NCI:400332 BBtclserve11129919222D 0 0.00000 0.00000190893 7402-90-6 45 48 0 0 0 0 0 0 0 0 2 V2000 16.7224 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.3205 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3205 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.5263 -1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 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 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 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 5 10 1 0 0 0 0 6 11 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 37 40 2 0 0 0 0 37 41 1 0 0 0 0 38 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 11 16 1 0 0 0 0 18 20 1 0 0 0 0 28 29 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 8 9 1 15 -1 19 1 22 -1 37 1 41 -1 43 1 45 -1 M END