10250276 -OEChem-04232413463D 56 60 0 0 0 0 0 0 0999 V2000 -6.6967 -2.7631 -0.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 2.6701 -0.2252 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0433 -1.7518 0.1356 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 0.8445 0.5823 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 -0.8478 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 -0.0468 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 -0.9971 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4617 -2.5997 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 2.1450 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -1.9606 1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5922 -3.5250 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2482 2.6434 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6111 1.5963 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0663 0.5045 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 1.6220 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 2.9105 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 3.9704 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 0.4642 0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2877 -0.5089 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 4.2240 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 4.7480 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0847 -1.6037 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 0.3596 1.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4891 -1.6931 1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 -0.7168 2.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8832 -0.4194 -1.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 -2.5768 -0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 -2.8244 1.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -1.3953 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 -2.4720 -2.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 -0.1716 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 -1.4307 -0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1058 -0.7169 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2426 0.5837 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5685 -0.2996 -0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9508 -0.4291 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 -3.2089 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8051 -1.9783 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9995 -2.6102 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1861 -1.3983 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9458 -4.1140 -1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2612 -4.2280 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -0.4844 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6796 2.5116 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 4.4054 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3975 4.8453 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 5.7722 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0449 1.1124 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 -0.7793 3.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 0.4052 -2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 -3.4347 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 -2.7304 2.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8153 -3.7800 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2949 -2.8476 1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -1.3143 -3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -3.2312 -3.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 22 1 0 0 0 0 19 26 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 27 2 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 1 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 M END > 10250276 > 0.8 > 1 88 115 62 78 50 57 100 159 9 94 19 113 160 18 145 84 147 122 151 121 134 150 56 157 71 141 117 69 54 103 83 161 111 39 138 118 139 152 114 64 95 146 153 72 92 144 12 63 105 128 53 102 155 136 112 120 123 149 91 119 99 154 131 85 140 96 82 7 73 97 158 49 129 143 6 130 41 21 124 162 142 70 133 55 23 51 47 106 104 81 37 109 76 32 86 46 66 61 52 156 28 137 25 5 13 98 75 74 135 93 108 163 40 89 127 110 77 17 87 29 27 90 4 44 20 43 59 80 33 125 107 48 31 3 35 38 67 116 68 10 60 8 132 101 24 34 26 11 58 16 79 45 30 15 126 42 22 14 148 65 36 2 > 38 1 -0.56 10 0.28 11 0.28 13 -0.09 14 -0.3 15 0.57 16 -0.15 17 -0.15 18 0.09 2 -0.57 20 -0.15 21 -0.15 23 -0.15 24 -0.14 25 -0.15 26 -0.15 27 -0.15 28 0.14 29 -0.15 3 -0.81 30 -0.15 4 0.05 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 0.27 50 0.15 51 0.15 55 0.15 56 0.15 6 0.26 7 0.27 8 0.27 9 -0.15 > 6.2 > 9 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 5 4 9 12 13 14 rings 6 1 3 7 8 10 11 rings 6 18 19 22 23 24 25 rings 6 19 22 26 27 29 30 rings 6 9 12 16 17 20 21 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 009C682400000001 > 83.2468 > 45.793 > 10258939 38 18191000469698500888 10622 236 17823126822860121138 10928967 22 18336560334253651091 11796584 16 17834680392830222478 11991303 11 17679022600436996045 12107183 9 18341344379220082785 12166972 35 17603861196162873818 12342043 65 17488196906563823046 12422481 6 17917443003710793423 12623949 98 18059299858573274366 12788726 201 18261123953830785554 13690498 29 18265634103489011310 13692114 37 18055916494783322705 13785724 45 18341065094149373543 13878862 14 10230383328293730763 14114206 34 17458357299009715201 14848178 96 9006789691250343235 14910700 183 17764575908957554200 15042514 8 18335978658812479161 15131766 46 15216163931216592988 15324884 4 17701242635096024596 15420108 30 17264394926602445480 15467298 65 17263561505980679543 15484559 13 17689728879446896412 15664445 248 18122356936442287892 17492 89 18335975398689045912 1813 80 18339647836377032945 18603816 31 17393876268185592378 19301679 30 18340491153538224035 1979834 28 17417539110923679199 21133410 58 18122323934631523639 21478907 32 18408317792187959849 21703447 108 18409440419166348752 21781051 124 17827097112362004913 22033318 11 18051730813177531897 22849339 104 17979652133937209332 23536364 44 18115285818993308965 23559900 14 17909553857737149020 3103668 31 18188202093269853485 3380486 145 17273670127605664436 44062 13 18194125118250194403 508706 21 18126000468730704982 613672 6 18340188778818115023 7399639 24 18129084784074321808 7970288 3 18335974354975823427 > 595.69 13.52 5.75 1.86 10.99 4.86 0.43 -19.51 -1.99 6.71 1.65 -3.35 -1.35 0.55 > 1321.405 > 320.8 > 2 5 10 $$$$