NCI:686557 BBtclserve11129920222D 0 0.00000 0.00000243214 999-99-9 37 40 0 0 0 0 0 0 0 0 2 V2000 4.5981 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1036 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3115 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0057 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7978 2.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8467 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 0.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1091 2.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2609 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2609 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7242 -2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 -2.7071 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9567 1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1647 0.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6509 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3941 2.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6999 1.7800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3451 1.8311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5531 0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5041 0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2473 1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0393 2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0883 2.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2473 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4455 0.5598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 12 2 0 0 0 0 5 13 1 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 16 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 3 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 10 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 25 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 30 35 1 0 0 0 0 8 37 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 17 18 1 0 0 0 0 27 29 1 0 0 0 0 34 35 1 0 0 0 0 17 37 1 0 0 0 0 M CHG 2 20 1 22 -1 M END