16306084 -OEChem-04262405403D 65 68 0 0 0 0 0 0 0999 V2000 5.8810 -0.8431 -1.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4409 -2.7852 0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9152 1.5763 -0.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -0.1188 -0.6257 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0145 0.1527 0.2599 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 -1.3203 -0.3715 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2396 -0.6024 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 1.0845 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 0.6951 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2867 -1.1792 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 0.2208 -0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3489 1.5888 1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 1.2097 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2085 2.2252 0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6516 0.7177 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 -0.1592 -1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -2.0831 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 -0.0671 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3012 -1.8072 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -1.1062 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -1.1080 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -0.4641 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0315 -0.8544 0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2678 -0.2496 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 0.5340 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3348 0.7655 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 1.1459 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4389 -0.6299 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 1.3703 -0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7245 0.9799 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6587 -0.0182 0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0550 1.1297 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 -1.4906 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6586 -0.9719 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 0.5804 2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4034 1.9617 1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 1.2005 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4804 1.4729 -1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 -0.7482 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 -1.8046 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7347 0.7557 -1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9564 -0.4656 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1505 2.3451 2.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 0.7856 2.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6828 0.6547 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7252 1.7558 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 2.9254 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 2.8181 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 1.6394 -0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 0.9858 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 0.4751 -1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2947 -0.5467 -2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 -2.6156 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 -2.8411 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5319 -0.6623 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 -1.5986 1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9755 -1.6370 1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 0.8833 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1916 1.9270 -1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4098 -1.4081 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6398 2.1526 -1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5150 -0.3693 1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2768 0.0765 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9499 1.3330 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9136 1.7106 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 2 0 0 0 0 3 30 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 17 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 59 1 0 0 0 0 28 31 2 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > 16306084 > 1.4 > 1 10 18 4 12 9 14 5 2 6 7 17 13 15 16 8 11 3 > 34 1 -0.57 10 0.27 15 0.33 16 0.3 17 0.3 18 0.57 19 0.62 2 -0.57 20 -0.14 21 -0.18 22 0.03 23 -0.15 25 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.36 30 0.08 31 -0.15 32 0.28 4 -0.81 5 -0.66 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.66 60 0.15 61 0.15 62 0.15 7 0.3 8 0.3 9 0.27 > 9.6 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 6 22 23 24 25 26 27 rings 6 24 26 28 29 30 31 rings 6 4 6 9 10 16 17 rings 7 5 7 8 11 12 13 14 rings > 32 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 00F8CFA400000001 > 91.9256 > 40.624 > 10 15 18040996241234881266 10076449 9 12247680470522639587 10168742 298 11240001191548334304 10299344 5 15285358427362120642 10533779 47 16588587496396780131 11061554 47 18410293576134622157 11408170 108 12107780783704096033 11409948 35 18270123410732109590 11463208 3 10737550715328026608 11607047 141 18335128763053777362 11638347 137 13334740128659979851 12498461 61 12757156805493188633 12522641 33 17203613674905726750 12539745 222 12179835087976631511 12559415 43 18411691088976899577 12664476 115 18186799184576989005 12838862 33 18260256448421625501 13673619 4 11602813610655140398 14040221 8 14692578706267910955 14150022 121 17240759541647902269 14251764 46 18409168805070045847 14251920 17 18413106161822981177 14344974 52 17918270983216319863 150020 25 10735876166721569750 15247644 1 12251900391349246856 15289351 153 18341326679084855874 15419008 145 16805316670334228525 15461852 350 17703503397752271375 155225 1 18341895182425923665 1577012 14 18412816993225954918 16728433 281 14978572577691302539 1754911 235 17275384313198016745 1818759 1 7925912586568037433 19302320 297 18113617919788953316 19315958 150 18412547613799965206 20105231 36 9007057963640225137 20156587 128 15195015911503477464 2026 5 10665212749201799496 20505436 4 18343575244230160974 20721686 124 17632864110403132206 21267235 1 9511461121831789687 21362267 2 17846203489110997000 21362267 313 17895469220605529056 21585481 151 8142080971421728641 21792934 111 18060413622384698840 232437 2 9655576305459340245 23524908 199 17632584821484912694 23576562 1 14835542786799109720 25269216 80 16844994819729153087 306946 40 18342452647231529889 3178227 256 17312820503235003596 397638 26 18260828232495235170 44280117 145 18200310065411924751 4760202 170 17346594214648558992 4874694 18 17967814938926582235 54039377 194 9079115561814520843 636775 72 18337390440670334925 636775 8 14045731657136608533 9937071 3 11386364837794595656 9962374 69 12540704755197972594 > 625.99 41.22 1.91 1.21 1.51 0.4 0.15 -25.78 7.12 -0.93 0.34 -0.94 -0.22 2.66 > 1323.591 > 349.5 > 2 5 10 $$$$