BDAT14 -OEChem-04022114123D 53 56 0 0 0 0 0 0 0999 V2000 2.5864 -3.8497 5.9891 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 -3.2344 -6.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0912 0.1512 4.7141 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 2.8519 1.0801 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 2.1953 3.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 -0.9671 2.8956 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 0.5592 1.0364 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 -2.5433 0.3622 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 -0.9283 5.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4921 0.0941 3.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 -1.9065 5.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 1.3714 2.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 1.5871 1.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3165 3.1296 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 1.4330 4.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 2.8388 -1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 -2.9886 6.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 1.4121 -3.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 1.6806 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 3.7287 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 0.2108 -3.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 -0.6365 1.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 2.3018 -3.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 3.4600 -2.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9808 0.1988 -5.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -0.9354 -3.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 -0.9591 -5.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2003 -2.0933 -4.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2943 -2.1051 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -1.6871 0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 -4.3701 -5.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -0.4827 6.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 -1.4513 5.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -2.3801 4.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -1.3589 5.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 4.1928 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 2.5919 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 1.7525 5.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 3.5893 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -2.5477 7.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 -3.5826 6.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 1.0246 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 4.6336 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4262 2.1197 -3.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 4.1495 -2.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 1.0755 -5.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4744 -0.9825 -2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6826 -4.5285 6.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -0.9609 -6.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6642 -2.9497 -3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 -4.7240 -4.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4642 -4.1750 -5.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4069 -5.1764 -6.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 48 1 0 0 0 0 2 29 1 0 0 0 0 2 31 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 39 1 0 0 0 0 5 12 1 0 0 0 0 5 15 2 0 0 0 0 6 10 2 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 22 2 0 0 0 0 8 30 3 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$