NCI:54795 BBtclserve11129917072D 0 0.00000 0.00000 46155 5001-45-6 32 34 0 0 0 0 0 0 0 0 2 V2000 5.0011 -2.2013 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9331 -3.1990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1711 -1.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8991 -1.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7946 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 -2.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 -0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6217 -1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5171 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5352 -1.9871 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6254 1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 -1.1772 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3383 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8823 1.5810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6397 -2.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3442 -1.3993 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6473 1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 -1.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -2.1030 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8769 1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 2.0503 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4646 2.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 3.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8424 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4592 2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0579 3.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0470 2.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8659 1.2674 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 2 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 18 24 1 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 10 12 1 0 0 0 0 9 13 1 0 0 0 0 17 21 1 0 0 0 0 M CHG 8 1 1 2 -1 14 1 16 1 20 -1 23 -1 25 1 28 -1 M END