summaryrefslogtreecommitdiff
path: root/cad/tests/AMBER_test_structures/dot_in/glycam04EP/OME_o-methyl_for_glycon_RESP_0.010__op_avg._from_ens_avg_a_s_b-glcgalman_w_s__EPs_cp_.in_frag
blob: 8768ac7347b08da186224dfea595f7ba407217f3 (plain)
1
2
3
4
5
6
7
8
9
10
  1 DUMM DU M   0  -1  -2      0.000      0.000      0.000
  2 DUMM DU M   1   0  -1      1.000      0.000      0.000
  3 DUMM DU M   2   1   0      1.000     90.000      0.000
  4   H1 H1 M   3   2   1      1.000     90.000    180.000
  5  CH3 CG M   4   3   2      1.085    109.500    180.000
  6   H2 H1 E   5   4   3      1.085    111.400     60.000
  7   H3 H1 E   5   4   3      1.085    111.400    -60.000
  8    O OS M   5   4   3      1.399    107.000    180.000
  9 EP+1 EP E   8   5   4      0.700    109.500     60.000
 10 EP-1 EP E   8   5   4      0.700    109.500    -60.000