NCI:637629 BBtclserve11129919562D 0 0.00000 0.00000220600 999-99-9 55 58 0 0 0 0 0 0 0 0 2 V2000 14.6539 -1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 -2.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6539 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5199 -2.0547 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.5199 -3.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3860 -1.5547 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.7879 -0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 0.9453 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.6539 1.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 1.4454 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.0559 -0.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1898 -0.5546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3238 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3238 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8626 -2.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2673 -3.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3282 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 -4.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 -5.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6721 -5.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4393 -4.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5187 -0.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5503 0.1432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5661 0.3203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 -1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 0.6745 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6135 0.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 1.4383 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9842 -2.7347 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 -3.6756 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4867 2.4346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1637 3.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 4.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4705 5.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 5.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8408 4.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 3.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0345 -3.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5025 2.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 -1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5688 -1.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8254 1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8096 1.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1799 0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 3 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 19 24 2 0 0 0 0 17 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 33 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 43 48 2 0 0 0 0 18 49 1 0 0 0 0 42 50 1 0 0 0 0 17 51 1 0 0 0 0 51 52 2 0 0 0 0 42 53 1 0 0 0 0 53 54 2 0 0 0 0 25 55 1 0 0 0 0 8 9 2 0 0 0 0 23 24 1 0 0 0 0 34 35 1 0 0 0 0 47 48 1 0 0 0 0 19 49 1 0 0 0 0 43 50 1 0 0 0 0 18 51 1 0 0 0 0 26 55 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 8 5 1 7 -1 10 1 12 -1 36 1 38 -1 39 1 41 -1 M END