25240424 -OEChem-03282407073D 9 8 0 1 0 0 0 0 0999 V2000 -1.8877 0.0894 0.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -0.7196 0.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 1.3018 -0.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -0.7524 -0.0119 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4994 0.0808 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7704 -1.3889 0.8771 H 2 0 0 0 0 0 0 0 0 0 0 0 -0.7781 -1.3562 -0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6717 -0.4858 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -0.2006 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 M ISO 1 6 3 M END > 25240424 > 0.4 > 1 2 > 7 1 -0.68 2 -0.65 3 -0.57 4 0.34 5 0.66 8 0.4 9 0.5 > 1 > 5 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 3 2 3 5 anion > 5 > 1 > 0 > 0 > 0 > 1 > 1 > 1 > 0181236800000001 > 1.2122 > 25.434 > 139733 1 9295278448170615010 20096714 4 18267589189692406761 21015797 1 8932519883885210038 5460574 1 9223230749689896771 5943 1 15870518274829886904 > 85.29 1.86 1.07 0.55 0.49 0.2 0 -0.2 -0.01 -0.24 0 0.01 -0.02 0 > 151.962 > 55.5 > 2 5 10 $$$$