B1ERA8 -OEChem-04012115392D 31 33 0 0 0 0 0 0 0999 V2000 4.6587 0.2184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 -3.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 4.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -4.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 4.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 0.2184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 1.1695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -1.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 -1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 -2.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 3.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 -2.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 3.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 -1.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 2.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8707 -1.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 1.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8707 -3.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 -3.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 4.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 -4.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 16 1 0 0 0 0 2 28 1 0 0 0 0 3 17 1 0 0 0 0 3 29 1 0 0 0 0 4 20 1 0 0 0 0 4 30 1 0 0 0 0 5 21 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 14 24 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 M END $$$$