5808373 -OEChem-05092405253D 40 42 0 0 0 0 0 0 0999 V2000 2.3060 0.8110 1.1510 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0929 4.4631 -1.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 3.6970 0.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9747 -1.1045 -0.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.1419 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 1.1873 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3664 -0.2531 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -1.2401 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 2.2245 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3026 -1.3213 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 0.0853 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -0.9240 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0641 -1.1020 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 -1.1802 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9005 -1.6169 1.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0704 0.3875 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 -1.6554 -1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0679 -1.4767 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 -1.6950 1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 3.5152 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -0.3513 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6963 -1.3598 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2853 -0.9487 -2.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 1.5834 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 1.0718 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -2.2022 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.8394 -1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 2.4636 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -0.8724 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3062 -1.7893 2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3529 1.1736 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 -2.4455 -1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1501 -1.5426 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7685 -1.9262 2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0986 -0.1335 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 -1.9240 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8163 -0.2136 -2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4153 -1.8860 -2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2739 -0.5573 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 5.2945 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 2 40 1 0 0 0 0 3 20 2 0 0 0 0 4 7 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 20 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 22 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END > 5808373 > 0.8 > 1 29 37 8 35 16 28 12 34 38 41 24 42 31 15 6 45 9 39 2 21 19 33 44 7 43 3 25 30 13 18 17 32 26 40 27 36 23 4 22 11 5 46 10 14 20 > 33 1 -0.08 10 0.03 11 0.04 12 0.23 13 -0.15 14 -0.14 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.65 20 0.66 21 -0.15 22 -0.15 23 0.14 26 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 4 -0.57 40 0.5 5 -0.09 6 0.14 7 0.33 8 -0.18 9 0.06 > 5 > 7 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 2 3 20 anion 5 1 4 7 11 12 rings 6 10 13 14 15 18 19 rings 6 11 12 16 17 21 22 rings > 23 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0058A0F500000001 > 58.168 > 35.654 > 10688039 33 18409171025721313448 11101153 10 18263094339694757644 12107183 9 15980921422865931506 12236239 1 16486977327316817186 12516196 113 18337390542994675755 12788726 201 18188480294346516299 13540713 4 18129657479761366984 13544653 18 18202288030013951979 13911987 19 18189063147279101270 14508225 48 18409726274688038701 14840074 17 18059860622736424374 14931854 50 18120063150014585981 15081414 286 18192996143305725201 17357779 13 18340759407993583181 17980427 23 16916796244515631265 1813 80 18200050528420565495 19301676 85 16684583412397733942 200 152 17561363989063826754 20600515 1 18197800949052464827 21033650 10 13841099206569617134 21236236 1 18342741771539505601 21285901 2 18273495663003927294 21641784 216 18263099798234148780 21792961 116 17894627041859487819 22182313 1 18057580167196820000 23175994 123 18334579096505520443 23402539 116 18342458149195399171 23557571 272 18408036304078271420 23558518 356 17970640588291758450 23559900 14 18188489189572159898 23569914 152 17331941838422106599 23845131 108 17547589080254194393 266924 87 18263919943323707135 283562 15 18409729521630157771 2871803 45 18411135831952924906 314173 85 18410858784454136539 5104073 3 18200029531085318978 5171179 24 17988063595875409977 5283173 99 18113606872589528165 5969126 39 18341889680050487388 68521 5 18408322168253069633 6913067 236 18201707479812215138 7399639 24 18200580506501048528 81228 2 18335984177533938881 9971528 1 18198898287674455665 > 460.46 12.75 3.49 1.37 7.55 6.52 -0.11 -8.98 -2.09 -2.85 -0.59 -1.37 -0.3 1.21 > 985.403 > 256.2 > 2 5 10 $$$$