NCI:668308 BBtclserve11129920112D 0 0.00000 0.00000234551 999-99-9 40 48 0 0 0 0 0 0 0 0 3 V2000 6.5685 0.1830 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 5.7024 0.6830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7024 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5685 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5685 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7024 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 0.6830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4345 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3005 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 0.0139 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.7764 -0.7951 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 8.2709 -1.7657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 -2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 -3.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 -1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 -2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 -0.1830 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 6.0685 -0.6830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0685 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0685 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9345 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9345 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 -0.6830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3364 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4704 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5933 -0.0139 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.9945 0.7951 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 3.5000 1.7657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 -0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 -3.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 1 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 1 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 19 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 19 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 30 37 1 0 0 0 0 12 38 1 0 0 0 0 16 39 1 0 0 0 0 34 40 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 19 20 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 32 37 1 0 0 0 0 31 37 2 0 0 0 0 14 38 1 0 0 0 0 13 38 2 0 0 0 0 18 39 1 0 0 0 0 36 40 1 0 0 0 0 M CHG 8 1 2 2 -1 9 1 12 -1 13 1 19 2 20 -1 27 1 M CHG 2 30 -1 31 1 M END