NCI:637611 BBtclserve11129919562D 0 0.00000 0.00000220582 999-99-9 55 58 0 0 0 0 0 0 0 0 2 V2000 15.6953 -0.4473 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.6953 -1.4473 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.5613 0.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8293 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8293 1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9632 1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0972 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9632 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9632 2.5527 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.8293 3.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0972 3.0527 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.2312 1.5527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0972 1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 1.0527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4991 1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4991 2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8659 1.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 1.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0379 2.6793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2707 3.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3316 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5645 3.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7364 4.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6755 4.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4426 4.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3817 4.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7671 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9999 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4954 1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.1892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 -0.6797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 -0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 -1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5045 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -2.4170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0182 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5137 -2.4118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5045 -0.7005 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.5692 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7671 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 -1.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 -1.9473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 -2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7671 -3.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7671 -4.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 -4.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4991 -4.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4991 -3.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 -2.9473 0.0000 C 0 0 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 4 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 6 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 21 26 2 0 0 0 0 26 27 1 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 34 39 2 0 0 0 0 35 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 37 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 29 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 49 54 2 0 0 0 0 50 55 1 0 0 0 0 7 8 1 0 0 0 0 12 13 1 0 0 0 0 7 13 2 0 0 0 0 25 26 1 0 0 0 0 38 39 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 8 1 1 2 -1 9 1 11 -1 40 1 42 -1 43 1 45 -1 M END