69929487 -OEChem-05092407223D 40 42 0 0 0 0 0 0 0999 V2000 2.0197 -2.4595 -0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 0.2237 0.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 -0.2429 0.1704 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -0.8733 -0.1036 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1935 1.4309 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 1.2088 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8172 -0.6664 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5313 0.5321 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1411 -1.2829 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 0.5141 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3708 -0.8399 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0237 -0.5162 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.8330 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 -0.2188 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 1.1002 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.1240 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -1.2968 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0632 0.4740 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 -1.8933 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5256 0.8492 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 1.6976 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 1.9835 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 -0.0933 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 -1.4829 1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 -0.1131 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2383 1.3120 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5566 -1.8602 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9537 -1.9863 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0915 -0.0613 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -1.5300 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8062 -1.3881 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3113 -1.5437 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 2.6592 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 3.1578 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4035 -1.6778 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 -2.8980 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3973 -1.8614 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 0.3596 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 1.9317 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 0.5445 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 15 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 16 2 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END > 69929487 > 0.6 > 1 6 4 3 5 2 > 23 1 -0.57 10 0.1 11 0.27 12 -0.15 13 -0.15 14 0.09 15 0.18 16 -0.15 17 0.54 18 0.45 19 0.3 2 -0.84 20 0.06 3 -0.81 32 0.15 33 0.15 34 0.15 4 -0.42 5 -0.63 6 0.37 7 0.37 8 0.27 9 0.27 > 2.2 > 6 1 1 acceptor 1 2 cation 1 3 cation 6 10 12 13 14 15 16 rings 6 2 3 6 7 8 9 rings 6 4 5 14 15 17 18 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 042B0A0F00000001 > 67.3461 > 30.479 > 10 15 18336536231915037784 10447042 23 18411131429168062150 10835480 77 18336255782612831077 11471102 20 18411417306712935412 11796584 16 17022902371596021138 11806522 49 18410294700755955872 12107183 9 17552089398525582755 12236239 1 17489872639698783771 12516196 113 18273494585062100649 12596602 18 16773794844101259827 13140716 1 18053658355127864592 13402501 40 18334579061866480171 13533116 47 17988925556724046083 13544653 18 18409737252703126529 13685833 64 18408327700941145363 13862211 1 18411980226617741162 14251764 18 18202289100631797265 14252887 29 17775293737724057236 14386348 63 18333734628330205987 14573314 32 18114178623162716101 15196674 1 18411137996252120312 15375358 24 18260831496580637603 15961568 22 16878510158430734780 17492 89 18124031231117288742 19141452 34 18339645637675901007 200 152 18131068234288478969 20028762 73 18201717323777810806 20261772 1 18060696199728218038 20279233 1 18259991478571709931 20645477 70 18412825755085352158 21033650 10 16299515946346885012 21267235 1 18341900658324583862 21279426 13 18263641766981671629 21682296 61 17986400996981781566 221357 26 18408316684297316045 221490 88 18263087784919944787 2215653 11 18335976520070954039 22224240 67 18200867491841503320 23402539 116 16515677853487352581 23557571 272 17531239556827965301 23559900 14 18335134341245564169 239999 70 18411985745882779854 26918003 58 18334012808687160145 2871803 45 18334295336221073490 3004659 81 18113336371623361106 314194 84 18201996629621157823 33824 294 18410572877535510346 3545911 37 18409448115673408929 4214541 1 18409166572220171989 42630746 31 18343302587379301908 46194498 28 17749390416284286021 465052 167 18201723959084726630 5104073 3 18270396079959616816 5283173 99 18042398045894245365 542803 24 13695585542623370903 5486654 2 18411425050728802830 9709674 26 18338521815726069279 > 385.8 12.55 2.03 0.75 7.19 0.19 0.02 3.4 -0.84 -1.51 -0.02 0.48 0.02 0.73 > 823.527 > 215 > 2 5 10 $$$$