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  1 DUMM DU M   0  -1  -2      0.000      0.000      0.000
  2 DUMM DU M   1   0  -1      1.449      0.000      0.000
  3 DUMM DU M   2   1   0      1.522    111.100      0.000
  4    N  N M   3   2   1      1.337    117.000    180.000
  5   CD C2 S   4   3   2      1.458    126.100    356.100
  6   CG C2 S   5   4   3      1.500    103.200    200.100
  7   CB C2 E   6   5   4      1.510    106.000    338.300
  8   CA CH M   4   3   2      1.451    120.600    175.200
  9    C  C M   8   4   3      1.522    111.100      0.000
 10    O  O E   9   8   4      1.229    120.500      0.000