239152 -OEChem-05251301593D 54 55 0 0 0 0 0 0 0999 V2000 -1.1124 -3.7761 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7911 1.1613 -0.4584 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 0.7094 -0.0654 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 -3.1597 0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 0.4081 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7126 0.0689 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9818 0.5438 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8324 2.5592 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5868 1.2532 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6584 0.8201 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 -1.0817 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 -1.1756 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -1.8582 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -0.9367 -0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0545 -0.0326 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 1.0077 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -0.4633 -1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -1.6815 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 -0.6662 1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 0.2628 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 -1.0969 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 -0.2257 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 2.6930 1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1426 2.6878 1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 1.9787 -2.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6628 1.3141 -1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -0.0828 -1.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 3.1000 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5764 3.0854 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 1.2582 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4334 0.6406 2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6434 -0.1154 -1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7254 1.0157 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 -1.4618 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 0.3747 2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 2.0400 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -0.4196 -2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 -2.7255 -0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -0.7436 2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 0.7659 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 -1.5110 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 0.4367 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.9848 0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -0.7354 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 2.1141 2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 2.3655 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2012 3.7428 1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0532 2.7778 1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4939 3.3415 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5594 3.0724 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 2.9357 -1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0215 1.8954 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5921 2.0278 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 -4.7008 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 54 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 5 16 1 0 0 0 0 6 15 2 0 0 0 0 6 17 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 23 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 24 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 25 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 19 2 0 0 0 0 12 21 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 M END > 239152 > 0.8 > 3 8 4 14 1 12 18 15 17 16 13 6 11 2 9 7 10 5 > 30 1 -0.34 10 0.37 11 0.09 12 0.09 13 0.28 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.84 20 -0.15 21 -0.15 3 -0.84 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.51 40 0.15 41 0.15 5 0.1 54 0.4 6 0.1 7 0.37 8 0.37 9 0.37 > 8 > 6 1 1 anion 1 2 cation 1 3 cation 1 4 acceptor 6 5 11 14 16 18 20 rings 6 6 12 15 17 19 21 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0003A63000000003 > 102.788 > 30.446 > 10 15 16950291714693252661 10319926 262 16009029428322285467 11089746 13 18202845457193376852 11796584 16 13326850003159647789 12236239 1 17846216609665697431 12422481 6 17313100856434531556 12633257 1 16009041617365611715 12769317 202 18340478993604834257 12788726 201 16844457012113427345 13103583 49 12757154554565801917 13402501 40 18260260845819965868 13583140 156 15791999130154949311 13673619 4 13182730481915386231 13690498 29 16915645094454170215 14341114 176 11963381938887003952 14790565 3 18340775844775734225 14848178 96 18411978070100975625 14950920 106 14418142837221111669 15081414 286 18335428928177382580 15183329 4 18131633369910931060 15238133 3 16153433822284395142 15510800 12 11167640115474770605 17870717 6 14117797999489946749 18222031 100 9727345792896101095 18608769 82 18199189667110040819 193927 3 10159702412390282190 20281389 69 18114179748207075932 20715895 44 18342177787147935920 21033648 29 18186795907284592996 21279426 13 18342182193784050174 21401589 2 18187649132702720745 21859007 373 18042108900469856548 23198884 109 17775283868063589669 23402655 69 18202565068294707590 23559900 14 14117503338373034227 25122255 55 11167935896617902285 2748736 6 18412256259560054384 2838139 119 18202283584781121641 312425 54 12973602218612913581 314194 84 9222934989810046391 335352 9 18411422813462434966 474 4 18411700971928022155 5104073 3 18115301306555980770 53917941 68 18339913934959802575 57724786 102 17968382372466956588 59755656 520 18335140907744462739 633830 44 18270685264471396343 7918774 8 10735877326125512381 9862886 166 13326847846822568068 > 493.68 15.91 3.08 1.42 5.09 0.72 0.26 -13.18 2.15 0.34 -0.88 -1.89 -0.63 0.68 > 1027.119 > 282.3 > 2 5 10 $$$$