17587211 -OEChem-05062422083D 38 39 0 0 0 0 0 0 0999 V2000 4.1715 -1.6907 -0.1574 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.3984 2.1447 -0.2649 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 2.1715 1.0756 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 2.1907 -1.0764 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 0.0607 0.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 -2.1336 -0.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7797 -2.1417 1.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 -2.3499 -0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 -1.5871 0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 0.1341 0.2298 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 0.0770 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9942 0.7558 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -0.5523 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1034 0.1387 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6315 0.6756 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 0.7931 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 2.1505 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -0.4011 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 -1.9471 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2935 -0.5650 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 1.6324 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 2.1877 -0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 2.8664 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 -2.6506 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2826 -1.9596 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 1.2956 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 1.2730 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 1.1491 0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1268 0.2757 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 2.7170 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 -2.5573 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2406 -0.0477 -0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0884 2.7453 -0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 3.9525 -0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0747 -3.7367 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2092 -2.5077 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -3.0872 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7843 -3.0968 1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 9 18 2 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 17 23 1 0 0 0 0 17 30 1 0 0 0 0 19 24 1 0 0 0 0 19 31 1 0 0 0 0 20 25 1 0 0 0 0 20 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 2 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 M END > 17587211 > 0.8 > 1 28 51 9 140 8 78 36 123 24 63 7 33 148 31 133 92 81 27 110 30 3 158 91 173 2 147 127 180 43 13 131 118 126 178 113 53 76 112 87 136 82 16 60 40 108 99 183 17 74 49 77 22 93 174 96 56 106 25 70 80 29 121 191 72 42 67 6 167 120 142 145 168 34 135 15 194 154 61 37 71 149 23 170 94 12 175 124 50 55 146 141 4 46 5 171 181 98 182 189 38 58 64 88 115 111 73 101 109 187 102 104 47 35 185 57 177 179 85 161 86 90 132 156 75 52 122 18 48 105 195 100 44 186 89 159 157 163 69 39 188 41 184 166 65 139 45 119 21 137 62 172 190 193 176 144 134 153 20 26 160 114 117 129 165 116 103 68 150 162 10 95 164 83 66 192 143 128 59 130 151 169 97 84 138 11 152 14 79 19 125 107 54 32 155 > 36 1 1.38 10 -0.55 11 -0.14 12 0.08 13 0.12 14 -0.14 15 0.34 16 -0.15 17 -0.15 18 0.57 19 -0.15 2 -0.34 20 -0.15 21 1.16 22 -0.15 23 -0.15 24 -0.15 25 -0.15 28 0.37 29 0.15 3 -0.34 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.5 38 0.5 4 -0.34 5 -0.36 6 -0.77 7 -0.77 8 -0.7 9 -0.57 > 7 > 9 1 10 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 6 7 8 anion 6 11 12 16 17 22 23 rings 6 13 14 19 20 24 25 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 010C5C0B00000001 > 30.1393 > 45.727 > 10595046 47 18338516459838287772 11405975 8 18410573955144806651 11719270 70 18342173415240246642 12107183 9 18050003298750154401 12730499 353 18264777734603131450 13073987 5 18409729577411809586 13167823 11 18411697703231192870 13668630 136 16773246200477972054 13944108 23 16603488936918333309 14341114 176 18409452509577875081 14347332 77 18342731957998260943 14528608 73 18337673130478250686 14573314 32 18409730685502757453 15183329 4 18410576184512388272 15196674 1 18410855460128161803 15250474 111 18338784697779481635 15961568 22 17895755235231608740 16989378 47 16915128165344026284 17349148 13 15770061639623549294 17492 89 18412545443860551950 17844677 252 18410580586584795883 18681886 176 18273212002775254850 20645477 70 18412546522593136286 21315763 129 18409727357288406622 221357 26 18270961370564822641 2297311 6 18270405026698071483 23559900 14 18200590294183084562 239999 70 18413110567916640750 3004659 81 18409730634723071362 4073 2 18114467871993491274 4214541 1 18411699872547918809 497634 4 18410011061717277509 5104073 3 18409729560263570067 5281201 14 18410294718083550764 5283173 99 18410292493142752849 543358 83 18409168775601471250 633830 44 18259979375106261842 77779 3 18410855481661027099 90127 26 18187653496014959969 9709674 26 18336550520342712370 9841814 1 15984818268563314674 > 462.19 15.21 3.31 0.85 2.01 0.11 -0.05 0.72 2.66 -0.81 0.24 -0.3 -0.05 -0.16 > 972.651 > 262.2 > 2 5 10 $$$$