NCI:176506 BBtclserve11129918102D 0 0.00000 0.00000129907 999-99-9 77 84 0 0 0 0 0 0 0 0 2 V2000 7.3068 2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3068 1.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 3.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4408 1.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 1.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 4.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4408 0.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 4.7672 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5000 5.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 4.7672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 2.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9049 4.2672 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 9.0388 5.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 5.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0878 6.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 5.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4089 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 3.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 4.7672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9049 3.2672 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9049 6.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 6.1332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 4.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7788 7.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 3.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4082 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1165 3.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6369 4.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 5.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8762 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 5.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6369 3.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7220 6.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5630 1.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5685 1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8755 0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3448 -0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3097 5.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0310 7.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9408 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 6.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3434 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8097 6.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3618 7.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3279 0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3428 -0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8097 6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8107 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8100 -1.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2793 -2.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3097 6.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2780 -2.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8097 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2773 -2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8097 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7452 -3.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7445 -3.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2138 -4.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 -4.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2118 -4.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6797 -5.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6791 -5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1483 -6.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1470 -6.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1463 -6.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6143 -7.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6136 -7.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0829 -7.8653 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 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0 14 16 1 0 0 0 0 17 19 1 0 0 0 0 22 30 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 M CHG 2 9 1 21 1 M END