1837 -OEChem-03282408143D 33 34 0 0 0 0 0 0 0999 V2000 1.3281 -2.4153 -0.1257 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 0.2901 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -1.0531 0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 -0.5566 0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 -0.2660 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 -0.2281 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 -1.1447 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -2.3700 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 1.1141 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 1.5628 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 -0.7107 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 0.6627 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6466 0.6330 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7181 1.4586 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 3.0233 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -1.3039 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 0.3219 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -1.1438 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 0.4885 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -3.2794 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 -3.2587 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 1.8196 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 -1.4109 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4148 1.0201 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 -0.2449 -1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 1.4283 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6524 0.9612 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 1.9441 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 2.2091 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3892 1.1788 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 3.2958 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 3.2948 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 3.6210 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 M END > 1837 > 0.6 > 1 6 8 9 3 4 2 10 5 7 > 19 1 0.03 10 -0.14 11 -0.15 12 -0.15 13 0.27 14 0.27 15 0.14 2 -0.81 20 0.15 21 0.27 22 0.15 23 0.15 24 0.15 3 -0.18 4 0.18 6 0.27 7 -0.15 8 -0.3 9 -0.15 > 3 > 5 1 1 cation 1 1 donor 1 2 cation 5 1 3 5 7 8 rings 6 5 7 9 10 11 12 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000072D00000001 > 27.4702 > 25.463 > 10608611 8 18336832016625025593 11471102 20 18410009905743021870 11796584 16 14548466756101569404 12654215 9 18335423448146784798 12730499 353 18261396629179343931 13294875 104 18262222387880947106 13922767 16 18409446990449934842 14250199 8 18340202999581354309 14251717 144 18411978027346195631 14415576 193 18410858763105829037 14911166 2 18340217331971597838 15279308 100 18265343978711903676 15442244 35 17909272381905778969 16945 1 18341348750853445306 17134986 127 18337669818921341462 1741750 31 18195246852350327816 18186145 218 18412833485983968385 20606313 2 18410292471715382590 21499 59 18410570734225185583 21524375 3 18334855056116618491 21639500 275 18410004416922484663 22096605 113 18410571799456248187 22289505 5 18191294980074547077 22892500 29 18335415746874745598 231179 274 17894624834003119677 23402655 69 18342454812105796805 23559900 14 18200326541154086420 23598291 2 17843402878301445871 25 1 18408890615701319818 2748010 2 18123768696845600466 3060560 45 18341891861936377294 4072396 5 18263629711441215898 43658 37 18268138928442684497 474 4 18409728478227456625 633830 44 18272664441035371429 7832392 63 17837215878921796297 84936 182 18130785693717216040 > 298.73 7.32 2.62 0.86 7.65 0.36 0.06 4.06 1.69 -2.04 -0.18 0.68 0.1 0.11 > 629.687 > 172.1 > 2 5 10 $$$$