5460049 -OEChem-10191923443D 20 19 0 1 0 0 0 0 0999 V2000 -0.9812 -1.1843 -0.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1789 1.4390 -0.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6922 -1.5710 0.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -0.2381 -0.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -0.5066 -0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 1.5864 -0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -0.3297 0.3957 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4196 0.5076 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 0.5562 0.4721 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6596 -0.3500 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 -0.2839 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 0.3742 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 -0.9740 1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 1.1205 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 1.1601 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0749 1.1678 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -0.9568 1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -1.8494 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 0.9053 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8422 -0.0677 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 11 2 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 M END > 5460049 > 0.6 > 5 20 30 6 25 35 28 29 33 36 17 32 12 37 22 39 16 27 4 34 3 40 24 23 19 18 10 21 14 31 13 41 38 9 7 8 1 11 2 26 15 > 16 1 -0.68 10 0.51 11 0.45 12 0.72 17 0.06 18 0.4 19 0.4 2 -0.68 20 0.5 3 -0.57 4 -0.57 5 -0.65 6 -0.57 7 0.28 8 0.06 9 0.34 > 5 > 9 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 3 5 6 12 anion > 12 > 2 > 0 > 0 > 0 > 0 > 1 > 32 > 0053505100000005 > 13.9834 > 45.758 > 11062470 55 11386367049602142923 12932764 1 14404896938888780267 13380535 76 18411983572117832890 14325111 11 18412265004234028225 14993402 34 18202282519950517885 15310529 11 18408881806934262427 15775835 57 18270967959007594900 170605 34 18334859428656914122 17802600 8 18408599262521549832 190213 19 17561367270386783089 200 152 18273490170120322909 20201158 50 18334580130912092027 20528008 55 18186519929744493987 20645477 70 18338231545047044839 21028194 46 18335424564669444224 21293036 1 17917712413390971233 23235685 24 17132115732011671839 23402539 116 17894622682198221535 23402655 69 18341610395607473749 57812782 119 18259985963649072473 > 211.74 6.9 1.27 0.71 0.57 0.09 -0.01 0.31 0.23 -0.45 0.14 0.27 0 0.06 > 413.945 > 125.1 > 2 5 10 $$$$