70730882 -OEChem-03282411233D 58 61 0 1 0 0 0 0 0999 V2000 6.1082 -2.9730 -0.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 1.2211 -1.4775 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 1.8981 -0.4809 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 -0.6812 0.2283 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5842 -2.3952 -0.3805 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4589 1.6600 0.4809 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9605 2.9786 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 0.8562 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 4.0435 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 2.9423 -1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 4.2535 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 0.0622 0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7882 1.1036 -0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9405 -1.9267 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5164 -0.9799 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 0.0516 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0882 -2.6909 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 -1.7657 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 -0.7413 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 -0.3093 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 -2.0275 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3992 -1.3655 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 0.8826 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -1.2890 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -3.6848 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 0.9735 0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3553 -0.0968 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0639 1.0731 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 2.8180 1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 3.3685 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1443 0.1645 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 1.5042 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 3.7568 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 4.9866 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 3.1172 -2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 2.5646 -2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2243 4.6770 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 4.9792 -1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -0.5998 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7886 0.7753 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 -2.5587 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -1.7269 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.0525 1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 -1.5659 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 0.5364 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 -0.6204 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 -3.6474 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5194 -2.1329 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1105 -1.1754 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3975 -2.0403 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 -2.7055 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5418 1.7263 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4276 -2.1185 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 -4.1653 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6554 -3.5273 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 -4.3036 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0088 1.8904 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4365 -0.0045 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 51 1 0 0 0 0 22 24 2 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 M END > 70730882 > 1.2 > 1 147 119 77 74 151 78 159 125 123 9 144 99 48 66 35 62 143 124 142 103 21 61 54 2 34 137 31 131 126 44 109 3 121 130 111 162 117 37 65 157 115 25 153 20 29 58 23 136 152 40 71 64 101 94 158 107 51 118 6 24 27 140 57 33 60 22 133 105 128 15 26 84 110 141 96 52 68 70 150 132 42 90 16 148 102 139 59 114 91 122 98 46 67 154 7 17 146 39 75 8 53 45 113 149 41 72 14 134 28 161 129 76 47 55 11 38 85 156 82 160 49 135 92 163 80 93 87 106 13 155 97 138 95 86 4 5 127 56 43 19 73 89 145 100 36 32 10 83 81 108 88 120 104 79 50 12 112 18 69 30 63 116 > 27 1 -0.56 10 0.3 12 0.27 13 0.57 14 0.27 15 0.27 16 0.24 17 0.28 18 0.28 19 -0.18 2 -0.57 21 -0.3 22 -0.15 23 -0.15 24 -0.15 25 0.26 26 -0.15 27 -0.15 3 -0.66 4 -0.81 5 0.05 51 0.15 52 0.15 53 0.15 57 0.15 58 0.15 6 0.3 > 8.4 > 8 1 1 acceptor 1 2 acceptor 1 4 cation 1 5 cation 5 5 19 20 21 22 rings 6 1 4 14 15 17 18 rings 6 20 22 23 24 26 27 rings 6 3 6 7 9 10 11 rings > 27 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0437448200000001 > 47.4043 > 40.689 > 10622 236 17984406706116727199 11405975 8 18269842063696283233 11456790 92 18060150830178324361 11756154 67 18339649949295870590 12107183 9 18341338803746228393 12128747 34 16772675395287972226 12788726 201 17970625178291569818 13402501 40 18340769252280795262 13533116 47 18268991067503053081 13583140 156 17201635786731453081 13631057 29 18190180093123195058 13690498 29 18040714719361612492 14117953 113 18341897333561286246 14251764 30 18337671910828838448 14347332 77 18044651993650664082 14394314 77 18335985251280823338 14420673 8 18410859824132108427 14739800 52 17700975698062132177 15250474 111 18054784254692095215 15274700 259 17098595892643658693 15361156 5 18260272991965762278 16110190 28 18342453760007744142 16992752 21 18340781351888795252 17492 89 18194122052198115275 17818456 19 18272377494613360113 1813 80 17967813851170519924 19141452 34 18341894086808479435 20554085 129 8141798327775518716 21033648 29 15195298481802616929 21781055 127 17130178384534996217 22849341 161 18335154071919452185 23559900 14 18271519905412942929 249057 3 18410856534708710547 3004659 81 18114468890343832262 3103668 31 17970907752722918925 3421961 26 18411416258852009904 34797466 226 12396293738717877547 437815 12 18410575046114089312 4409770 3 17900253113614309517 463206 1 18260550030574339026 5081480 168 16515685580312769479 5104073 3 18199760313712967555 563151 74 17201896310820946528 56633871 153 18412545401226961331 6058803 2 18124606529307089621 9555976 147 17417823859213790403 9981440 41 17255963893057998713 > 528.97 15.45 4.88 1.12 2.23 2.67 -0.12 -14.91 3.47 4.34 -1.6 0.25 0.38 -0.7 > 1118.094 > 296.6 > 2 5 10 $$$$