B57NMR -OEChem-04022103343D 23 24 0 0 0 0 0 0 0999 V2000 0.5022 -1.6041 0.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6899 -0.7358 -0.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 -1.2034 0.0106 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 1.0349 -0.0183 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 0.0196 -1.1892 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 -0.1265 -0.0167 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 0.8046 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 0.5945 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4253 1.3497 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.8862 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 0.5381 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 0.5213 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5475 -0.0502 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 0.0156 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -0.2721 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 2.4333 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 0.7121 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1445 0.7326 2.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 -2.1428 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 -0.1561 -2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -0.1934 2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 0.7092 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 -1.0207 -0.0085 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 $$$$