summaryrefslogtreecommitdiff
path: root/cad/tests/AMBER_test_structures/dot_in/opls_uni/ASP_ASPARTIC_ACID.in_frag
blob: 89680f395d673bb045199a9dfb2b1f834edb3285 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
  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   HN  H E   4   3   2      1.010    119.800      0.000
  6   CA CH M   4   3   2      1.449    121.900    180.000
  7   CB C2 S   6   4   3      1.525    111.100     60.000
  8   CG  C B   7   6   4      1.527    109.470    180.000
  9  OD1 O2 E   8   7   6      1.260    117.200     90.000
 10  OD2 O2 E   8   7   6      1.260    117.200    270.000
 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