NCI:72989 BBtclserve11129917132D 0 0.00000 0.00000 58717 7354-88-3 21 22 0 0 0 0 0 0 0 0 2 V2000 3.2688 -0.2852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 -0.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 -0.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 1.3026 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 2.2536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 3.0627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 -3.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 -4.2852 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -4.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 -4.7852 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 10 11 2 0 0 0 0 13 15 1 0 0 0 0 M CHG 2 17 1 21 -1 M END