B3LUR8 -OEChem-04042102273D 20 21 0 0 0 0 0 0 0999 V2000 2.2413 -0.9204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 1.2394 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2909 1.7134 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 -0.4177 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 -0.1831 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 0.0713 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5809 -1.4954 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 0.6360 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -1.7420 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 -0.6762 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 0.8921 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 1.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 -2.3574 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 -2.7635 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9211 -0.8815 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -1.9271 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0296 1.6165 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9491 2.6651 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 1.5349 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 6 2 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 M END $$$$