60579211 -OEChem-04232416593D 46 49 0 0 0 0 0 0 0999 V2000 6.9265 -0.1189 -0.4909 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1411 -1.8182 -1.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 -1.8460 1.2131 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3537 -2.1571 -0.9366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4425 -0.7682 0.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 0.1914 0.1679 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 -0.0030 1.0398 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 -1.8044 -0.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 -1.4037 0.0490 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0372 -0.7847 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 -1.0013 1.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 0.3042 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7495 0.0810 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 -1.7766 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 0.7748 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -1.1768 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 0.0032 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 2.1524 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 0.6019 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 0.6094 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 2.7584 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 -0.0083 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8689 1.9871 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5242 -1.2794 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 1.7944 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2335 0.5644 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0023 2.3687 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7024 1.7551 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -1.7637 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -0.6060 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -0.9824 2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 -1.9895 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 0.1980 -1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 1.2948 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 1.0493 1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.1705 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2517 -2.7350 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 -1.9664 2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5887 2.7712 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 0.4406 1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 3.8313 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8244 2.4590 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 2.2838 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7929 0.1026 -1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3717 3.2959 1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6153 2.2063 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 24 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 40 1 0 0 0 0 8 16 2 0 0 0 0 8 24 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 23 2 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 23 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 3 -1 9 1 M END > 60579211 > 0.8 > 1 49 39 66 56 72 41 54 70 63 78 29 71 61 60 88 68 64 33 82 21 75 83 18 40 14 74 46 86 23 85 65 84 28 62 57 34 12 73 50 16 52 27 22 43 77 9 67 47 38 59 87 45 79 36 58 53 51 13 32 81 20 5 42 69 2 76 55 15 31 17 30 10 8 80 35 44 48 26 11 25 19 24 6 7 3 37 4 > 36 1 -0.19 10 0.27 11 0.27 12 0.37 13 0.37 14 0.33 15 0.1 16 0.44 17 0.13 18 -0.15 19 0.1 2 -0.57 20 0.19 21 -0.15 22 0.09 23 -0.15 24 0.69 25 -0.15 26 -0.15 27 -0.15 28 -0.15 3 -0.52 39 0.15 4 -0.52 40 0.4 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.81 6 -0.84 7 -0.55 8 -0.66 9 0.91 > 5.2 > 12 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 5 cation 1 6 cation 1 7 donor 1 8 donor 6 15 17 18 20 21 23 rings 6 19 22 25 26 27 28 rings 6 5 6 10 11 12 13 rings 6 7 8 16 19 22 24 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 10 > 039C5D8B00000001 > 100.332 > 61.04 > 10 15 14201400499340775919 10595046 47 18341611580860107495 10670039 82 18342173341709312401 10675989 125 18261110743170883442 10906281 52 17314525905878601820 11089746 13 18408885165704345296 12107183 9 18265612083250148658 12236239 1 18335136484460397699 13673619 4 16557904697397075983 13690498 29 17630321076861320807 13782708 43 16128362831679437359 14117953 113 18341054000618704342 14840074 17 17676206871037251933 14849402 71 8213844965722113862 15064981 113 17560236904178742221 15081414 286 17312822680234907236 15183329 4 18343302552455217073 15510800 12 13182154346529093757 1577012 14 18409727357362116809 17349148 13 14405194988229007042 17780758 139 10809337850557299109 17844677 252 18263936594879882035 17913733 40 16081081576331347545 18222031 100 14908184153240211930 18608769 82 18338804528719134291 20505436 4 18335135355322381771 20511986 3 18059850705947094006 21033648 144 17822002134302496615 21756936 100 18260833709327558923 23198884 109 18411698812012841143 23559900 14 17489575767422813339 2838139 119 18408887356037757737 3004659 81 18343865494351583802 312425 54 9150904892263530647 4073 2 18041004002699766826 4098825 35 18342462556216888819 4169191 19 17751083724595280196 4938544 92 10665492029819389207 497634 4 18261664978810007439 50009960 94 14690353200587566476 5104073 3 17458622354115041682 57724786 102 17240778331618170861 59755656 520 17822010921911092715 6328613 192 18408889550718514768 633830 44 18260264165839949091 7970288 3 10447634804576985845 > 526.44 19.03 2.54 1.33 1.71 0.72 -0.13 8.25 4.53 -0.33 0.12 0.93 -0.41 -1.87 > 1149.901 > 286 > 2 5 10 $$$$