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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      1.335    116.600    180.000
  5    H  H E   4   3   2      1.010    119.800      0.000
  6   CA CT M   4   3   2      1.449    121.900    180.000
  7   HA H1 E   6   4   3      1.090    109.500    300.000
  8   CB C2 S   6   4   3      1.525    111.100     60.000
  9   SG SH S   8   6   4      1.810    116.000    180.000
 10   HG HS E   9   8   6      1.330     96.000    180.000
 11    C  C M   6   4   3      1.522    111.100    180.000
 12    O  O E  11   6   4      1.229    120.500      0.000