NCI:636479 BBtclserve11129919552D 0 0.00000 0.00000219892 999-99-9 33 34 0 0 0 0 0 0 0 0 3 V2000 2.8660 2.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 -3.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 3 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 8.0622 0.2500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -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 6.3301 0.2500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 6.8525 -0.1891 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.5398 -0.1891 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 1 15 1 0 0 0 0 11 16 1 0 0 0 0 10 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 4 24 1 0 0 0 0 24 25 2 0 0 0 0 18 26 1 0 0 0 0 22 27 1 0 0 0 0 21 28 2 0 0 0 0 8 29 1 0 0 0 0 7 32 1 0 0 0 0 21 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 17 29 1 0 0 0 0 19 29 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 8 1 1 2 -1 4 1 6 -1 8 1 9 -1 17 1 19 1 M CHG 4 20 -1 28 1 30 -1 31 -1 M END