D00013 -OEChem-05072121433D 27 28 0 0 0 0 0 0 0999 V2000 -2.4641 0.0296 -0.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 1.0019 0.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6589 0.0593 1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 0.9500 -0.6713 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 2.2424 0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6329 -1.2357 -0.5021 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 -1.0433 0.3623 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 -3.1485 -0.1899 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 0.1088 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 0.5894 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6358 0.9298 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 2.2226 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8832 0.3504 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 -0.3384 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7644 -1.7933 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -0.9251 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -0.1385 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 1.4907 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 3.0907 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -1.0764 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 0.5553 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -1.5553 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 -1.2341 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -1.7824 1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2357 -3.7702 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 -3.5688 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1573 -0.3468 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 27 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 8 15 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 12 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END $$$$