NCI:176500 BBtclserve11129918102D 0 0.00000 0.00000129901 999-99-9 72 80 0 0 0 0 0 0 0 0 2 V2000 6.3068 1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3068 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 3.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 3.8780 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5000 4.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 3.8780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 3.3780 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 4.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 5.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 4.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5539 0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 3.8780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 2.3780 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9049 5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 6.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5446 0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 4.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 3.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 5.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1575 -0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7219 5.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3097 4.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1483 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7797 -1.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 4.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7612 -0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0091 6.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6265 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7519 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3649 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3556 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9870 -2.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 -2.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9593 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5722 -2.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5629 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1943 -3.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1758 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1666 -3.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7795 -4.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7702 -3.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4016 -5.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3831 -4.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3739 -4.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9868 -5.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9775 -5.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6090 -6.3460 0.0000 C 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 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 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 10 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 2 0 0 0 0 15 23 1 0 0 0 0 15 24 2 0 0 0 0 16 25 1 0 0 0 0 17 26 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 2 0 0 0 0 23 33 1 0 0 0 0 27 34 1 0 0 0 0 29 35 2 0 0 0 0 30 36 1 0 0 0 0 30 37 2 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 34 43 2 0 0 0 0 35 44 1 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 39 47 1 0 0 0 0 40 48 1 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 44 51 1 0 0 0 0 46 52 2 0 0 0 0 48 53 1 0 0 0 0 50 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 11 13 1 0 0 0 0 14 16 1 0 0 0 0 17 19 1 0 0 0 0 22 29 1 0 0 0 0 26 32 1 0 0 0 0 31 36 2 0 0 0 0 35 37 1 0 0 0 0 38 39 2 0 0 0 0 49 53 1 0 0 0 0 M CHG 2 9 1 21 1 M END