69967615 -OEChem-03282407263D 33 34 0 1 0 0 0 0 0999 V2000 -4.2132 -0.6156 0.0412 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 0.7729 0.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6098 -0.8553 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 3.4964 0.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6297 -0.8126 -1.5089 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 -1.9474 0.7537 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0663 -2.6030 0.4474 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 0.6819 0.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 0.1114 -0.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7005 -0.3123 0.1708 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -1.2496 0.0666 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 0.0766 -0.6758 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4633 -0.5845 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 1.2136 0.2587 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2804 -0.4199 0.3392 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0470 2.4970 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5082 -1.4703 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 0.9296 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 1.1242 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 -0.0331 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 0.4091 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -1.6376 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 -0.0494 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1527 1.4183 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0474 -1.2550 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 2.3695 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9105 2.8500 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 1.7883 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 4.3052 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4814 -2.0677 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 2.1078 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5535 -0.6244 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7507 -2.0032 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 17 2 0 0 0 0 9 20 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 M END > 69967615 > 0.8 > 1 15 30 24 25 13 32 19 7 11 23 34 29 4 26 8 31 27 14 17 21 22 5 3 18 20 6 9 12 33 10 16 2 28 > 25 1 1.51 10 -0.47 11 -0.49 12 0.28 14 0.28 15 0.58 16 0.28 17 0.69 18 -0.04 19 -0.14 2 -0.56 20 0.62 28 0.15 29 0.4 3 -0.55 30 0.37 31 0.15 32 0.5 33 0.5 4 -0.68 5 -0.77 6 -0.77 7 -0.57 8 -0.7 9 -0.57 > 5 > 12 1 11 donor 1 2 acceptor 1 4 acceptor 1 4 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 5 6 8 anion 5 2 12 13 14 15 rings 6 10 11 17 18 19 20 rings > 20 > 2 > 1 > 0 > 0 > 0 > 1 > 3 > 042B9EFF00000001 > 12.9072 > 60.94 > 10090160 65 18186519921128419366 10366900 7 18335144198052720258 11045515 52 18040433291535064253 12236239 1 18131353007863343910 12553582 1 18341599451904261383 12788726 201 18335415721157923441 14178342 30 17904182755772005546 14787075 74 18114185301599516867 15375462 6 18409728422197488638 15442244 35 17905041453004763298 17492 89 18265894649127836346 1813 80 18130239236759730749 18222031 100 18200860881660000735 19784866 170 18201445735893929527 200 152 18408603664625281098 21029758 27 18412546543777822509 21267235 1 18411146852337612614 21501502 16 18191303771940867912 22950370 63 18412267259234380795 23402539 116 18409728456472856949 23419403 2 16808450415443072017 23557571 272 18342181020625365564 23558518 356 18044105561375870273 23559900 14 18260824925322723176 23598288 3 18198047089243301021 23622692 88 10087639312626319592 25610 137 18408603660325026060 26918003 58 18040996254172400755 2871803 45 18408038498859248702 312423 11 18263087609042712666 5104073 3 18340482249770066810 5283173 99 17969209063239655653 53777708 50 18120936105757979370 58051976 378 18409448077124620694 9709674 26 18337395924488639714 > 358.52 10.02 2.42 0.88 0.03 1.37 -0.15 -3.49 -0.48 -0.51 0.38 -0.67 -0.05 -0.27 > 733.909 > 208.6 > 2 5 10 $$$$