59192075 -OEChem-04202412093D 41 43 0 0 0 0 0 0 0999 V2000 5.8432 1.0978 1.1811 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2043 -2.0561 0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 -0.6004 -1.5267 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3517 1.6631 0.1276 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 -0.5956 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 -1.2016 -1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -0.7303 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 -1.2943 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -0.3735 -0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2558 0.6674 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 0.5326 0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0744 -0.3699 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4835 -1.0722 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 -1.0417 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 1.2315 -0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 0.9898 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 0.9657 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 1.6334 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 -1.4927 1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2025 -1.0182 0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3955 -0.3270 1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 1.0007 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 2.3916 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 -1.0552 -2.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 -2.2831 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 -2.2780 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 1.2205 -2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.1734 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7756 -2.0922 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 2.2151 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 1.5411 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1345 2.6843 -0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 -2.4617 2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -0.9284 2.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 -1.6846 1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1576 -2.0658 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2773 -0.8126 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3217 1.5916 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0888 2.6870 1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 3.1397 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7109 2.3734 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 23 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 9 17 1 0 0 0 0 10 15 2 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 20 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 59192075 > 0.8 > 1 38 28 17 30 46 10 45 4 7 41 44 48 16 47 3 32 40 9 19 5 34 31 27 13 2 37 23 29 20 36 42 14 33 8 24 6 21 18 39 43 12 15 11 35 25 22 26 > 32 1 -0.36 10 -0.15 11 0.08 13 0.54 14 -0.15 15 -0.15 16 0.31 17 -0.15 18 -0.15 19 0.14 2 -0.57 20 -0.15 21 -0.15 22 0.16 23 0.28 26 0.15 27 0.15 28 0.37 29 0.15 3 -0.73 30 0.15 31 0.15 32 0.15 36 0.15 37 0.15 38 0.15 4 -0.62 5 -0.14 6 0.44 7 -0.14 8 -0.15 9 0.09 > 5 > 7 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 acceptor 6 4 12 16 20 21 22 rings 6 5 7 8 10 11 15 rings 6 9 12 14 16 17 18 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0387330B00000001 > 74.0115 > 35.554 > 10 15 18412265059889300513 10319926 262 18189616046940237374 10670039 82 17345772814943089744 11128504 68 13686296863754177559 11724838 91 18410572932942590182 12236239 1 17022629667533111863 12516196 113 13695593264737433150 12596602 18 18187362125433697040 12633257 1 17168418381115622892 12760667 363 12324231759075169917 12892183 10 18040707040181529006 12925494 130 17754444669474306021 13533116 47 17095246908161899634 13685833 64 13479132402113662060 13782708 43 13046531790571604913 13955234 65 17773889605462562198 14211702 104 16226630570936318851 14251764 75 17771620428533073992 14341114 176 18187081741816450818 14366163 111 14333407835301828382 14528608 73 13901905596471464471 14681490 219 13614520757647006578 14840074 17 15841836638178785657 15188451 53 16370722656039839751 15238133 3 18335707187019998020 15475509 8 10519993668831796859 15510800 12 12757688908991568232 15575132 122 15123520151492456585 16760501 71 18340768251252566152 17349148 13 16081665400079014799 17980427 23 18341045332292649909 1813 80 14996283596258126822 18222031 100 14634875227735155886 19377110 9 18410006680344382719 1979834 28 18202009802148471132 20511986 3 17967805030072643195 21150785 3 15913322495139759413 21315764 119 10591773090089511488 21344244 78 17022903471466637492 21792934 111 17968663697399308213 21859007 373 16807562869605044159 22061861 79 10665230366982820307 221357 26 13110971920380093802 2215653 11 8142082031755872235 22849339 104 12247380324927903213 23522609 53 11026647393907633391 23559900 14 18265354835878110470 2838139 119 17489296495664260680 2916195 48 18343585135907893445 29717793 49 10087643706488600714 312425 54 17603585201278895273 3472631 163 17346596426203008484 34797466 226 17060350608573271365 3680242 22 18261119530178319465 465052 167 12757156774636567570 5104073 3 18260555485282304241 543368 44 14548725206396837699 59682541 52 14045475440345834516 7808743 9 17916296320483384460 960060 61 10087633802014577526 > 451.63 17.46 1.96 1.43 4.16 0.41 0.11 6.34 -8.73 -1.33 -0.3 -1.63 -0.32 0.33 > 985.13 > 245.9 > 2 5 10 $$$$