B4CDG1 -OEChem-04012112062D 31 33 0 0 0 0 0 0 0999 V2000 4.6660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 -1.7946 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7894 -1.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9962 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -1.2846 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9962 -1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 20 1 0 0 0 0 17 26 1 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 19 22 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 23 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 M CHG 4 3 -1 5 -1 7 1 8 1 M END $$$$