NCI:169772 BBtclserve11129918042D 0 0.00000 0.00000125249 58429-41-7 43 51 0 0 0 0 0 0 0 0 2 V2000 4.5925 1.3207 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5925 0.3207 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.5925 1.3207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5776 1.4927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5925 2.3207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4586 -0.1793 0.0000 Ca 0 0 0 0 0 0 0 0 0 0 0 0 2.7265 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7265 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3448 2.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0925 3.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0925 3.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 0.3207 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.4586 -1.1793 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.2265 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6884 3.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 3.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2637 -0.0229 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6914 -1.8207 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 -0.3666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.9620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6073 0.9162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -2.6868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -1.0536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -2.4621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1879 -0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8442 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0919 -1.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1529 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3745 1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0574 -3.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -3.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1108 -0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9391 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 -3.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9550 0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 -2.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3596 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 -3.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1257 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 9 16 1 0 0 0 0 11 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 28 39 1 0 0 0 0 30 40 1 0 0 0 0 32 41 1 0 0 0 0 34 42 1 0 0 0 0 36 43 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 3 2 1 13 1 14 1 M END