BIMP28 -OEChem-04042102283D 17 17 0 0 0 0 0 0 0999 V2000 3.4645 0.0339 0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -1.1187 0.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 1.1743 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6857 -0.0276 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 1.1906 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 -1.2251 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 0.0139 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 1.2113 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -1.2043 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -0.0484 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 2.1572 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 -2.1867 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 2.1665 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 -2.1402 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 2.0879 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8203 1.1868 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 0.9587 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$