NCI:56920 BBtclserve11129917072D 0 0.00000 0.00000 47754 4485-81-8 31 33 0 0 0 0 0 0 0 0 2 V2000 4.5981 0.2773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1026 1.1407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0886 1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 1.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8138 2.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2709 2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7227 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7227 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 3.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 0.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2135 2.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1904 3.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9739 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7227 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5529 4.2227 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9165 2.3088 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2227 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 22 2 0 0 0 0 14 23 2 0 0 0 0 14 24 1 0 0 0 0 16 25 2 0 0 0 0 18 26 2 0 0 0 0 22 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 15 22 1 0 0 0 0 17 25 1 0 0 0 0 19 26 1 0 0 0 0 M CHG 6 12 1 14 1 21 -1 24 -1 27 1 31 -1 M END