NCI:313399 BBtclserve11129919002D 0 0.00000 0.00000171530 40361-80-6 13 13 0 0 0 0 0 0 0 0 2 V2000 4.0823 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 1.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 1.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 2.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 -0.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 -1.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -1.9672 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4013 -2.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8626 0.0000 O 0 5 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 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 9 10 2 0 0 0 0 M CHG 2 11 1 13 -1 M END