NCI:25826 BBtclserve11129916512D 0 0.00000 0.00000 23322 5465-68-9 21 21 0 0 0 0 0 0 0 0 2 V2000 4.9368 1.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2914 1.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2598 2.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5665 0.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 2.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3072 1.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 2.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1616 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5827 3.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1616 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8384 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3384 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 14 18 1 0 0 0 0 M CHG 4 12 1 17 -1 19 1 21 -1 M END