887 -OEChem-09032120103D 6 5 0 0 0 0 0 0 0999 V2000 0.7079 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0732 -0.7690 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 -0.1947 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 0.9786 0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 -0.8804 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > 887 > 0.4 > 1 > 3 1 -0.68 2 0.28 6 0.4 > 0 > 2 1 1 acceptor 1 1 donor > 2 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000037700000001 > 0.6658 > 10.148 > 21015797 1 18050288360093082877 260 1 18410856563992779143 > 35.29 1.05 0.56 0.56 0.01 0 0 0 0 0.04 0 0.04 0 0 > 47.013 > 28.6 > 2 5 10 $$$$