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. 2011 Jul 18;67(Pt 4):333–349. doi: 10.1107/S0108768111024608

Table 1. Statistics for complete-molecule untyped fragment CCN.

S.d. = standard deviation (default values used for CH3CH2NH2).

Bond-type option CCN CCN
Atom-property option CH3CN CH3CH2NHInline graphic CH3CH2NH2
No. observations 5102 40 4
CCN angle () Mean 175.02 113.76 113.05
S.d. 8.23 6.20 4.00
CC distance () Mean 1.432 1.473 1.497
S.d. 0.082 0.120 0.040
CN distance () Mean 1.142 1.488 1.505
S.d. 0.080 0.060 0.040