BXEO45 -OEChem-04022104353D 19 20 0 0 0 0 0 0 0999 V2000 -2.3644 1.6262 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -1.1599 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 -1.4239 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -0.5224 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 0.7924 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7025 -0.8125 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 0.7255 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 1.8752 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 -0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 0.2684 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1195 1.5981 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2134 -2.2101 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -2.4306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 2.8949 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 0.0985 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8341 2.4171 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 -2.7418 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3081 -2.2429 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 -2.7434 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$