67653690 -OEChem-03292403433D 36 38 0 0 0 0 0 0 0999 V2000 2.3662 -2.2068 -0.0469 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1631 2.5621 1.1864 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -1.2662 -1.4940 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4785 3.2191 -0.0930 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5669 3.6398 -1.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7662 2.4915 0.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.1981 1.1154 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.3262 1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -2.1889 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2985 -0.9725 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1991 0.1932 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1159 -1.0985 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 -1.4855 0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -3.1537 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 -1.9373 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 0.2811 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1478 -0.6755 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8864 1.4028 -0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -3.0279 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6156 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -0.3445 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 1.9521 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7746 0.9834 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8463 2.5409 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -2.0555 2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -3.3856 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2416 -0.1183 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 0.4886 1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 -0.3459 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 -4.0071 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -1.8497 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9591 1.1225 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8697 1.7602 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0628 -3.7786 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 1.2608 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 4.3742 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 5 24 1 0 0 0 0 5 36 1 0 0 0 0 6 24 2 0 0 0 0 7 13 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 35 1 0 0 0 0 M END > 67653690 > 0.8 > 2 63 137 107 56 87 138 52 166 96 149 168 79 89 118 18 116 112 12 84 121 139 95 97 124 64 161 154 23 144 115 20 125 86 151 114 91 69 150 58 162 148 43 100 38 165 119 126 10 105 102 143 50 158 94 46 132 113 147 164 99 90 134 159 153 111 36 85 136 35 29 49 157 28 82 54 9 62 163 88 92 33 66 81 57 24 120 72 41 15 128 74 71 146 51 32 76 80 73 75 129 103 160 11 5 123 101 53 117 27 44 68 106 141 59 122 65 8 3 108 22 83 104 140 31 14 40 26 93 167 131 135 67 152 77 98 110 45 7 21 55 48 78 39 1 156 19 142 37 61 16 60 4 155 127 42 70 25 13 34 17 133 6 47 130 30 109 145 > 30 1 -0.08 10 -0.14 11 0.14 12 -0.15 13 0.2 14 -0.15 15 -0.15 16 0.23 17 0.04 18 0.06 19 -0.15 2 -0.19 20 0.19 21 0.19 22 0.19 23 -0.15 24 0.66 29 0.15 3 -0.19 30 0.15 31 0.15 34 0.15 35 0.15 36 0.5 4 -0.19 5 -0.65 6 -0.57 7 -0.57 8 0.32 9 -0.14 > 5 > 7 1 5 acceptor 1 6 acceptor 1 7 acceptor 3 5 6 24 anion 5 1 7 13 16 17 rings 6 16 17 20 21 22 23 rings 6 9 10 12 14 15 19 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0408503A00000002 > 41.227 > 35.651 > 10498660 4 18188475999527289783 10670039 82 18260828232468757276 10764073 3 17553436424998195066 10871710 139 18336822100389674911 10937287 8 18336256865281653875 11059048 146 17980763736215174681 11273773 38 17762619491129516937 11796584 16 11887670607654352203 13944108 23 17472979502511379317 14142895 15 18120364373684076557 14251764 38 18192150619074760676 14251764 75 18340211778663845369 14848178 5 10447919556206697433 14848178 96 18335130960821491477 15052358 14 18270412572713414310 15238133 3 18262231128282020450 15575132 122 18408316688829394023 16992727 255 18262253118751732300 16994733 274 16227699245258468791 17834072 32 18411136896946045471 21859007 373 17694495254528690296 21864079 5 18333724741215387507 221357 26 18199749313800854099 22393880 68 18271810172235492710 23557571 272 17610902674601108498 23559900 14 17989209244326585818 2838139 119 18335694984701074015 312425 83 18272093837497877190 3472631 163 18412262797021726079 4280585 95 17557451811620198990 46194498 28 18059305360511244838 469060 322 16515400798717746463 5048184 11 18409443674814654385 5252454 2 18187357684595670685 5281201 14 18128544940886437110 5283173 99 18339923822385636936 633830 44 18334573581414519682 7288768 16 17603587439421171179 7808743 9 18409163342240904057 > 459.22 12.2 4.4 1.16 1.57 1.96 0.01 10.29 3.54 3.91 0.54 -0.23 -0.3 0.38 > 988.501 > 255.4 > 2 5 10 $$$$