NCI:5069 BBtclserve11129916412D 0 0.00000 0.00000 5003 561-20-6 31 36 0 0 0 0 0 0 0 0 2 V2000 3.6886 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 1.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 2.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1269 2.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2186 1.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 3.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2186 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 -0.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 2.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6874 3.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0107 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4265 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0161 -1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5985 -1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8277 -0.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 -1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -2.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 -2.1023 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1972 -2.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7795 -3.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 -3.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 -1.2933 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7905 -3.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 14 15 2 0 0 0 0 13 17 1 0 0 0 0 16 19 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 2 26 1 30 -1 M END