71372672 -OEChem-05112409073D 41 43 0 0 0 0 0 0 0999 V2000 3.1992 2.9260 -0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2685 -1.8452 0.1559 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3657 0.2970 -0.3134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1197 -0.3838 0.3286 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3399 -0.3140 0.0125 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1643 1.9413 -0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7118 -0.7379 -0.0384 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5089 -0.4980 0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 0.6404 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 0.8389 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9307 -0.2683 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 -0.1781 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 0.5679 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -1.7159 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2973 -0.6530 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 1.9237 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5516 -1.7921 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 0.9446 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2486 0.7118 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2189 -1.2031 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -0.1304 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 0.7568 0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8252 -1.1579 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0887 0.6528 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0583 -1.3235 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 -1.2102 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2239 1.4642 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -2.6116 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0199 -2.7582 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 1.9136 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7566 1.4581 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7027 -1.9842 -1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2045 -1.0561 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 1.5242 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 -1.8936 -1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8381 0.5838 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9066 1.6732 0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1688 0.4848 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 -1.2340 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7961 -2.3317 -0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1426 -1.2258 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 3 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 2 2 -1 7 1 M END > 71372672 > 0.8 > 1 3 2 > 35 1 -0.57 10 0.49 11 0.1 12 0.03 13 -0.15 14 -0.15 15 0.13 16 0.69 17 -0.15 18 -0.14 19 -0.15 2 -0.52 20 -0.15 21 -0.18 22 -0.15 23 -0.15 24 0.37 25 0.37 26 0.4 27 0.15 28 0.15 29 0.15 3 -0.52 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.55 5 -0.84 6 -0.66 7 0.91 8 0.1 9 0.09 > 4 > 10 1 1 acceptor 1 2 acceptor 1 2 anion 1 3 acceptor 1 4 donor 1 5 cation 1 6 donor 6 11 12 19 20 22 23 rings 6 4 6 8 9 10 16 rings 6 8 9 13 14 15 17 rings > 25 > 0 > 0 > 0 > 1 > 0 > 1 > 3 > 04410F8000000001 > 98.0777 > 50.888 > 10 15 13183015224987915906 100830 39 18339079269092718049 10299344 5 18341895195062873191 10411042 1 18191865631663809482 106641 1 17775279474728426506 10670039 82 15357970127889188231 11315181 36 17917713509451540483 11524674 6 16056876949175188727 12107183 9 17908992002525725745 12166972 35 18272369784487953905 12236239 1 18202284718699681217 12516196 113 18343017783497137856 12592606 108 18342735239416767247 13165053 371 18341610460634455000 13533116 47 18411418440552932521 13685833 64 18334295361684824675 13862211 1 18335417933994482218 14170010 4 18333731343012858612 14251764 18 18272089405138671199 14251764 46 17458064863159991690 15183329 4 18334008389693424067 15419008 47 16950276313199148845 15461852 350 16200141098445991269 15475509 35 15338573635090635860 15510794 2 17749112223532767419 15690457 1 18131063849169379743 16120349 18 18341046419653117592 17492 89 17901943038239842130 17844677 252 18334297557083578285 17857418 61 18343581854610908087 18335252 98 10159690318844311821 18681886 176 18201431506308536562 20028762 73 18272087189168408918 20612939 158 18260833734422414868 21150785 3 14345797145345341881 21267235 1 18410295800119721709 21315763 28 18411981386691116005 221357 26 18113896056953381125 22224240 67 11959726066713609180 22956985 138 17200816401128699286 23081809 10 18201720695964473165 23522609 53 18194151605441252836 23559900 14 18261954170993609632 28498 318 18409165489808941541 29717793 49 18202006546742744957 3004659 81 18409444799811009121 335352 9 18335424582471948710 3411729 13 16342279467203808992 34797466 226 16845576431505339552 397830 11 15266195098909778878 4073 2 18041846245596511027 4325135 7 18409167705722136782 46194498 28 17240766198735953676 5104073 3 18058734727451609691 559249 180 18273494577184205607 59755656 520 17894910759347151875 > 476.96 23.33 1.93 0.78 16.02 0.55 0 -7.66 0.05 -2.17 0.2 0.65 -0.02 -1.73 > 1038.477 > 258.4 > 2 5 10 $$$$