NCI:216013 BBtclserve11129918222D 0 0.00000 0.00000143443 22108-62-9 28 30 0 0 0 0 0 0 0 0 2 V2000 6.4302 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1733 1.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6381 -0.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 1.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.7852 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4067 4.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -4.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -4.2852 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 13 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 16 21 1 0 0 0 0 18 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 9 12 1 0 0 0 0 19 22 1 0 0 0 0 24 26 1 0 0 0 0 M CHG 2 25 1 28 -1 M END