1567 -OEChem-03292407273D 10 9 0 0 0 0 0 0 0999 V2000 -1.6964 0.5628 0.1185 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 0.7130 -0.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 -0.7676 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -0.5082 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -1.7178 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4438 -0.8123 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 -1.3167 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 -0.4521 1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 1.5559 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2497 0.8302 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > 1567 > 0.4 > 2 3 1 > 6 1 -0.41 10 0.4 2 -0.68 3 0.23 4 0.28 9 0.18 > 1 > 2 1 2 acceptor 1 2 donor > 4 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000061F00000002 > 1.5628 > 10.148 > 139733 1 10446198854399701818 20096714 4 18410856559703210033 21015797 1 9366529034938619654 5943 1 15683121365424727715 > 80.3 2.07 1.01 0.67 0.5 0.01 0.02 -0.54 0.08 -0.06 -0.05 0.04 0.03 -0.12 > 122.636 > 59.4 > 2 5 10 $$$$