NCI:310781 BBtclserve11129918582D 0 0.00000 0.00000170981 52596-28-8 27 30 0 0 0 0 0 0 0 0 2 V2000 8.4144 2.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 2.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 1.3758 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.6823 2.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 0.8758 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 2.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 0.3758 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.8163 0.3758 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.8163 1.3758 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 9.2487 -1.2930 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1161 -1.2931 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9503 2.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 -0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 -0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2432 -1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8421 -2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5229 -2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 -1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 -1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9503 -1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4512 -2.3756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5851 -2.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -2.3757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 -2.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3647 -2.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 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 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 6 9 2 0 0 0 0 14 20 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 6 3 1 7 1 8 1 9 1 10 1 11 1 M END