B57NMR -OEChem-04012115582D 23 24 0 0 0 0 0 0 0999 V2000 5.4645 0.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1685 -2.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 0.9407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 -2.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.7007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 -0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 -1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1674 -0.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 -2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 -0.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5688 2.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 -3.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -0.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 3.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 15 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 8 1 0 0 0 0 4 13 2 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 M END $$$$