BNU51E -OEChem-04022105232D 54 56 0 1 0 0 0 0 0999 V2000 2.5369 2.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 2.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 0.6955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 2.5002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 3.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 3.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3221 3.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 0.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1826 3.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 3.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 3.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -0.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8829 1.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0963 2.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 3.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8406 4.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 4.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 4.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 3.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 47 1 0 0 0 0 9 2 1 6 0 0 0 2 14 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 13 2 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 19 2 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 23 1 0 0 0 0 8 26 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 15 18 2 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$