NCI:401947 BBtclserve11129919232D 0 0.00000 0.00000192448 7472-88-0 29 31 0 0 0 0 0 0 0 0 2 V2000 5.0916 1.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 2.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 1.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 3.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 2.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 0.7206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 3.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9179 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 3.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -0.2102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8188 2.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0673 4.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6384 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8935 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 -1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2842 -2.0720 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8966 -2.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 -1.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 -3.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -1.2902 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8854 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5089 -3.3375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4977 -3.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -4.2684 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 15 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 13 14 1 0 0 0 0 16 18 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 4 21 1 25 -1 27 1 29 -1 M END