70658654 -OEChem-03282410543D 37 38 0 0 0 0 0 0 0999 V2000 -6.2862 -1.4257 -0.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0421 0.8317 0.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -0.0374 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 0.1623 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7803 0.5480 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 -1.3300 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 1.0627 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 0.7539 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 0.2552 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 0.2624 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0866 0.4480 -1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 0.4552 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 -0.5511 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3214 -1.5226 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 0.8702 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 -2.5359 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 2.4642 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1788 -0.4226 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5487 -0.2886 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5393 1.3600 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 1.3647 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 0.1790 -2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8095 0.1918 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 0.5167 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 0.5295 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 -1.1516 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8346 -1.1323 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -2.5222 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3384 1.7150 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -3.4646 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 -2.5588 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -2.5534 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 3.1988 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 2.6587 0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 2.6529 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2545 -0.5724 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2491 -1.2382 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 37 1 0 0 0 0 2 19 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 15 2 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 19 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 M END > 70658654 > 0.6 > 1 10 5 9 8 4 6 3 7 2 > 25 1 -0.65 10 -0.15 11 -0.15 12 -0.15 13 0.06 14 -0.15 15 -0.15 16 0.14 17 0.14 18 -0.15 19 0.66 2 -0.57 22 0.15 23 0.15 24 0.15 25 0.15 28 0.15 29 0.15 36 0.15 37 0.5 5 -0.14 6 -0.14 7 -0.14 8 0.14 9 -0.15 > 4 > 5 1 1 acceptor 1 2 acceptor 3 1 2 19 anion 6 3 6 7 14 15 18 rings 6 4 5 9 10 11 12 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 04362A5E00000001 > 54.0991 > 25.43 > 10366900 7 17968106300178879984 10595046 47 18412265043105278065 106641 1 16056587798743954355 11287383 113 18334857233949653281 11796584 16 18272089371132861071 12107183 9 17549549509374748673 12236239 1 17847064367848874464 12730499 353 18334863852515336152 12788726 201 17275112695640788627 13167823 11 18341892983276022127 13533116 47 18271807891391593690 13760787 19 18130785685327312415 13760787 5 17703498956956423637 13836976 161 18411422825925337126 14341114 176 18341898489075968373 14911166 2 15647058161707254277 17349148 13 14923940150513304013 17492 89 18057327180179104998 17834072 33 18412825802545893271 17844677 252 18410580578654737921 200 152 18343019977892993209 20645477 70 18410575046325274182 21267235 1 18201162066500212478 22079108 93 18201148945174513778 22224240 67 18334571382912834688 23402539 116 18408601457713925509 23536379 177 18410293593155475665 23557571 272 17385720262327800605 23559900 14 18335701684391340785 239999 70 18272094885527926030 26918003 58 18413389834799541707 3286 77 18261109630515825660 33824 294 18334856095968345498 4073 2 18113625616201224459 4214541 1 18410573942840458405 42630746 31 18412262839934481846 4340502 62 18342172297615222546 465052 167 17988928881007426455 5104073 3 18270674247742879232 69090 78 18186519912322161674 7495541 125 17917708045820850545 77492 1 17703786990838487008 8272917 22 18341616992745552374 9999458 23 18409166645302973812 > 379.27 12.67 1.82 0.92 17.02 0.34 -0.01 2.31 0.07 -1.8 0 0.13 -0.11 -0.02 > 810.248 > 212 > 2 5 10 $$$$