NCI:638306 BBtclserve11129919562D 0 0.00000 0.00000221008 999-99-9 36 42 0 0 0 0 0 0 0 0 2 V2000 5.2623 0.9523 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2842 0.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 1.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0713 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -2.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 -0.2232 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0713 -0.6354 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.0714 -2.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 -1.1743 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.5713 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -1.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 -0.2232 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.0713 0.3646 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 7.8314 0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 -3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 0.9523 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8585 0.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5276 1.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2186 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0713 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -2.5833 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 1 20 1 0 0 0 0 10 21 1 0 0 0 0 15 22 1 0 0 0 0 6 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 5 30 1 0 0 0 0 18 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 31 36 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 19 20 1 0 0 0 0 13 20 1 0 0 0 0 13 21 2 0 0 0 0 23 24 2 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 31 32 2 0 0 0 0 35 36 2 0 0 0 0 M CHG 7 1 1 13 1 14 1 16 -1 19 1 20 2 24 1 M END