DR2188 -OEChem-05042004162D 51 54 0 1 0 0 0 0 0999 V2000 5.1350 -2.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 0.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 0.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 1.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7782 5.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.2819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -4.2819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.2819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.2819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7671 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8948 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7628 1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6269 1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7666 2.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9026 3.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6346 3.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9064 4.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6384 4.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 4.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3064 -1.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 -1.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1650 1.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 2.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1703 2.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 4.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1766 4.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3163 6.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 15 2 1 1 0 0 0 2 17 1 0 0 0 0 11 3 1 1 0 0 0 3 39 1 0 0 0 0 12 4 1 6 0 0 0 4 40 1 0 0 0 0 13 5 1 6 0 0 0 5 41 1 0 0 0 0 6 16 1 0 0 0 0 6 42 1 0 0 0 0 7 20 1 0 0 0 0 7 25 1 0 0 0 0 8 22 1 0 0 0 0 8 46 1 0 0 0 0 9 23 2 0 0 0 0 10 31 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 1 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$