cxy0294
     RDKit          3D

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M  RAD  8   1   3   2   3   3   2   4   3   6   3   7   2   8   3   9   2
M  RAD  8  11   3  13   3  15   3  16   3  17   3  18   3  19   2  22   3
M  RAD  8  23   3  24   3  25   3  26   3  27   3  28   3  29   3  30   2
M  RAD  8  31   2  33   2  35   3  36   3  40   3  42   3  46   3  49   2
M  RAD  8  50   3  51   3  52   2  56   3  57   2  63   2  70   2  71   2
M  RAD  4  72   2  80   3  81   2  83   2
M  END
$$$$
