B51ESM -OEChem-04022101572D 25 25 0 1 0 0 0 0 0999 V2000 5.2534 -2.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6843 -3.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 1.7944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9444 -1.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -3.2941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -0.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.6899 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9444 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -2.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 -0.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 0.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 1.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 0.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 -0.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 -1.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 2.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -3.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 3.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 13 1 0 0 0 0 2 25 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 12 2 0 0 0 0 7 14 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 M END $$$$