3413884 -OEChem-03282422243D 5 4 0 0 0 0 0 0 0999 V2000 0.0000 0.0001 -0.1413 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.0009 1.4557 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 0.8699 -0.4377 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3193 0.5458 -0.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 -1.4150 -0.4389 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 M CHG 1 3 -1 M END > 3413884 > 0.4 > 1 > 5 1 1.65 2 -0.2 3 -0.82 4 -0.82 5 -0.82 > 0 > 4 1 3 acceptor 1 4 acceptor 1 5 acceptor 4 1 3 4 5 anion > 5 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0034177C00000001 > 3.4704 > 20.364 > 139733 1 9329203784861560645 21015797 1 8633639453359904343 5943 1 13047657779601342479 > 81.87 1.1 1.1 1 0.17 0.35 0.47 -0.35 -0.23 -0.17 -0.23 0 0 0 > 140.477 > 55.1 > 2 5 10 $$$$