76382 -OEChem-03282422133D 26 26 0 0 0 0 0 0 0999 V2000 -0.0001 1.9887 1.0716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2856 0.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0637 0.0079 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 0.0079 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.5500 0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.0032 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 0.9712 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -0.6040 0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 -0.6040 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5338 0.9711 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 0.0419 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.1776 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4803 1.4444 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 0.4539 -2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 1.8133 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 -1.2958 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 -1.1624 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 0.1668 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 0.1727 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -1.2010 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 -1.2608 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 1.9601 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 1.0857 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 0.6052 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8116 2.1641 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -2.7629 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 26 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END > 76382 > 0.4 > 1 > 6 1 -0.66 2 -0.66 25 0.4 26 0.4 5 0.26 6 0.26 > 0.8 > 7 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 3 3 7 8 hydrophobe 3 4 9 10 hydrophobe 4 3 4 5 6 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00012A5E00000001 > 30.8893 > 35.52 > 12423570 1 15020525254505831524 13024252 1 13841398260683186114 137420 1 9128491553668213743 16945 1 17821446863191190923 21040471 1 18339929336580332367 241688 4 16822766743814477033 29004967 10 18202847638588195083 369184 2 17917413312137587658 5084963 1 18186238433008038672 68250623 7 17095246895123925916 > 194.06 2.42 1.72 1.17 0 0.3 0 0.19 -0.05 0 -0.03 0 -0.45 0 > 388.268 > 115.9 > 2 5 10 $$$$