NCI:236249 BBtclserve11129918272D 0 0.00000 0.00000149276 71000-85-6 21 23 0 0 0 0 0 0 0 0 2 V2000 2.9100 -0.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 0.0526 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6701 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.0036 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5823 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.2565 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8040 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 1.8126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5878 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 3.4307 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 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 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 11 16 1 0 0 0 0 12 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 2 0 0 0 0 18 21 2 0 0 0 0 6 8 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 M CHG 4 6 1 8 1 10 -1 13 -1 M END