NCI:176510 BBtclserve11129918102D 0 0.00000 0.00000129911 999-99-9 75 82 0 0 0 0 0 0 0 0 2 V2000 6.3068 0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3068 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 -0.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 -0.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 -1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 2.6969 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5000 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 2.6969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 2.1969 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 3.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 4.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 3.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5539 -0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 1.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 2.6969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 1.1969 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9049 4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.0629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 4.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5446 -0.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 1.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 3.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 4.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1575 -1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 4.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3097 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1483 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7797 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 4.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 -1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7612 -2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 5.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8097 4.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6265 -2.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7519 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3649 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3556 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9870 -3.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 -3.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9593 -3.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5722 -3.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5629 -3.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1943 -4.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1758 -4.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1666 -4.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7795 -5.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7702 -5.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4016 -6.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3831 -5.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3739 -5.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9868 -6.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9775 -6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6090 -7.5270 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 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1 M END