NCI:53269 BBtclserve11129917042D 0 0.00000 0.00000 45048 52926-52-0 21 21 0 0 0 0 0 0 0 0 2 V2000 3.7634 1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 2.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 3.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 2.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 3.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 3.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 4.8690 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8080 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -1.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 5.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 5.3691 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2202 -3.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6269 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 -5.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 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 8 13 2 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 9 10 2 0 0 0 0 M CHG 2 14 1 18 -1 M END