70588665 -OEChem-04192418553D 38 39 0 0 0 0 0 0 0999 V2000 3.8207 -0.5149 0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 -2.9513 0.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5587 1.2599 -2.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 2.8089 0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6067 -0.9257 -1.4745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9437 1.4051 1.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 -1.4467 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 -0.8203 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 -0.2275 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -2.3526 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 0.0857 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 -2.0395 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 0.6511 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 -1.7791 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 0.1191 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 -0.6520 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9566 -0.8955 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7168 1.4450 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2452 -0.2338 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2045 0.2163 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8037 1.6252 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 2.4182 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2333 0.7392 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9633 2.0652 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 0.4893 1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -3.3054 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 1.0316 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 -2.7483 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 1.1297 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 0.3514 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3169 -1.9207 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 1.7633 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 -1.2620 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4969 3.4500 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2131 0.4646 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7331 2.8226 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 0.9866 -2.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 3.4538 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 20 1 0 0 0 0 3 37 1 0 0 0 0 4 21 1 0 0 0 0 4 38 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 12 2 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 3 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 M END > 70588665 > 0.8 > 1 37 20 17 31 12 49 39 27 14 10 47 46 44 42 19 28 35 23 41 45 29 8 32 6 50 9 48 3 43 40 22 30 13 11 38 33 7 2 18 34 25 21 5 16 15 36 24 4 26 > 37 1 -0.36 10 -0.15 11 -0.15 12 -0.15 13 0.4 14 0.47 15 0.03 16 -0.14 17 -0.18 18 -0.15 19 -0.15 2 -0.57 20 0.66 21 0.66 22 -0.15 23 -0.15 24 -0.15 25 0.15 26 0.15 27 0.15 28 0.15 3 -0.65 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.5 38 0.5 4 -0.65 5 -0.57 6 -0.57 7 0.09 8 0.08 9 -0.15 > 7 > 11 1 1 acceptor 1 13 anion 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 3 3 5 20 anion 3 4 6 21 anion 6 15 18 19 22 23 24 rings 6 7 8 9 10 11 12 rings > 24 > 0 > 0 > 0 > 1 > 0 > 1 > 1 > 043518F900000001 > 72.9616 > 56.484 > 10 15 17967540048002113929 10378564 45 18202007595120973094 10554248 39 18263063445493883175 10591671 39 18408888464745715239 10670039 82 18340493261481241545 10753850 27 11671777166076587303 11796584 16 10735612245091756771 11809386 21 12103575156354986175 11991303 11 17132106979380221855 12166972 35 13254790257417133267 12342043 65 12469173741978880080 13668630 136 15626214720396644687 13782708 43 11887952147118629025 13862211 1 11167940255982781429 14123256 34 9223230788724514681 14216079 64 9871742495600320777 14251751 18 8790884082119892887 14347332 77 11887962038259851291 14528608 73 18343018882950645647 14790565 3 18338797815073119313 14840074 17 17603591824398462917 14931854 50 18059566946385911905 15183329 4 17203334385808594095 15475509 35 11239720721762029486 15510800 12 11671787108625802060 15575132 122 18040995082385288413 15961568 22 18187931630035077061 18222031 100 11887680597695548730 18608769 82 18339922732055222891 190975 80 10953752122363875453 20058555 10 18335136437364158893 20281389 69 18259980449343652593 20715895 44 18411978096451028360 21130935 74 11241968162110497061 21150785 3 13973961047484223088 21304253 335 18260551142606111788 21315763 87 11169916091004684996 21637258 2 12823293472994995515 23569914 152 17054443842565672373 25122255 55 11671768404369911509 2748736 6 18334285479403270893 2838139 119 18411974754707800947 29717793 49 16271931501745183786 312425 54 11458419116386498021 34797466 226 17346316037636505337 4058900 60 18263373520568218395 406291 66 12894808969510196596 44249763 50 17630589318441768602 465052 167 8286198378971862003 5104073 3 16226327148486580808 54583773 228 18410004405483677429 56616090 163 18410579487189823247 59682541 35 7853565774239191022 59682541 52 16845294908144174869 636775 8 7925090204223121776 7808743 9 18409157836304009179 7970288 3 9511192844931104432 > 458.69 19.39 2.74 1.19 13.28 0.03 0.21 14.65 5.47 -0.04 -0.21 -2.24 0.39 0.63 > 981.288 > 251.6 > 2 5 10 $$$$