15944878 -OEChem-04252402583D 43 46 0 0 0 0 0 0 0999 V2000 -3.3438 -2.3929 0.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 1.8135 -0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2405 -0.2238 0.5798 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1212 1.6325 0.9267 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8939 -0.6588 0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1307 1.5671 -0.1683 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 -0.1793 -0.1517 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 0.4301 0.5714 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3699 -1.0666 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5548 0.3416 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0041 -1.5779 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 1.2408 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 0.7069 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6022 -1.2092 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -0.2471 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 1.1038 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.6808 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7663 2.0221 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 0.2454 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 1.5955 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 0.5996 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 -0.1519 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7725 0.4950 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 -1.4717 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 -0.2104 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 -2.1771 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 -1.5464 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1515 -1.7272 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4548 -1.0717 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4600 0.3510 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5571 0.7099 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9917 -1.7719 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8032 -2.5367 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 2.2301 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7311 1.3898 -1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 -1.7333 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 3.0788 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 2.3729 -0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 -1.1738 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 1.5342 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 -1.9896 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 -3.2147 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 -2.1269 -0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 13 2 0 0 0 0 6 16 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 2 3 -1 8 1 M END > 15944878 > 0.8 > 1 9 10 3 5 8 4 6 11 7 2 > 33 1 -0.57 11 0.3 12 0.06 13 0.45 14 0.54 15 0.09 16 0.18 17 -0.15 18 -0.15 19 0.12 2 -0.57 20 -0.15 21 0.54 22 0.09 23 -0.15 24 -0.15 25 0.13 26 -0.15 27 -0.15 3 -0.52 36 0.15 37 0.15 38 0.15 39 0.37 4 -0.52 40 0.15 41 0.15 42 0.15 43 0.15 5 -0.42 6 -0.63 7 -0.55 8 0.91 > 4.8 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 7 donor 6 15 16 17 18 19 20 rings 6 22 23 24 25 26 27 rings 6 5 6 13 14 15 16 rings 6 5 9 10 11 12 13 rings > 27 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00F34CAE00000001 > 83.8792 > 50.885 > 10 15 18341326769595654032 10299344 5 17967253100498595898 10835480 77 18341888546422292284 11315181 36 17988926674269812721 11524674 6 17203609289997428967 11719270 70 18413671310235610630 11991303 11 13551486881144243649 12236239 1 17749112201092521085 12516196 113 18272652342001702648 12838862 33 18262784229780109335 13073987 5 18200314312543171088 13288520 33 18408605864603383821 13402501 40 18411984641596240775 13533116 47 13398361122575405996 13685833 64 18410577275101687660 13885169 127 18410011005671647253 14251764 18 18411420622090038949 14251764 46 15646772284462957345 14394314 77 18335422323177012105 14461889 52 18411696600257957218 14856354 85 15068630392319616907 14933364 13 18342739607144916168 15183329 4 18261402130267429255 15419008 47 18060132133215799216 15419008 91 18189035577810701476 15510794 2 18273217478979831222 15716309 27 18060699480998673551 17093844 174 18335139779080264905 18335252 98 18413672409013755282 18608769 82 18411979182544828634 21130935 74 18271811172509464794 21267235 1 18334020497480382059 21315759 40 14707211015183478385 21623969 137 17917715677687754302 21792934 111 18410852179459651633 22224240 67 17203607103479006782 23035841 295 18114183034215357169 23522609 53 18046943465397183221 23559900 14 18411132567360983705 3004659 81 18113621191909999604 335352 9 18408041815206945837 3383291 50 18041568039623280235 34797466 226 17489872635847259676 4073 2 18115030813599779026 4325135 7 18333735724016293732 4339292 15 16128361728600563671 5104073 3 18270962324368971874 559249 180 18333732416838779879 5758199 1 13110965322904015285 59682541 35 18342170099319759776 59755656 215 18260551087035871683 59755656 520 16298387985293564523 6138700 20 18334579023691633835 67856867 119 18261396714868063900 > 512.25 23.28 2.05 0.72 10.38 0.25 -0.01 2.98 -4.27 -0.27 0.12 0.38 0 1.21 > 1132.793 > 270 > 2 5 10 $$$$