NCI:646293 BBtclserve11129920022D 0 0.00000 0.00000224861 999-99-9 33 38 0 0 0 0 0 0 0 0 2 V2000 5.4487 2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2698 2.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1861 1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2813 0.7754 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4602 1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5438 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 0.2964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5528 -0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3166 0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2575 0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4346 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7299 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9661 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 -1.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -0.1294 0.0000 Ni 0 2 0 0 0 0 0 0 0 0 0 0 3.3219 1.1174 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.9319 -2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9659 -2.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4142 -0.8365 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3801 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 -2.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.8365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 -1.6709 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 8 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 4 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 18 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 25 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 7 16 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 20 24 1 0 0 0 0 29 30 1 0 0 0 0 31 33 1 0 0 0 0 M CHG 5 4 1 16 2 17 1 21 1 33 1 M END