70510185 -OEChem-03282415453D 50 53 0 0 0 0 0 0 0999 V2000 1.4374 4.4357 -0.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1218 -1.1534 0.7905 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 -0.2213 -2.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9106 -0.4376 -1.0375 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5286 -0.7132 -0.4659 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 -2.6978 -1.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 -0.8637 1.1643 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5298 -1.3950 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5036 -0.5001 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2278 0.6461 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0415 0.7928 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -2.8682 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -3.4407 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -1.4197 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 -0.8254 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 2.0804 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 1.7667 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 3.1906 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3434 3.0325 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8682 -0.6247 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -0.7730 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 -0.3451 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9673 0.4045 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3161 -1.1476 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 4.5270 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8333 0.6370 0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 -1.5897 0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3728 -0.6169 2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5375 0.1202 2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -3.3451 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 -3.0861 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 -3.4334 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -4.4863 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -0.1173 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -1.8292 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 2.1423 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 1.6991 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 3.9017 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 0.8071 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1992 -1.8357 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 -0.1355 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 5.5871 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 4.0115 -0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 4.1849 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7369 1.2201 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 -1.5968 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 -2.5935 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5971 -0.9214 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0965 -1.0419 3.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 0.2889 2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 6 14 2 0 0 0 0 7 22 1 0 0 0 0 7 28 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 29 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END > 70510185 > 1 > 2 26 33 59 58 29 46 32 39 22 44 9 60 49 55 31 43 57 27 42 50 5 37 35 56 34 47 51 23 54 19 6 17 40 52 18 15 25 7 30 21 3 12 38 20 53 4 14 11 45 36 28 1 41 48 13 24 10 16 8 > 34 1 -0.36 10 -0.15 12 0.18 13 0.25 14 0.46 15 0.24 16 -0.15 17 -0.15 18 0.08 19 -0.15 2 -0.43 20 0.48 21 0.66 22 0.4 23 -0.15 24 0.28 25 0.28 26 -0.15 28 0.16 29 -0.15 3 -0.57 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 45 0.15 49 0.15 5 0.29 50 0.15 6 -0.7 7 -0.62 8 -0.33 9 -0.18 > 7.4 > 9 1 1 acceptor 1 3 acceptor 1 4 acceptor 1 7 acceptor 3 5 6 14 cation 5 5 8 9 10 11 rings 6 10 11 16 17 18 19 rings 6 5 6 8 12 13 14 rings 6 7 22 23 26 28 29 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0433E66900000002 > 76.136 > 45.856 > 10006869 2 18049994498663059067 10162869 55 18343304748612995985 1100329 8 18411135882911926394 11640471 11 17845942922345259705 12035758 1 18412830183238890850 12553582 1 18336809932262197442 12788726 201 18189605056857522546 13009979 54 17988073525802393603 13140716 1 18337669844638676907 13257819 101 13829852353109073857 13540713 5 18056476390333839135 13590594 115 18410576162843152848 14466204 15 18340491041405006537 14739800 52 17129574897947681793 14790565 3 18410860940660146604 14955137 171 18336557052908731170 15081414 286 18270690757439012887 15238133 3 18189349991465896517 15475509 8 17987260874966328588 15927050 60 17978237385117028284 1601671 61 18411987927272355455 16112460 7 18343023328231481904 17980427 23 17489302027123221428 1813 80 18271255940854445636 19591789 44 18339075982666471228 20600515 1 18202008746008515614 20642791 35 18267876145670399292 20739085 24 18334586762674471413 21033648 29 17845357882884575025 21304253 13 18342737399511094984 21792961 116 17823408310742500638 21796203 349 18192742044518910784 22182313 1 18124595280012268926 22849341 161 18412833486084624224 23559900 14 18269259314407876874 2838139 119 14692563300109573827 3178227 256 18336560355996726771 352729 6 16459379877722579028 3552219 110 18041860428101112444 44802255 64 13614230504252455496 469060 322 18267032669621773352 513202 73 18050573941322981058 9896288 288 17910679757359668200 > 558.39 12.35 4.31 1.47 8.7 5.05 0.22 -5.23 5.99 3.72 -0.58 -1.95 -0.34 -0.42 > 1221.96 > 301.6 > 2 5 10 $$$$