6911856 -OEChem-03282420023D 43 45 0 0 0 0 0 0 0999 V2000 0.8262 3.6123 -0.6418 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8459 -1.1761 0.6909 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 -1.4623 -0.1631 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 3.6880 0.4947 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4738 -1.3970 -0.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 3.7252 -1.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8851 4.5286 -0.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3687 0.0879 1.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0329 -2.4052 1.4459 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 -2.9502 -1.9564 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1960 -2.0969 -1.9516 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2390 0.6152 2.1061 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6646 -1.1076 0.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 1.0055 -0.5847 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 -0.1571 -0.5428 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3822 -2.1161 -1.5492 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8814 -0.2400 1.2615 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2124 0.4457 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -0.6862 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 1.9930 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 1.7831 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3913 0.8638 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -0.5212 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 0.2825 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1275 -0.9883 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9249 -1.9605 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -2.1072 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 -0.1943 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 -1.1485 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3254 0.7441 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1112 -1.1639 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 -0.2252 0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 0.7288 1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3766 2.5964 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 1.1537 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -2.8433 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -3.1051 0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -0.9113 -1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6496 1.4936 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8109 -1.9058 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9414 1.4742 2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 3.6046 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 -0.6468 -1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 25 1 0 0 0 0 3 23 2 0 0 0 0 4 42 1 0 0 0 0 5 43 1 0 0 0 0 10 16 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 28 1 0 0 0 0 15 38 1 0 0 0 0 16 29 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 35 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 33 2 0 0 0 0 30 39 1 0 0 0 0 31 32 2 0 0 0 0 31 40 1 0 0 0 0 32 33 1 0 0 0 0 33 41 1 0 0 0 0 M CHG 4 10 -1 12 -1 16 1 17 1 M END > 6911856 > 0.8 > 1 4 10 6 8 2 3 9 5 7 > 42 1 1.5 10 -0.52 11 -0.52 12 -0.52 13 -0.52 14 -0.49 15 -0.46 16 0.91 17 0.91 18 0.03 19 0.09 2 1.49 21 -0.18 22 0.44 23 0.48 24 -0.15 25 -0.01 26 -0.15 27 -0.15 28 0.1 29 0.13 3 -0.57 30 -0.15 31 -0.15 32 0.13 33 -0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.4 39 0.15 4 -0.68 40 0.15 41 0.15 42 0.5 43 0.5 5 -0.68 6 -0.65 7 -0.65 8 -0.65 9 -0.65 > 6 > 20 1 10 acceptor 1 10 anion 1 11 acceptor 1 12 acceptor 1 12 anion 1 13 acceptor 1 14 acceptor 1 15 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 4 6 7 anion 4 2 5 8 9 anion 6 18 19 20 21 22 23 rings 6 18 19 24 25 26 27 rings 6 28 29 30 31 32 33 rings > 33 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0069777000000001 > 113.1088 > 101.821 > 10190108 129 18338802217815887886 10411042 1 18334575703539664596 10622 236 17841974874643121767 10688039 33 17967816011729279372 11331351 85 18202287974585838284 11456790 92 18340221730577564921 12107183 9 18343304773428036707 12107698 1 18335145285043871705 12128747 34 15768669551050913598 12236239 1 18272654580011940771 12516196 113 18334858303544294162 12788726 201 18042113268477450824 13009979 54 18130508629671391721 13540713 5 18056197110433420583 13590594 115 18335416859298376300 13673619 4 17458346342721839717 13685833 64 18040719160136237202 13782708 43 16805604806683700835 14117953 113 18343018857571291277 14739800 52 17343778467847867249 14849402 71 18269835479622890136 14955137 171 18409740568233054834 15021287 119 18410577292919853971 15347590 135 18335966603424128248 15461852 350 16630515233813458061 15927050 60 17834682973999676396 16110190 28 18272367581374867806 16992787 43 18188501289038858772 17492 89 18121777502683894103 17980427 23 17703783760559156157 1813 80 18335995185228786924 19301679 30 18192431875087539938 21033648 29 16951390183218839549 21049683 271 18113626711581694628 21267235 1 18335986381416423410 21641784 216 17895206442107028060 21781055 127 16843636866775350073 21792961 116 17895463718557581718 23522609 53 18266484086640340332 23559900 14 18190460644011952785 24771293 8 18199737211363749144 249057 3 18412825794219995127 25147074 1 18129662053690599503 3044373 193 14924233768053430446 3178227 256 18186809079638203194 4409770 3 18046613521677308781 4516262 110 17975974586019348621 5028188 123 17846221098945317142 5104073 3 18129659841260572915 5219985 9 18334295353638514340 58083652 198 18262502771571882788 6009941 240 17386283169664026957 6058803 2 17912079761830739941 6691757 9 17203327823953641015 9962374 69 18336263557073095595 > 602.34 18.61 3.83 1.39 0.69 4.83 0.19 -13.28 -9.18 -1.91 1.48 1.72 -0.34 -2.32 > 1300.992 > 330.9 > 2 5 10 $$$$