70247941 -OEChem-03292408003D 38 39 0 0 0 0 0 0 0999 V2000 0.5322 1.2821 0.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 -1.2845 0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7724 1.1782 -0.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 -4.0923 -0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -2.6635 0.9221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 1.0335 0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 -0.2543 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 1.8019 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 0.5508 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -0.4956 0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7002 1.3172 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 2.0799 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 1.8385 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 2.0645 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 0.1192 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 0.2993 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 1.6136 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3899 -0.3319 -0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 -2.3823 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.4153 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -1.0618 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 -3.0279 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2528 2.8978 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 1.4898 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0505 -1.4991 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 3.0895 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 2.6658 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 2.9984 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -0.4728 -1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 2.1951 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -1.2655 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -3.1197 0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -2.0437 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3578 0.0639 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2841 -0.9298 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6199 -1.5114 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -1.7170 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 -4.5328 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 16 2 0 0 0 0 4 22 1 0 0 0 0 4 38 1 0 0 0 0 5 22 2 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 25 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END > 70247941 > 0.8 > 1 131 90 6 108 14 97 136 43 128 80 38 31 53 57 114 123 30 56 83 92 76 145 138 72 112 81 124 89 16 135 77 140 61 84 48 93 20 62 105 35 100 65 101 120 69 23 37 54 113 78 104 143 96 22 5 139 60 115 95 109 116 44 51 133 12 58 121 67 71 18 79 52 34 25 125 142 42 129 75 8 110 88 9 3 106 47 91 94 119 66 15 68 10 141 126 99 127 36 103 64 32 70 98 33 46 40 7 86 130 45 39 49 13 41 111 55 2 107 21 102 82 122 87 59 117 24 137 144 19 63 118 73 27 85 132 11 134 50 28 17 29 26 74 4 > 31 1 -0.36 10 -0.15 11 -0.14 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 0.42 17 -0.15 18 -0.15 19 0.34 2 -0.36 20 -0.15 21 0.06 22 0.66 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 34 0.15 38 0.5 4 -0.65 5 -0.57 6 0.08 7 0.08 8 0.42 9 0.09 > 7 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 4 5 22 anion 6 11 14 15 17 18 20 rings 6 6 7 9 10 12 13 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 042FE60500000001 > 69.5647 > 40.665 > 10366900 7 17560815380781777472 107951 10 17531250599130770362 11370993 70 18411138056666440604 11963148 33 18189327039393678723 12592029 89 18335422348228923595 12838862 33 18336529583052201968 138480 1 17833833768433528402 15099037 51 18334859454179103213 19591789 44 18194405726187285115 200 152 17561085816990943009 20197701 30 18410289246031497558 20567600 347 18260550008946040818 22393880 68 18267026059292389324 23402539 116 18412822521249544813 23559900 14 18269837682851513288 23566358 2 18191301577181009517 25147074 1 18057883538264971401 266924 87 18263919939271560597 3298306 158 18408603651740405262 351380 180 18341613737060498460 38695281 34 18342458136558501855 57307002 85 17459770300807017523 59755656 215 18261109634789895357 6138700 20 18337394842673540534 67856867 119 18263637368671903555 69090 78 18411701023483434368 9709674 26 18270408312179377988 > 423.4 11.23 3.4 0.87 2.94 3.91 -0.03 -4.35 -1.98 -1.28 0.06 -0.23 0.15 0.11 > 897.298 > 236.3 > 2 5 10 $$$$