23524208 -OEChem-05102422373D 35 37 0 0 0 0 0 0 0999 V2000 -5.1246 0.1278 -0.7823 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 -1.9935 -1.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4539 0.2530 0.8444 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 -1.0342 1.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4912 -1.8511 1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 1.3356 0.0969 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 0.1863 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 1.2838 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 1.3185 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 0.2192 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 2.3821 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -0.9120 -1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 2.3978 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 1.2510 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 0.1516 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -0.9280 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 0.3141 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1615 0.4768 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -0.8607 0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1137 -0.5353 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5341 -1.8727 1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 -1.7100 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 -0.6113 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 3.2367 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2972 3.2592 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 2.0957 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 2.2685 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1262 -1.7865 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 1.3872 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 -1.0061 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 -0.4087 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -2.7855 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 -2.6462 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -2.4975 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1739 -2.2623 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 35 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 16 28 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 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 34 1 0 0 0 0 M END > 23524208 > 0.8 > 2 6 37 42 7 15 24 39 11 17 45 18 35 10 4 21 16 23 38 30 3 33 20 22 36 13 1 29 26 12 19 9 14 34 41 5 25 44 43 8 28 27 31 40 32 > 32 1 -0.09 10 -0.15 11 -0.15 12 0.08 13 -0.15 14 -0.15 15 0.1 16 -0.15 17 0.1 18 -0.15 19 -0.15 2 -0.53 20 -0.15 21 -0.15 22 -0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.4 28 0.15 29 0.15 3 -0.01 30 0.15 31 0.15 32 0.15 33 0.45 34 0.15 35 0.4 5 -0.4 6 -0.6 9 0.1 > 5 > 6 1 2 donor 1 6 cation 1 6 donor 6 17 18 19 20 21 22 rings 6 7 8 12 14 15 16 rings 6 7 8 9 10 11 13 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 0166F37000000002 > 65.6181 > 30.473 > 10616163 171 18271800186816376854 11796584 16 17749100068004984907 12236239 1 18334012753390934788 12422481 6 17845380955359087519 12553582 1 18270100367382415092 12633257 1 17203603804901717400 12788726 201 18201723916678547936 13140716 1 17987229104776637621 13540713 5 17486485186245067045 13551218 46 18201434719192325086 13862211 1 18201429281689537605 14251764 18 17846493781069048069 14251764 30 18040434412536813139 14713325 29 18043804291249171717 15042514 8 18201148970839199711 15537594 2 18412258450409593558 17492 89 18120931703701863658 17804303 29 17988913466923838096 1813 80 18187089399869929268 18335252 98 17895483625809866440 18769570 83 14405194958454432323 19141452 34 17561356314210074150 20028762 73 17632003260768701031 20157964 124 10159706789131138664 21033648 29 14261343657558966658 21267235 1 18412547583539501942 21637258 2 17312816100139248713 22182313 1 17773603710890222101 22950370 63 18410571799255801052 2297311 6 17989208110518133460 23402539 116 17703496740684857277 23522609 53 18196680512239320093 23559900 14 17916853721387045304 23845131 108 16695287248330274664 25147074 1 17844244253773214653 2838139 119 12391517442974422923 3004659 81 18335977585360012908 312425 54 15697997431526091590 33382 64 17821449049429622403 335352 9 18272925029823667893 34797466 226 16153436047008843484 351380 3 18412257320716864198 46194498 28 17095239250741724316 465052 167 18410859862765097886 5104073 3 17631164367555615099 559249 180 18194391209244946556 56633871 153 18202280281940890727 57724786 102 14907598148234714194 7226269 152 16773800285946149937 8863177 126 18189058762344273867 > 428.14 14.45 2.2 1.19 0.27 0.37 0.08 -8.12 4.18 0.15 0.43 -1.2 -0.6 0.08 > 917.161 > 237.7 > 2 5 10 $$$$