C3H0s   1.61    0.72
C3H0b   1.61    0.72
C3H1t   1.76    0.68
C3H1s   1.76    0.68
C3H1b   1.76    0.68
C3H2u   1.76    0.77  !not refined
C4H1s   1.88    0.78
C4H1b   1.88    0.78
C4H2s   1.88    0.76
C4H2b   1.88    0.76
C4H3u   1.88    0.74
N2H0s   1.64    0.64
N2H0b   1.64    0.64
N3H0u   1.64    0.69
N3H1s   1.64    0.67
N3H1b   1.64    0.67
N3H2u   1.64    0.61
N4H3u   1.64    0.73
O1H0u   1.42    0.52
O2H0s   1.50    0.65
O2H0b   1.62    0.65
O2H1u   1.46    0.65
O2H2u   1.46    0.66  !not refined
S2H0u   1.77    1.04
S2H1u   1.77    1.04
P4H0u   1.82    0.97
O1N3HH  1.60    0.68  !not refined
Z2ION   0.74    0.74  !not refined
FE      1.70    0.70  !not refined
MGION   1.59    0.70  !not refined
DEFAULT 1.70    0.77  !not refined