EXO1831 -OEChem-04222009563D 21 21 0 0 0 0 0 0 0999 V2000 -2.6824 -2.4714 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 3.4901 -0.0009 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2302 -2.8462 0.0005 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3824 3.3223 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 -1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 2.8000 -0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3488 -1.5971 0.0002 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2317 -0.6097 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 1.3841 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -0.7947 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 -1.3975 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 0.7810 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 0.5962 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 -1.2383 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 -0.3838 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -2.4808 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 1.4003 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 1.0662 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 0.2319 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8395 0.2318 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6779 -1.0366 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 M CHG 4 2 -1 3 -1 6 1 7 1 M END $$$$