NCI:528997 BBtclserve11129919322D 0 0.00000 0.00000204284 3112-60-5 23 25 0 0 0 0 0 0 0 0 2 V2000 7.7630 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -3.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 -3.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 1.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.1307 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 2.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 1.2171 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 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 9 10 1 0 0 0 0 12 14 1 0 0 0 0 19 20 2 0 0 0 0 M CHG 2 21 1 23 -1 M END