NCI:111886 BBtclserve11129917302D 0 0.00000 0.00000 85591 6464-80-8 44 46 0 0 0 0 0 0 0 0 1 V2000 7.1961 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0621 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -2.5933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -3.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -4.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1347 -1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 -0.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3426 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2936 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5016 0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0368 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4526 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9878 -0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 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 9 15 2 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 31 35 1 0 0 0 0 32 36 2 0 0 0 0 33 37 1 0 0 0 0 35 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 11 12 1 0 0 0 0 23 27 1 0 0 0 0 36 38 1 0 0 0 0 M END