69345492 -OEChem-04262423293D 41 43 0 1 0 0 0 0 0999 V2000 -1.0417 -0.9965 -1.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 -3.1654 1.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -0.2038 0.3634 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0334 -3.9025 0.2181 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 -0.0723 -1.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -0.4879 0.3349 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3808 -1.6066 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 0.8980 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.5940 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 -0.1688 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7011 1.9138 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 1.1533 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -2.9506 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 0.2842 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3105 0.2459 0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 -0.5462 -1.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -0.0974 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2532 3.1849 0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 2.4243 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -0.5080 -1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 3.4401 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 0.6977 1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9869 0.7247 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 0.3333 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 -0.6275 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3793 -1.7538 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4078 -1.3492 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1973 0.0966 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 1.7296 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 0.3912 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 0.5428 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 -0.8781 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 3.9759 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1119 2.6247 -1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 -0.8080 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5511 4.4300 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 1.0012 2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -3.7033 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 -4.8464 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 1.0416 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 0.3339 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 17 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 13 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 11 29 1 0 0 0 0 12 19 2 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 31 1 0 0 0 0 16 20 2 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > 69345492 > 0.8 > 1 146 130 22 120 140 148 133 7 127 46 147 90 20 95 98 44 145 105 41 100 96 124 92 2 70 50 60 151 125 137 141 39 58 30 103 24 91 45 102 106 144 74 31 72 42 81 94 84 86 131 112 57 27 23 139 129 5 51 69 108 67 138 89 65 33 38 17 68 66 142 97 47 132 32 83 76 16 104 25 64 121 79 128 37 113 135 55 35 109 111 87 80 11 85 61 48 75 99 10 115 21 34 13 123 136 8 126 4 150 149 78 63 43 53 88 36 6 122 9 73 29 77 59 101 118 54 49 40 15 117 107 3 82 143 52 110 12 26 116 114 14 134 152 119 93 18 56 62 71 19 28 > 37 1 -0.57 10 0.12 11 -0.15 12 -0.15 13 0.57 15 -0.15 16 -0.15 17 0.31 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.16 28 0.37 29 0.15 3 -0.55 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.37 39 0.37 4 -0.8 40 0.15 41 0.15 5 -0.62 6 0.2 7 0.06 8 -0.14 9 0.57 > 6 > 8 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 donor 1 5 acceptor 6 10 14 15 16 17 20 rings 6 5 14 17 22 23 24 rings 6 8 11 12 18 19 21 rings > 24 > 0 > 1 > 0 > 0 > 0 > 1 > 9 > 042220D400000001 > 73.7979 > 40.628 > 10291535 26 18272368659580802137 105312 117 18337670806927648973 10912923 1 17676486185824357532 11056379 131 18337396040452711251 11545043 162 18343587360922758810 11796584 16 18339084779488000310 12107183 9 17972868173485920226 12616971 3 16660365870663921684 12788726 201 18044106867268065403 12930653 34 18411420609168869910 13583140 156 18130786772007045438 14068700 675 18043247053786590743 14178342 30 18334017193917828174 14468879 13 17988640757748363287 15463212 79 18188206499219723609 17844677 252 18337956804826571512 17980427 26 17834945379200098663 19489759 90 18410570695254040246 200 152 16009018536264532910 20645477 70 16630250212750742804 21033648 29 17632284688426424136 21033650 10 18189361038053015118 21065201 7 18412549808058566346 21304303 282 18263346037694412183 2132832 1 18042688493009703725 21401589 2 18270970025272194553 21426921 1 18408887369159724699 21792961 116 17846509119467939388 22182313 1 17775018885565876694 22956985 138 16968011727728795331 23557571 272 18342462551257075533 268830 7 14476963432510772930 341906 21 18411133615501691960 376196 1 17841995477595432645 4073 2 18411702076309474226 4409770 3 18335414695689569119 469060 322 18188793711733693721 497634 4 17895470440059950998 508706 21 18271802393633417128 5104073 3 18131357384562119834 531348 171 17845929637204571686 57634706 229 18056780757529066017 59755656 520 18262232219076742631 6677587 24 15728337197239365007 77188 2 17832710445902416475 90127 26 18131632305370672368 9849439 229 18050284761412610321 9981440 41 18201993288300281095 > 467.23 13.48 3.53 1.39 16.82 1.52 0.15 -5.04 -0.37 -9.23 -1 0.76 -0.02 1.44 > 1017.063 > 251.6 > 2 5 10 $$$$