BD27MZ -OEChem-04022102322D 50 52 0 0 0 0 0 0 0999 V2000 13.1090 -1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6090 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 2.1830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5109 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.6830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4782 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9750 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 0.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 0.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -1.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -1.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 0.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 0.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -0.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -1.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -1.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9739 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6650 -2.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5119 -2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2850 -1.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 19 1 0 0 0 0 1 28 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 17 41 1 0 0 0 0 18 23 2 0 0 0 0 18 42 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$