Wrong atom definition in C-H/H-C experiment

[rvhonorato]

It should be a pairwise combination:

M1CA-M1HA	55.12	4.55
M1CE-M1HE	17.25	1.72
Q2CA-Q2HA	54.9	5.27
I3CA-I3HA	59.5	4.21
I3CB-I3HB	42.4	1.77
I3CG2-I3HG2	18.1	0.66
I3CD1-I3HD1	14.3	0.61

Whilst now its doing an all-vs-all combination

S1C-S1H 172.29  8.44
S1C-S1HB2       172.29  3.87
S1C-S1HB3       172.29  3.90
S1CA-S1H        57.16   8.44
S1CA-S1HB2      57.16   3.87
S1CA-S1HB3      57.16   3.90
S1CB-S1H        63.03   8.44

This is implied by the atom notation of CX-HX, we then need a new definition in the catalog for this type of combination.