24867857 -OEChem-04192404133D 58 61 0 1 0 0 0 0 0999 V2000 6.2667 -0.6543 0.2378 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 0.5856 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6143 -1.5162 -0.8235 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -1.2559 1.5007 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5680 0.0091 0.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0908 -1.5127 -0.9328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 0.5692 -0.0294 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7237 -0.7159 -0.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2592 -0.4741 -0.5803 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5407 0.6392 0.2202 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9265 0.9041 -0.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8189 1.6407 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8122 0.0847 0.7598 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4053 1.9152 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 -1.3927 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 -0.9578 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.7817 -0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6552 -0.4106 -0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9328 1.1434 -1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 1.6769 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 -1.5919 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 1.7449 -1.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -0.3426 -0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 1.7855 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8663 -0.5521 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 0.4110 0.3113 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2445 0.0488 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 -1.3823 -0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -0.1507 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 0.2710 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7481 1.3408 1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 2.5783 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2791 0.9144 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 2.3952 -0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 2.6464 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -1.0922 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 -2.4834 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 -1.8199 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 -0.5137 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8156 -2.4479 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 -2.3102 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 0.3961 -2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0538 1.5148 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6355 1.9783 -1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 1.1780 1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3139 2.6907 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5936 -2.4950 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5493 2.7635 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.2936 -2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 1.8503 -2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5714 -1.3521 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3791 0.1346 -1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 2.4282 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 2.2840 1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -0.1484 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2041 1.0934 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6306 -0.0220 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9141 -0.4982 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 2 26 1 0 0 0 0 3 25 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 M CHG 1 4 -1 M END > 24867857 > 0.8 > 1 111 24 74 112 52 69 89 105 76 99 75 120 45 9 126 42 127 121 101 83 65 109 92 51 30 84 124 56 14 119 54 23 70 67 86 71 95 107 85 2 94 115 78 113 55 103 73 116 22 41 62 98 91 38 18 123 88 25 10 108 125 68 61 81 110 102 12 64 93 13 96 114 5 58 40 8 97 49 29 11 80 87 33 17 106 39 15 79 43 118 16 44 48 20 46 59 47 32 77 66 72 31 122 82 90 60 26 28 6 57 34 117 50 63 104 36 21 37 4 27 53 100 19 35 3 7 > 16 1 1.63 11 0.14 13 0.06 17 0.14 18 -0.28 2 -0.46 21 -0.29 23 0.14 25 0.45 26 0.28 27 0.06 3 -0.57 4 -0.82 47 0.15 5 -0.82 6 -0.82 > 5 > 9 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 4 1 4 5 6 anion 5 7 8 13 15 16 rings 6 11 18 20 23 24 26 rings 6 7 8 9 10 12 14 rings 6 9 10 11 17 18 21 rings > 27 > 4 > 3 > 0 > 0 > 0 > 1 > 3 > 017B741100000001 > 77.4966 > 45.943 > 10 15 18341603855258479752 11315181 36 17749396978762049057 11456790 92 18272664454474012897 11578080 2 16952800658557240135 11646440 116 17418095425294299624 11719270 70 18201718431667811294 11796584 16 17168147866262728866 12011746 2 18260830401458929035 12166972 35 18261392282066233885 12236239 1 18186803582238169900 12403260 363 18272654579722141393 12516196 113 17917992772166860440 12633257 1 17846499270485625696 13140716 1 18199188579823580826 13224815 77 18272656753365534877 13288520 33 17458064871897645233 13533116 47 18041271085146214306 13782708 43 18408884057254818174 13862211 1 18342458157484315695 13914758 101 17749385928164500973 14251764 18 18272931657068617452 14341114 176 18187653547517832432 14849402 71 16558177341525147872 15183329 4 16877946018818122770 15788980 27 18261111880799042348 15849732 13 18113899377316132828 17349148 13 18409730677324487221 17844677 252 17603589621296491708 1813 80 17749679506733553228 18222031 100 17603866711116906396 19489759 90 17821728330136986733 200 152 18131915979724053415 20028762 73 17989203776147585318 21033648 29 18341599426118919417 21130935 74 17632862997204592318 21267235 1 18342744013427959980 21279426 13 18127697024384777068 21304304 249 18411700989055163390 21682296 61 17986967258344276166 22224240 67 17346875659175051158 23198884 109 13334736825629786045 23402539 116 18131348626949365837 23522609 53 18125471741325780584 23559900 14 17749674111801318409 23569917 315 18060144275320791495 23569943 247 16914561860716230942 335352 9 18343020020816286188 3383291 50 18413106160895333354 34797466 226 13912327872040320154 350125 39 18342740723483361944 392239 28 17988652903847350337 4325135 7 16558750122573922823 4340502 62 13686303478341690316 465052 167 18334297565757460506 5104073 3 18058170698839125730 59755656 215 18334576823972253899 59755656 520 18040709299282248083 > 530.15 16.43 1.9 1.25 10.17 0.25 0.06 -4.74 2.04 0.2 -0.03 -0.34 -0.04 0.35 > 1116.472 > 301.5 > 2 5 10 $$$$