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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 HC E   6   4   3      1.090    109.500    300.000
  8   CB CT 3   6   4   3      1.525    111.100     60.000
  9   HB HC E   8   6   4      1.090    109.500    180.000
 10  CG2 CT 3   8   6   4      1.525    109.470    300.000
 11 HG21 HC E  10   8   6      1.090    109.500     60.000
 12 HG22 HC E  10   8   6      1.090    109.500    180.000
 13 HG23 HC E  10   8   6      1.090    109.500    300.000
 14  OG1 OH S   8   6   4      1.430    109.470     60.000
 15  HG1 HO E  14   8   6      0.960    109.470    180.000
 16    C  C M   6   4   3      1.522    111.100    180.000
 17    O  O E  16   6   4      1.229    120.500      0.000