B5W0AP -OEChem-04022106503D 22 22 0 0 0 0 0 0 0999 V2000 -2.2992 1.7391 -0.8301 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7353 0.1559 0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.9335 -0.3154 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 -0.1029 0.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 -0.6866 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 -1.8409 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4828 0.5391 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 1.5783 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 -2.6748 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 0.1006 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 1.3631 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 0.7627 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -1.5132 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 -2.4868 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 2.5591 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 -3.0966 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8367 -3.5063 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 -2.0892 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 2.1690 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 0.6901 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -1.0252 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 1.8825 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$