150964 -OEChem-12242200483D 46 46 0 1 0 0 0 0 0999 V2000 -0.3077 -0.2721 -1.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 3.1551 0.8698 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9726 4.0195 -0.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 0.6604 0.4141 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -2.4964 0.1564 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 -0.4313 0.3579 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 0.2682 -0.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1873 -1.2535 0.7572 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -1.1472 0.3761 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1910 -1.0642 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 1.6118 -0.1119 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7598 0.3550 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 1.3995 0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -0.2167 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 0.4534 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 0.0108 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 3.0408 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 -0.2552 -0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5079 -1.0064 1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0261 -1.5381 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0089 -2.2894 0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 -2.5551 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3188 -0.4488 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6871 -0.9246 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.3703 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 -1.7706 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 1.4919 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 1.0650 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 0.6631 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 2.1379 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 1.5922 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 0.6721 1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 0.1796 -1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 1.4940 -0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 -3.1734 0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 -2.5729 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7307 0.5286 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.8133 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6164 -1.7454 -1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 -3.0815 1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -3.5542 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 4.0921 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9633 0.1725 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4734 0.9116 -1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1773 -1.2809 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 -1.8431 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 17 1 0 0 0 0 2 42 1 0 0 0 0 3 17 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 15 1 0 0 0 0 6 23 2 0 0 0 0 7 23 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 23 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END > 150964 > 1 > 1 82 114 20 125 84 21 121 49 9 7 145 91 118 50 14 61 130 75 40 66 56 59 113 39 106 127 117 60 112 97 111 146 104 103 45 57 98 42 101 58 16 67 100 79 123 47 2 41 35 128 64 90 107 89 73 27 15 32 99 119 70 34 37 126 142 17 120 43 78 136 46 76 30 147 131 80 134 124 143 13 69 88 95 148 53 63 6 55 108 92 135 11 141 81 115 122 116 68 86 85 105 133 110 137 23 150 109 38 51 44 93 10 65 139 31 28 83 132 5 96 4 138 19 24 87 8 149 71 18 62 102 26 144 52 36 74 25 48 3 94 12 129 77 140 33 22 72 29 54 > 34 1 -0.57 11 0.36 13 0.14 14 0.57 15 0.25 16 -0.14 17 0.66 18 -0.15 19 -0.15 2 -0.65 20 -0.15 21 -0.15 22 -0.15 23 0.55 3 -0.57 32 0.37 35 0.36 36 0.36 37 0.15 38 0.15 39 0.15 4 -0.73 40 0.15 41 0.15 42 0.5 43 0.4 44 0.4 45 0.4 46 0.4 5 -0.99 6 -0.7 7 -0.85 8 -0.85 9 0.33 > 10 > 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 cation 1 5 donor 1 7 donor 1 8 donor 3 2 3 17 anion 4 6 7 8 23 cation 6 16 18 19 20 21 22 rings > 23 > 2 > 0 > 0 > 0 > 0 > 1 > 4 > 00024DB400000001 > 47.1011 > 55.938 > 11101153 10 18336834194749269684 11315181 36 18186522128530515519 12107183 9 17467624902616494146 12166972 35 17749674102820604516 12403260 363 18335143090072938068 12596602 18 18040151825780705960 12788726 201 18334287661088519210 13073987 5 18408599237700987330 13862211 1 18412261774413678078 14787075 74 18262522605583000073 15021287 119 13614517463670502898 16087824 20 18338796695005221829 17349148 13 17822585970270213862 17980427 23 17895489058595401773 18927931 339 18411427206417536487 20621476 66 8430327852283582471 21236236 1 18411984645690364779 2303208 19 17561092371864846070 23402539 116 18411418414429415006 23557571 272 18201160944891613221 23559900 14 18188204428660754609 4015057 19 14201694111868945270 474229 33 18412262852440127862 57527452 28 16199853056617175917 9996256 80 18413107234974266854 > 430.82 14.7 3.31 1.02 28.77 3.26 -0.12 -8.21 -0.8 -3.94 0.44 -0.54 -0.18 -0.41 > 870.459 > 248.2 > 2 5 10 $$$$