2766326 -OEChem-05082404163D 55 57 0 0 0 0 0 0 0999 V2000 -0.9725 -1.3706 0.5982 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 0.6178 -0.1875 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1916 -0.0135 0.0646 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2468 1.1746 -1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9927 -0.4067 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4737 1.8021 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2112 0.1694 1.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1910 0.8013 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6376 -0.0321 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 1.2513 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 1.1206 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 2.4459 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 2.4659 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1392 0.0638 -0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 -1.1480 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 -0.4035 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 -1.2070 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 -0.9659 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 -1.0209 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 -1.4475 -1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.3175 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -1.0766 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 -1.5030 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7372 1.9543 -1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 0.3996 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2971 -1.2650 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3477 -0.7808 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1633 2.1688 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1655 2.6716 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8854 0.9241 2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7157 -0.6224 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0020 1.2977 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6481 0.0176 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8409 0.0259 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0687 -0.9732 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 1.3008 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 1.3740 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 0.9811 1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4106 1.1118 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9979 2.4007 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 3.3781 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 2.6839 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1853 3.2654 0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4013 -0.7667 -1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 0.8379 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6948 -1.1059 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -2.0893 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 0.4204 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5251 -1.2043 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -0.1794 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1231 -1.8352 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3454 -0.8462 1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -1.6005 -2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 -0.9341 2.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 -1.7203 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 1 0 0 0 0 19 52 1 0 0 0 0 20 23 2 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 M END > 2766326 > 1.2 > 1 17 32 4 7 20 18 29 30 25 15 3 22 16 12 24 23 21 10 2 5 26 28 27 9 14 31 13 6 11 19 8 > 20 1 -0.36 10 0.27 14 0.27 15 0.41 17 -0.14 18 0.28 19 -0.15 2 -0.81 20 -0.15 21 0.08 22 -0.15 23 -0.15 3 -0.81 4 0.27 5 0.27 52 0.15 53 0.15 54 0.15 55 0.15 9 0.27 > 9.4 > 6 1 1 acceptor 1 2 cation 1 3 cation 6 17 19 20 21 22 23 rings 6 2 4 5 6 7 8 rings 6 3 9 10 11 12 13 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 002A35F600000001 > 38.4042 > 30.446 > 10 15 18040152920601616979 10066227 112 18343863321024122993 10638233 991 17703791418760164625 106641 1 14201400508653501062 10816530 90 18131059472640072848 11646440 116 17822014211328520660 125118 31 18260551103978241005 13540713 5 15696056699167396738 13668630 136 11887947753498908653 13685833 64 9223232948908188334 13955234 65 18042399141132453418 14251757 52 18411135822919489065 14251764 18 13118005495756554766 14461889 52 17167871867643484403 14598715 104 17894898608636816853 14767858 380 17132119034709667099 14933364 13 18409168796981361923 15183329 4 14764348223932822727 15419008 145 17969207963939355320 15510800 12 8502382186610365400 155225 6 17973169706155874476 15690457 1 11458427955350214497 15706992 2 17967825972375214452 17134984 74 12031791362161065132 1768 4 18340493347981747329 18335252 114 18060137635632698868 20157964 124 18272091578735397854 2026 5 9727635003953671165 20281389 69 18260265230922974079 20715895 44 18342176700531551396 20735858 18 15864070970393793099 21033648 29 17968095395657666898 21130935 74 17458907029586660555 21150785 3 14620794903183107290 21267235 1 11386359332358360274 21304304 249 8358260353987662896 22224240 67 17675925404502919147 22956985 138 13625465202606977272 23522609 53 16701480995435160419 23576562 1 16199290157296162065 2838139 119 18411129273363537548 28498 318 9799693688880630435 2916195 48 18260547823002729343 29717793 49 12823290204461729363 3004659 81 13542457657708612043 33382 64 8790893990793983342 33532 11 8574712394811559665 34797466 226 18059861631927151255 4073 2 18272374170520221727 4093350 32 18202848738447905078 4340502 62 17095521790490717186 437815 12 11959729374244836619 445580 126 18343014502542836144 445580 167 18342731949640214551 465052 167 11241964876718601874 5104073 3 16299214710388928445 5312510 48 18272649103834154424 5385378 56 17240474780920904970 5718773 13 8935010269216818004 5758199 1 17675926495139639259 59682541 35 17240488030515067689 636775 72 18261954021931225749 9689198 14 18410014338175580175 9953998 17 17749394763629465465 > 457.5 25.74 2.14 1.14 24.91 1.03 -0.04 18.33 -1.77 -2.94 0.13 0.77 -0.21 1.18 > 935.072 > 265.7 > 2 5 10 $$$$