60167866 -OEChem-04252421193D 47 50 0 0 0 0 0 0 0999 V2000 -6.3525 -0.8620 -0.5115 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.5789 -1.1127 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 2.6717 -0.7719 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 0.7940 -0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 -0.7761 0.1617 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0144 0.9249 1.5606 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2841 -0.1267 0.4608 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1521 -1.0320 0.8987 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 1.9745 -1.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8029 1.2461 -1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 2.0746 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -1.0845 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6526 2.8349 1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.2894 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7554 -0.1351 -1.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 1.9511 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 -0.1064 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 -1.4102 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -0.8112 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 1.2749 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6275 2.2015 1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8013 -2.0886 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 4.2457 1.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 -2.7401 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1313 -0.3608 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1511 -3.4187 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 -3.7444 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2557 -2.1120 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5378 -2.2531 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 2.7013 -2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 1.2992 -2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 3.5067 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -0.6977 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 3.0274 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -1.8846 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 1.8613 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 2.7073 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7746 -1.8561 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 4.6838 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 4.8646 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 4.3070 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4385 -3.0181 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2876 0.1527 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -4.2007 0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7343 -4.7800 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 -2.8467 0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0428 -3.1552 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 32 1 0 0 0 0 4 11 2 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 28 1 0 0 0 0 6 14 2 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 22 2 0 0 0 0 13 21 2 0 0 0 0 13 23 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 2 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END > 60167866 > 0.8 > 11 98 14 85 89 39 104 73 132 139 120 91 62 72 92 127 107 116 82 129 94 100 71 148 33 136 23 102 80 130 95 111 122 103 77 134 133 142 27 64 154 46 126 74 59 6 26 114 88 57 83 118 35 117 66 143 32 105 37 8 124 28 25 81 42 47 101 69 153 140 60 56 36 40 78 43 1 22 79 21 144 44 41 131 157 135 123 110 10 63 7 9 112 113 34 18 65 106 75 12 99 24 50 145 96 108 87 115 4 16 48 67 90 68 152 121 147 125 54 20 31 5 3 109 156 119 128 70 141 61 155 19 38 17 58 84 149 2 13 150 52 146 53 86 45 30 97 51 55 49 76 137 29 151 93 15 138 > 40 1 -0.34 10 -0.14 11 0.41 13 -0.14 14 0.62 15 -0.15 16 -0.15 17 -0.02 18 -0.14 19 -0.15 2 -0.34 20 -0.15 21 0.16 22 -0.15 23 0.14 24 -0.15 25 0.82 26 -0.15 27 -0.15 28 -0.3 29 0.08 3 -0.87 32 0.4 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.62 42 0.15 44 0.15 45 0.15 46 0.15 47 0.15 5 0.59 6 -0.62 7 -0.42 8 -0.23 9 0.51 > 6 > 7 1 3 donor 3 3 4 11 cation 3 4 6 14 cation 5 5 7 8 28 29 rings 6 10 15 16 17 19 20 rings 6 12 18 22 24 26 27 rings 6 4 6 11 13 14 21 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 039616BA0000000B > 86.721 > 35.659 > 10483366 6 18115852028848481677 10622 236 18265605674937897030 10674148 151 15574701483052493845 11456790 92 18339372941912816675 11552529 35 18338792317741541480 12166972 35 18040999604357687687 12553582 1 17983611707738172085 12633257 1 18130242462269958368 12788726 201 18341067275386215069 12838863 1 18341884212879665735 13004483 165 18342457079600687189 14068700 675 18409163329134540404 14117953 113 18337107874069785599 14705955 166 17274543113841189809 14844126 61 18410580552399248497 14950920 106 18272083847926186256 15250474 111 18408611349023458598 15297060 5 18129660786596379635 15420108 30 17832142723485968688 15439362 3 17325477814654190581 15728490 51 18409728504761826702 17857418 61 18334576845926884974 19319366 153 17255973788635476036 20028762 73 18410573981627546262 21033648 29 16056337075869882299 21304303 282 17983294829631630533 23559900 14 18126844030979597857 255183 313 18055654832295713241 3004659 81 18114176475515634890 3178227 256 18196964196115384529 339767 52 18410009957187943751 3680242 22 18264785400940620931 463206 1 18265058114036478099 484985 159 18188479160622986086 50080093 196 17824248311925696346 5085150 59 18342167818075180695 559249 180 18259983743509618061 57035037 87 14189582897844022179 57527295 17 17695636534611861061 5924683 9 18340488876614693824 613672 6 18130237046347548015 6201320 77 16953687127513752787 6700243 42 16087251155588746023 > 552.37 14.52 4.53 1.32 18.04 0.5 0.01 -11.67 2.34 -3.5 1.11 0.06 0.95 -2.45 > 1216.851 > 298.5 > 2 5 10 $$$$