B90XAK -OEChem-04022109082D 57 61 0 1 0 0 0 0 0999 V2000 10.7957 -0.4594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.0279 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4362 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7462 -0.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8452 -0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.2959 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4851 0.4911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 1.2959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.2959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1064 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5878 0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0580 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5878 2.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.4299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5388 1.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1092 -3.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0597 -2.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.2959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4851 2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 1.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 -0.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -0.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 0.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0508 0.1769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 -0.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0585 -1.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0600 -2.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6747 -1.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1858 -1.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 2.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0508 2.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5728 -3.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3623 -3.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1897 -3.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6762 -2.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 2.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 2.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 1.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6777 2.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -0.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 11 7 1 6 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 25 2 0 0 0 0 19 10 1 6 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 21 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 22 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 20 2 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 1 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END $$$$