cxy0495
     RDKit          3D

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M  RAD  8   1   3   3   3   4   3   5   3   6   3   7   3   8   3   9   3
M  RAD  8  10   3  11   3  12   3  13   3  14   3  15   3  17   3  18   3
M  RAD  8  19   2  20   2  21   3  22   3  23   3  24   3  25   3  26   3
M  RAD  8  27   3  28   3  29   3  30   3  31   3  32   3  33   3  34   2
M  RAD  8  35   2  36   3  37   2  38   3  47   2  55   2  56   2  58   3
M  RAD  8  59   3  64   2  66   2  67   3  68   2  70   2  72   2  76   2
M  RAD  8  78   3  79   2  81   2  82   3  84   2  86   3  87   3  91   3
M  RAD  8  93   3  94   3  95   3  97   2 100   2 104   2 108   2 109   2
M  RAD  4 111   2 112   2 115   3 119   2
M  END
$$$$
