6793029 -OEChem-03282411293D 26 26 0 0 0 0 0 0 0999 V2000 3.1232 -1.9674 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -0.4140 -0.1694 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 0.3210 -0.4681 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 1.6011 -0.0646 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 0.6844 0.1626 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -0.4480 -0.3685 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0716 -2.6215 0.3925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.2395 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -0.3207 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 1.8057 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -0.7727 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3808 0.4451 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 3.1503 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 -1.7027 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 1.1636 0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1693 0.1025 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4379 -1.4650 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 -1.2967 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3891 1.3723 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3215 -0.0851 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 0.7117 -1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 3.1885 1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3181 3.9272 0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 3.3288 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -3.6107 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1446 -2.3590 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 3 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END > 6793029 > 0.6 > 2 8 17 13 14 18 10 15 19 9 7 12 4 5 16 3 6 1 11 > 17 1 -0.57 10 0.6 11 0.27 12 0.27 13 0.06 14 0.63 15 0.36 2 -0.54 25 0.37 26 0.37 3 -0.31 4 -0.66 5 -0.66 6 -0.5 7 -0.8 8 0.66 9 0.45 > 3 > 6 1 1 acceptor 1 5 acceptor 1 7 donor 3 4 5 10 cation 3 4 6 8 cation 5 4 5 8 9 10 rings > 14 > 0 > 0 > 0 > 1 > 0 > 1 > 9 > 0067A74500000002 > 35.9082 > 30.859 > 1 1 18267019642854004260 10465860 228 18341617044222298065 10608611 8 18334288791002391141 11471102 20 18410569574415269157 12346645 6 18342734143535091604 14251717 144 18411411821807836783 14252887 29 18059013869860742542 14648413 74 18335416876778464529 15442244 35 18197781007719951473 16945 1 18340764931258261316 19049666 15 18115298978414582829 201361 129 18271257121860032937 20201158 50 18260831441020713579 20279233 1 18113616811560244307 20645477 70 18341607114563657303 20671657 53 18270121184498314927 20708731 107 18334303084257640684 20715346 28 18041281066876549555 20871998 22 18128256671223881206 21524375 3 17769654539890393636 2255824 54 18341894108014095918 22943178 12 18186519938761650891 23530152 11 18122626321233084038 2748010 2 18124861383738655796 3071541 250 18340780234542988500 33824 294 18264204888908052811 458136 41 18048619275735885048 6049 1 18041006146041207069 7364860 26 18341610434188274276 81228 2 17547843058659565736 81539 233 18263076781018813460 > 252.36 5.97 2.82 0.78 7.58 0.46 -0.15 -0.09 0.07 -3.62 -0.29 0.48 -0.07 0.66 > 512.679 > 150.1 > 2 5 10 $$$$