B3DY2A -OEChem-04022104153D 26 27 0 0 0 0 0 0 0999 V2000 4.7800 -0.2063 -0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 0.7058 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2726 -1.7859 0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0047 1.8660 0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 -0.9211 1.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8423 -0.9264 -1.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 -0.7934 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0752 0.5688 -0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 -1.5397 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 1.5452 -0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2531 1.6776 -0.0028 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -0.0731 -0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 0.9622 -0.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 0.3163 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 -0.1685 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6328 -0.7461 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 -1.8866 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 0.6101 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5074 0.7950 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7993 -2.9016 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7693 1.3722 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0733 -0.1402 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7689 1.3697 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 -1.0824 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9602 0.6441 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0871 1.5836 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 9 15 1 0 0 0 0 9 17 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 18 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 M END $$$$