BE5KI8 -OEChem-04022102432D 39 41 0 0 0 0 0 0 0999 V2000 2.5836 1.3782 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0517 4.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 2.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.4265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -3.4265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 3.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -4.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -2.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 -2.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4739 -1.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 -2.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 -3.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 -1.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -0.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 2.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 1.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 -4.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -5.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -4.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3039 -3.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -2.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 -2.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 4.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 22 1 0 0 0 0 2 39 1 0 0 0 0 3 22 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$