59975276 -OEChem-04252409443D 39 41 0 0 0 0 0 0 0999 V2000 -0.7890 -2.2452 0.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 -2.6671 0.1103 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3402 -0.7291 0.9748 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 0.1272 1.1177 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2607 -0.4517 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3413 0.9329 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 1.3174 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3864 -1.2644 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 1.7850 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -1.0482 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -0.1477 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5752 1.4998 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7024 0.6927 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6077 -0.6869 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 2.2203 0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0102 1.3090 -0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 0.0095 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 0.9032 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 -1.0010 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 0.7863 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 -1.1179 -1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7946 -0.2242 -1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 2.8512 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6609 2.5757 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4892 -1.3101 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 2.0813 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9072 3.2585 0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 2.2579 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1048 1.3678 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8483 0.7240 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1018 2.3182 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 -3.2105 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 -3.1380 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 0.5355 2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 1.6951 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7918 -1.7146 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5384 1.4822 -0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7991 -1.9045 -2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6817 -0.3152 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 11 2 3 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 14 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END > 59975276 > 0.6 > 1 2 3 > 33 1 -0.57 10 0.48 11 0.44 12 -0.15 13 -0.14 14 -0.15 15 0.14 16 0.14 17 0.1 18 -0.15 19 -0.15 2 -0.9 20 -0.15 21 -0.15 22 -0.15 23 0.15 24 0.15 25 0.15 3 -0.49 32 0.4 33 0.4 34 0.4 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.46 5 0.09 6 0.03 7 -0.12 8 0.1 9 -0.18 > 2 > 8 1 1 acceptor 1 2 cation 1 2 donor 1 3 acceptor 1 4 donor 6 17 18 19 20 21 22 rings 6 5 6 7 9 10 11 rings 6 5 6 8 12 13 14 rings > 22 > 0 > 0 > 0 > 1 > 0 > 1 > 120 > 0393266C00000001 > 101.0329 > 40.627 > 10498660 4 18335138670319182968 10554248 39 17461131302954743903 10835480 77 18271520992072018616 12011746 2 18343018878418321293 12236239 1 17385721391872466026 12390115 104 18197500628361126833 12616971 3 16515674542404963154 12670543 26 18342455898463464805 12670546 177 18335143102799441716 12788726 201 18270115708346766176 12954195 1 18129669573413917728 13402501 40 18272373074738435230 13540713 4 18195798794629526385 13544592 145 18273212014894811026 13631057 29 15792588515985460859 13668630 136 15913328000480724844 14386348 63 18202004339176858462 14573314 32 18343584031848194932 14790565 3 17836089974910306225 15048467 5 17385721379056226989 15099037 51 18411978066206668469 15183329 4 18271527502772180698 15475509 8 18129109935202236137 15575132 122 17531805749676854717 17349148 13 12391510922997568289 17870717 6 18342466927918317127 18222031 100 13758353384287535178 19784866 240 15339117939778653884 200 152 16702023058762069410 20645477 70 17561370548280461982 20871999 31 18410860945133838160 21033650 10 17823432491650905588 21267235 1 18338236072522453187 21285901 2 18130509613556831340 21307412 95 18059585658593070199 21637258 2 15482661347469238668 22061861 79 17561085791489580404 22122407 14 15213594346878470669 221357 26 18202278082896457929 2215653 11 18131345302391549149 22393880 68 18336538404160394241 23175994 123 17417811772600644105 23379529 103 17555434486781868407 23402539 116 18408599279822446166 23557571 272 18340210786346330538 23559900 14 18270956946601120168 2838139 119 15502374552127052134 2871803 45 18343588413263527894 3004659 81 18260828138797459442 335352 9 18411133646141398253 3472631 163 17822300110685665484 34797466 226 18272093837481948684 351380 3 14189575222051648452 3759504 43 17385729109934238515 3886686 26 11091722011324976612 4340502 62 15430038716890822361 465052 167 14045734950305697292 5283173 99 18410856525633972924 542803 24 16660362575727712108 59755656 215 18411978036226189767 59755656 520 16225766320210230026 9709674 26 18195243544945642730 > 431.94 13.35 2.11 1.04 5.86 0.36 0.15 -0.75 5.86 -1.45 -0.19 0.74 0.08 1.21 > 949.967 > 232.5 > 2 5 10 $$$$