NCI:647130 BBtclserve11129920022D 0 0.00000 0.00000225252 999-99-9 37 38 0 0 0 0 0 0 0 0 2 V2000 4.5981 -1.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 -0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 -1.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5171 -2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -3.8289 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6761 -4.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9819 -4.4980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8423 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3423 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8380 -1.5636 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0949 -0.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -2.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5103 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 1.4191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 2.2281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 3.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 3.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 3.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 4.8642 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3471 5.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 4.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5604 4.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 5.3642 0.0000 Cl 0 5 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 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 6 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 15 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 3 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 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 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 19 20 1 0 0 0 0 M CHG 8 12 1 14 -1 21 1 23 -1 24 1 26 -1 33 1 37 -1 M END