60323506 -OEChem-04232413323D 51 53 0 1 0 0 0 0 0999 V2000 0.1477 -3.2606 -0.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -0.5659 0.1192 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 0.7023 1.5683 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7112 -1.3884 0.3217 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1478 -0.8099 -0.3214 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5828 -2.1352 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 -0.7602 -1.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 -2.3453 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8337 -0.2497 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 -1.2729 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 2.1111 1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 0.4955 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6484 -1.3738 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 2.4493 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3646 0.3624 1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7706 -0.8201 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2107 -0.1553 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -2.2017 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 0.2795 2.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8623 -1.0840 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 -2.1072 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 2.3706 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 2.8419 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 2.6845 -2.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 3.1558 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 3.0772 -1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 0.0388 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.1446 1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 -2.9896 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 -1.6249 -2.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5068 0.1395 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -0.7331 -2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 2.4139 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 2.7207 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -0.6737 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 1.2534 1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5272 -2.2703 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9926 1.0433 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7714 -1.2247 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 0.6272 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2755 -3.0236 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 0.8134 3.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -0.7905 2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 0.5037 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 -1.0122 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6457 -2.8303 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 2.0678 -1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3283 2.9054 1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 2.6225 -3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 3.4595 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 3.3199 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 18 2 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 36 1 0 0 0 0 13 16 2 0 0 0 0 13 37 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 20 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 M END > 60323506 > 1 > 10 117 80 186 221 219 14 179 205 216 193 132 108 127 47 79 6 50 220 42 111 45 190 230 163 26 202 123 187 155 162 164 101 231 102 147 62 114 52 97 75 13 178 133 29 192 144 196 210 68 82 218 171 56 227 76 170 150 183 136 30 233 125 53 146 110 189 135 198 100 74 182 191 173 2 201 208 167 188 145 232 129 70 24 211 91 119 18 195 185 206 36 141 158 20 172 32 118 180 169 140 151 71 229 99 46 86 43 38 95 27 166 130 225 54 153 5 73 212 131 25 122 143 98 152 224 7 209 120 161 194 23 65 176 112 217 115 72 90 31 204 58 89 84 200 78 105 69 51 142 139 44 57 61 81 59 64 215 177 67 134 156 168 228 87 19 174 94 3 159 9 197 181 93 37 49 213 103 203 83 66 165 137 55 107 4 1 16 154 138 28 149 148 214 223 85 77 40 160 104 92 207 184 109 35 126 106 34 63 113 226 124 39 48 17 60 96 21 199 222 157 22 128 8 11 88 175 33 15 41 116 121 12 > 39 1 -0.57 10 0.12 11 0.51 12 -0.3 13 -0.3 14 -0.14 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.37 2 0.05 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 3 -0.84 35 0.37 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.55 40 0.15 41 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 0.26 50 0.15 51 0.15 6 0.06 8 0.57 9 0.1 > 8 > 7 1 1 acceptor 1 2 cation 1 3 cation 1 4 donor 5 2 12 13 15 16 rings 6 14 22 23 24 25 26 rings 6 9 10 17 18 20 21 rings > 26 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 039876B20000000A > 82.31 > 35.522 > 10366900 7 16805599296340769675 10483366 6 18118426127292548132 10688039 33 18114747035961038556 11421498 54 17313381167548671930 11513181 2 17917151731117206839 11582403 64 15191609869742527344 12156800 1 17483154502909263724 12293681 4 18113346305508210034 12403259 327 16988842830025196641 12617007 42 18260553350467299212 12633257 1 17677598929877289907 13075007 39 17970084411960341907 13140716 1 18193827365906815850 13402501 40 18340768139445766131 13726171 33 18115307748701651260 13965767 371 18053635213601240784 14955137 171 18411710897797909679 15210252 30 18115038497327543380 15420108 30 17697579341498424706 1601671 61 18411703183814996042 17357779 13 18338502058881743732 17492 54 17969529119896835404 17980427 26 15840110383501458786 1813 80 18113898255918659693 20691752 17 18264469810790732298 20739085 24 18335143128405935885 21033648 29 18200861908225691747 21285901 2 18341902835910199382 23419403 2 17559368316062750402 23559900 14 18411979196289963571 3052486 1 18115587024459108788 338550 245 18338248080871659617 35225 105 16741139052593479513 3524813 1 18200307715077824130 3737641 26 18198627627130536534 469060 322 18043265543261713792 474 4 18340203085575931635 508706 21 18114168719543209701 513532 50 17845385507934971852 5283268 108 18335137583328609649 6287921 2 18270961357748512039 > 514.26 9.26 4.08 1.76 9.19 2.19 -0.24 -5.18 -1.93 -1.19 1.76 -0.49 0.9 0.53 > 1092.041 > 288.1 > 2 5 10 $$$$