NCI:53280 BBtclserve11129917042D 0 0.00000 0.00000 45059 50-94-2 16 17 0 0 0 0 0 0 0 0 2 V2000 2.3502 -0.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -2.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -2.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.7172 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4013 3.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 7 10 1 0 0 0 0 12 13 2 0 0 0 0 M CHG 2 14 1 16 -1 M END