B8NHO4 -OEChem-04012114582D 21 20 0 0 0 0 0 0 0999 V2000 6.0010 2.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4641 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 13 2 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$