BA9D7M -OEChem-04022103252D 62 65 0 1 0 0 0 0 0999 V2000 11.5269 -0.1349 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 -4.5960 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8644 0.5066 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2712 0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7826 -0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2413 -3.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1983 -3.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1948 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5305 -2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8841 -1.8298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9056 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 -2.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6487 -3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6487 -4.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5520 -2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1786 -3.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 -2.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8591 0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 3.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 -4.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 2.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -4.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 1.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4593 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2035 2.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2185 3.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8555 1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4815 1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5037 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 -1.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8851 -1.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2918 -1.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8015 -0.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7986 -3.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 -2.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 3.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 4.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 2.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 2.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 -5.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 3.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2847 3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 -2.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 -4.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7231 -1.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6355 1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1398 2.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0502 3.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 1.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 4.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 5.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 4.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 3.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 0.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0057 -3.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 3 27 1 0 0 0 0 6 15 2 0 0 0 0 7 9 1 0 0 0 0 7 62 1 0 0 0 0 10 8 1 1 0 0 0 8 40 1 0 0 0 0 9 15 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 20 2 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 18 26 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 50 1 0 0 0 0 23 31 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 35 1 0 0 0 0 28 54 1 0 0 0 0 29 33 1 0 0 0 0 29 55 1 0 0 0 0 30 34 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 3 0 0 0 0 M END $$$$