16192232 -OEChem-05072417293D 59 62 0 0 0 0 0 0 0999 V2000 -3.1584 -2.1468 0.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 -1.4167 -0.9804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 0.2750 1.6608 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3378 2.2981 -0.0394 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 3.1828 0.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 -0.0325 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 -0.4139 2.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 0.9918 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0352 -0.7944 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2686 0.5616 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 0.6009 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3445 -1.2683 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1695 -0.0788 1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1012 1.0092 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 1.0624 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 0.1110 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8688 2.2813 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 1.0045 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 2.4120 1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4572 -3.3521 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5087 0.4905 -1.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4606 2.6608 -1.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5463 -0.0973 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 1.7655 -2.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3641 -4.2152 0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0209 -0.5076 -1.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 -0.7555 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 -1.5745 -2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 -1.8223 -0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -2.2317 -1.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 0.4344 3.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0653 -1.2428 2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2589 1.9615 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 1.1540 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3301 -0.9724 3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 -1.7374 1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 -0.3142 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 1.3832 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 1.4856 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 -0.0673 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.9975 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 -0.2616 2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1369 -0.8731 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2483 2.9984 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 2.8828 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -3.8903 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 -3.1081 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1535 -0.2037 -2.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 3.6550 -2.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0585 2.6501 -0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7434 2.0618 -3.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6116 -5.1482 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8844 -4.4532 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2922 -3.6833 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -0.0067 -2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0748 -0.4492 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -1.8936 -3.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0939 -2.3344 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1582 -3.0625 -2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 12 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 50 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 43 1 0 0 0 0 17 22 2 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 19 45 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 M END > 16192232 > 1 > 1 91 84 160 189 190 63 60 49 23 124 152 93 155 199 96 28 204 102 62 36 39 178 188 126 149 169 83 43 48 141 134 109 139 114 12 27 88 55 143 90 194 144 106 40 51 122 56 161 120 203 104 181 167 61 24 193 163 92 162 197 70 150 142 59 110 138 87 95 111 140 99 94 119 148 159 131 180 82 33 5 147 179 53 81 170 105 200 97 34 19 158 156 29 151 67 76 73 13 154 47 79 75 183 35 192 85 80 78 98 46 201 64 136 52 38 127 125 108 9 135 177 32 37 168 137 103 22 182 101 72 58 15 130 16 202 176 3 69 117 10 172 89 165 21 129 112 68 145 66 54 166 26 50 184 71 2 20 115 195 171 65 31 77 146 153 175 8 118 30 11 123 173 191 14 107 187 57 164 133 100 116 174 186 18 74 42 17 196 6 185 44 128 25 7 121 4 45 198 113 41 86 132 157 > 39 1 -0.43 10 0.27 11 0.14 12 0.66 13 0.45 14 -0.14 15 -0.18 16 -0.15 17 -0.15 18 -0.2 19 0.14 2 -0.57 20 0.28 21 -0.15 22 -0.15 23 0.05 24 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.81 30 -0.15 4 0.3 43 0.15 44 0.15 45 0.15 48 0.15 49 0.15 5 -0.71 50 0.27 51 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 0.06 9 0.27 > 9.2 > 8 1 2 acceptor 1 3 cation 1 4 donor 1 5 acceptor 5 4 5 15 18 19 rings 6 14 16 17 21 22 24 rings 6 23 26 27 28 29 30 rings 6 3 6 7 8 9 10 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00F712E800000001 > 73.0124 > 40.597 > 105312 117 18261951852286029583 10670039 82 17240766116773385284 11135926 11 17560242569593864216 11513181 2 18043822098125298940 11796584 16 18410013204927122010 12166972 35 17060331895363929944 12596602 18 13190348920047990237 12633046 712 17846223305793655409 12717326 150 16916797240838152263 13690498 29 18261682579090406155 13782708 43 18131071584384660127 13944108 23 16745067581812522789 14347329 18 16733267850482059708 14840074 17 14201409260884500398 15183329 4 18338795598600832584 15392192 29 17629230155378749654 16989378 47 17130177298251578020 17349148 13 16056881329503883012 17857418 61 16056873615705566260 19315092 285 15051439501780283850 19377110 9 11239705439915046362 21033650 10 17894635859120962665 21223535 225 16660939837314083126 22061861 79 18201998811316838300 22122407 14 13551474709212318093 22393880 68 18335416889494717626 23559900 14 18343580742077371752 23572383 38 18201995543358045576 312425 83 18189344618298246628 32027 91 18270684169518518826 34797466 226 18338792416246772853 4015057 19 17989485225375090545 437795 70 18266180522188066260 44062 13 18410580586627403130 46194498 28 18196098969788504312 463206 1 15841255026301858701 508706 21 18271532974761177516 59755656 520 18340776949336261929 6034566 193 15430046447963556787 613672 6 17917157079232626814 6523845 18 18261685762077572849 6608658 132 17458615684658851237 > 590.7 15.36 3.58 2.4 8.7 2.08 0.49 1.79 10.08 -2.8 -0.03 -0.13 0.05 4.87 > 1277.219 > 323.3 > 2 5 10 $$$$