46 103 13 27 158 47 57 58 107 24 93 234 15 91 212 44 3 124 121 147 171 115 88 38 180 179 202 85 99 32 133 41 59 40 83 195 1 221 125 60 204 16 75 110 219 89 128 18 26 149 52 182 74 80 82 153 102 129 22 17 23 87 62 108 101 92 235 198 48 218 43 178 109 199 113 81 104 54 118 163 86 64 126 10 194 105 79 191 49 94 33 50 209 136 228 162 223 116 227 8 56 167 187 134 11 205 207 157 137 14 188 > 40 1 -0.19 10 0.51 11 -0.14 13 -0.02 14 -0.15 15 -0.15 16 0.41 17 -0.14 18 -0.15 19 -0.15 2 -0.34 20 0.62 21 -0.15 22 -0.15 23 0.19 24 0.82 25 -0.15 26 -0.15 27 0.16 28 -0.3 29 0.08 3 -0.34 32 0.4 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.87 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 5 0.59 6 -0.62 7 -0.62 8 -0.42 9 -0.23 > 6 > 7 1 4 donor 3 4 6 16 cation 3 6 7 20 cation 5 5 8 9 28 29 rings 6 11 13 14 15 18 19 rings 6 12 17 21 22 25 26 rings 6 6 7 16 20 23 27 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 039616EE00000004 > 83.0938 > 35.659 > 10483366 6 18044633362229974341 11135609 149 17553449855666501311 11135926 11 17753062866862917764 11552529 35 18341887438488956768 11578080 2 15911096121701090497 11720765 8 18054492876227707789 12166972 35 17968092096527204599 12553582 1 17767716075589949261 12633257 1 18340215076924116372 12788726 201 18198366064049549225 13004483 165 18059291088766956079 14068700 675 18339915000095530166 14114207 22 17390216036888592159 14844126 61 18341333310266538521 14950920 106 18059003996137020432 15250474 111 18410013230580485086 15420108 30 17762616196783677209 16728300 4 18191049931258754291 17627616 140 17388526117381869234 17857418 61 18335135393522893454 19315092 285 17344622875376057347 19319366 153 17401771220754041932 20501277 246 15513954879058639810 20775438 99 16972488913376465191 20775530 9 18266191701718015532 23559900 14 18189606323086546718 23572383 38 18116702122602349274 25265897 201 17484546454818718175 255183 313 18198354957454260057 4017518 198 17908139876202144087 463206 1 18053099811574103407 469060 322 15840971343680737933 484985 159 18191572082352239214 57527295 17 17623857130022053327 57527585 103 17750541566346494691 5924683 9 18343298145808111460 6700243 42 16232484534168452239 > 545.1 12.13 4.65 1.71 18.33 1.15 0.29 -10.22 0.63 -3.36 0.76 -1.46 0.1 -2.97 > 1204.798 > 291.1 > 2 5 10 $$$$