DR4455 -OEChem-08132116272D 31 32 0 1 0 0 0 0 0999 V2000 5.0298 -1.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -3.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -3.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 2.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.0756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.6145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 3.3370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -1.5122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7208 -2.4632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 -0.9244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -2.4632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -3.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 2.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -0.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -0.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -3.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -3.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -3.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 0.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 -3.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4416 0.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 3.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 3.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 10 2 1 1 0 0 0 2 25 1 0 0 0 0 11 3 1 1 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 18 2 0 0 0 0 12 7 1 6 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 6 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$