11717074 -OEChem-05052419353D 50 52 0 1 0 0 0 0 0999 V2000 5.6914 0.8675 0.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2336 -0.5561 -0.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 0.6366 1.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 1.9717 -0.3550 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.7149 1.0890 -0.4011 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2280 -0.0729 -0.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4353 1.5410 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 0.2166 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 2.0407 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2015 0.7859 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 1.1762 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -1.4573 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -0.5150 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3858 1.3879 0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2154 -1.9404 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -2.2199 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 -0.2997 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 0.6514 0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4335 1.6678 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6341 3.0502 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -3.2045 1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 -3.4840 -0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -3.9763 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 0.5599 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 0.0837 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4202 1.9152 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1989 -0.0885 -1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6077 0.7109 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 2.3483 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 2.1285 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 3.0464 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4678 -0.0150 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 0.4089 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 -1.2624 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 2.1387 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 -1.3612 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 -1.8513 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7637 -0.9068 -1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6932 1.3703 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0553 2.5314 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 3.5156 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3652 3.8664 -1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 2.7180 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1408 -3.5867 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1112 -4.0852 -1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 -4.9602 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6461 0.3871 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6463 0.2863 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5505 -0.9829 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4337 -1.2756 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 24 1 0 0 0 0 2 50 1 0 0 0 0 3 24 2 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 21 1 0 0 0 0 15 36 1 0 0 0 0 16 22 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 19 24 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END > 11717074 > 0.8 > 1 4 11 3 14 6 7 8 13 2 10 15 9 12 5 > 32 1 -0.36 10 0.27 11 -0.14 12 -0.14 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 0.08 19 0.33 2 -0.65 20 0.27 21 -0.15 22 -0.15 23 -0.15 24 0.66 25 0.28 3 -0.57 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.81 44 0.15 45 0.15 46 0.15 50 0.5 6 0.29 8 -0.14 9 0.14 > 6.8 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 3 2 3 24 anion 6 12 15 16 21 22 23 rings 6 5 6 7 8 9 11 rings 6 8 11 13 14 17 18 rings > 25 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 00B2C9D200000001 > 81.4546 > 40.674 > 10119406 146 18271258110430576454 10906281 52 17845952787590161684 1100329 8 18338517559476977280 11007060 377 18341326798690364616 11488393 25 17983023254026834751 11578080 2 16126388194025469018 12035758 1 18342185500175658537 12236239 1 16587744222597419580 12293681 4 17846225483062603393 12788726 201 17899149478970623974 12930653 34 18263926527877798381 13052359 8 18335703883530815971 13140716 1 18128253583400949264 13583140 156 17095507505218467829 14787075 74 18272649069284147941 14790565 3 18339642214054456616 14866123 147 18337102462311174618 15042514 8 18263647432049030347 15209289 33 18272370888858472709 15849732 13 17676210165287490108 15927050 60 18410852131930467062 19591789 44 18338513032649811263 20197701 30 18335419006823696190 20567600 347 18115028498464485955 21033648 29 18339626872384205400 21236236 1 18272086162232940023 21421861 104 17764041168385535049 22224240 67 18413111654527074777 22393880 68 18122064200234835501 22956985 138 17461718398782345651 23558518 356 18049713315443489636 23559900 14 18273491278907830448 3178227 256 18337403690316713841 3383291 50 18127132975089702094 3759504 43 18333448733721364980 4258327 124 17969523652662352828 4340502 62 18408604730315214756 469060 322 17822558513219622023 474229 33 18408042909806297549 5265222 85 18263093253035610068 57527306 92 16774081744054481433 58260988 521 18261693509744699491 59755656 520 18335134280952505014 6669772 16 18270964536066905798 7226269 152 18273211993684076024 81228 2 17977650232848521759 > 491.9 10.26 3.86 1.26 7.18 3.97 -0.14 -5.33 -0.25 -3.35 -0.21 -0.37 0.02 0.74 > 1048.12 > 272.5 > 2 5 10 $$$$