51 -OEChem-03112021433D 16 15 0 0 0 0 0 0 0999 V2000 3.7402 -0.6979 0.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2693 -1.6692 -0.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 1.3637 -0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5037 -0.3863 0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3867 1.6090 0.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1517 0.3062 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3699 -0.6143 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 -0.4522 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 0.1465 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 0.3946 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 0.9525 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 0.9439 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 -1.2357 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -1.2740 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -0.2119 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3343 0.1353 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 10 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 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 M END > 51 > 0.6 > 1 9 18 13 7 16 19 3 15 11 10 6 17 8 14 12 5 4 2 > 12 1 -0.65 10 0.72 15 0.5 16 0.5 2 -0.57 3 -0.57 4 -0.65 5 -0.57 6 0.06 7 0.06 8 0.51 9 0.66 > 4 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 1 3 9 anion 3 4 5 10 anion > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0000003300000001 > 10.0469 > 35.65 > 11062470 55 12031785863932512347 12162725 195 18412263934665995044 12932764 1 17632010957122701742 14144814 61 18408321060288430098 14325111 11 18410856546760181925 14390081 3 18412261744116584088 19973954 147 18337955713472426368 20645464 45 18343308037175978879 20871998 184 18128543845669867871 21028194 46 18344146977306136704 23402539 116 18272358764054883685 3248919 1 18262789778693180934 > 176.45 5.91 1.32 0.57 1.69 0.11 0 0.46 0.1 -0.28 0 0.01 0 -0.03 > 341.128 > 105.7 > 2 5 10 $$$$