BA25LK -OEChem-04022112383D 27 27 0 1 0 0 0 0 0999 V2000 -2.1408 -1.7044 0.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 2.5188 -1.0121 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6047 2.4196 1.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2383 -0.0868 0.9080 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7220 0.1654 0.0667 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 0.4952 0.1360 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9479 -0.4933 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 0.8570 -1.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 -0.4128 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 0.3841 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 -1.8012 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9752 -0.2075 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -2.3930 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0924 -1.5960 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6182 1.8548 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8097 1.3963 0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -0.3294 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 -0.9444 0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0221 0.5753 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 -0.0311 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 1.3238 -1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 1.5612 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.1813 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.4905 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 0.4030 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 -3.4741 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -2.0568 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$