IHF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.53Å | 1.52Å | |
O07 | C06 | doub | 1.22Å | 1.19Å | |
N05 | C04 | sing | 1.41Å | 1.45Å | |
C06 | C04 | sing | 1.42Å | 1.49Å | |
C06 | N08 | sing | 1.35Å | 1.45Å | |
C04 | C03 | doub | 1.35Å | 1.49Å | |
N08 | C09 | sing | 1.35Å | 1.48Å | |
C03 | C02 | sing | 1.51Å | 1.52Å | |
C03 | N11 | sing | 1.37Å | 1.45Å | |
C09 | N11 | sing | 1.35Å | 1.48Å | |
C09 | O10 | doub | 1.22Å | 1.18Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
N05 | H8 | sing | 0.97Å | 1.00Å | |
N05 | H9 | sing | 0.97Å | 1.00Å | |
N08 | H10 | sing | 0.97Å | 1.00Å | |
N11 | H6 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 110.3° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
C01 | C02 | H4 | 109.3° | 109.4° |
C01 | C02 | H5 | 109.3° | 109.5° |
O07 | C06 | C04 | 120.2° | 120.3° |
O07 | C06 | N08 | 120.4° | 120.3° |
N05 | C04 | C06 | 118.5° | 120.5° |
N05 | C04 | C03 | 121.8° | 120.5° |
C04 | N05 | H8 | 109.5° | 120.0° |
C04 | N05 | H9 | 109.5° | 120.0° |
C04 | C06 | N08 | 119.3° | 119.4° |
C06 | C04 | C03 | 119.7° | 119.0° |
C06 | N08 | C09 | 121.0° | 120.4° |
C06 | N08 | H10 | 119.5° | 119.8° |
C04 | C03 | C02 | 122.0° | 120.2° |
C04 | C03 | N11 | 120.2° | 119.6° |
N08 | C09 | N11 | 119.5° | 121.0° |
N08 | C09 | O10 | 120.3° | 119.5° |
C09 | N08 | H10 | 119.5° | 119.8° |
C02 | C03 | N11 | 117.8° | 120.2° |
C03 | C02 | H4 | 109.2° | 109.5° |
C03 | C02 | H5 | 109.3° | 109.5° |
C03 | N11 | C09 | 120.2° | 120.6° |
C03 | N11 | H6 | 119.9° | 119.7° |
N11 | C09 | O10 | 120.2° | 119.5° |
C09 | N11 | H6 | 119.9° | 119.7° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.4° | 109.5° |
H4 | C02 | H5 | 109.5° | 109.4° |
H8 | N05 | H9 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C03 | C04 | 108.9° | 95.3° |
C01 | C02 | C03 | H4 | 120.1° | 120.0° |
C01 | C02 | C03 | H5 | 120.1° | 120.1° |
C01 | C02 | C03 | N11 | 69.9° | 85.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | H4 | H5 | 119.6° | 120.0° |
O07 | C06 | C04 | N05 | 0.1° | 0.0° |
O07 | C06 | C04 | N08 | 180.0° | 180.0° |
O07 | C06 | C04 | C03 | 179.3° | 180.0° |
O07 | C06 | N08 | C09 | 178.7° | 180.0° |
O07 | C06 | N08 | H10 | 1.3° | 0.0° |
N05 | C04 | C06 | C03 | 179.1° | 180.0° |
N05 | C04 | C06 | N08 | 179.9° | 180.0° |
N05 | C04 | C03 | C02 | 0.2° | 0.0° |
N05 | C04 | C03 | N11 | 179.0° | 179.7° |
C04 | N05 | H8 | H9 | 120.0° | 179.9° |
C04 | C06 | N08 | C09 | 1.3° | 0.0° |
C06 | C04 | C03 | C02 | 178.9° | 180.0° |
C06 | C04 | C03 | N11 | 0.2° | 0.3° |
C06 | C04 | N05 | H8 | 180.0° | 180.0° |
C06 | C04 | N05 | H9 | 60.0° | 0.0° |
C04 | C06 | N08 | H10 | 178.7° | 180.0° |
N08 | C06 | C04 | C03 | 0.8° | 0.0° |
C06 | N08 | C09 | H10 | 180.0° | 180.0° |
C06 | N08 | C09 | N11 | 0.9° | 0.3° |
C06 | N08 | C09 | O10 | 178.6° | 179.8° |
C04 | C03 | C02 | N11 | 178.8° | 179.7° |
C04 | C03 | N11 | C09 | 0.6° | 0.6° |
C04 | C03 | C02 | H4 | 11.2° | 24.7° |
C04 | C03 | C02 | H5 | 131.0° | 144.7° |
C03 | C04 | N05 | H8 | 0.9° | 0.0° |
C03 | C04 | N05 | H9 | 120.9° | 180.0° |
C04 | C03 | N11 | H6 | 179.4° | 179.8° |
N08 | C09 | N11 | C03 | 0.0° | 0.6° |
N08 | C09 | N11 | O10 | 179.5° | 179.4° |
N08 | C09 | N11 | H6 | 179.9° | 179.7° |
C02 | C03 | N11 | C09 | 179.4° | 179.7° |
C03 | C02 | C01 | H1 | 180.0° | 60.0° |
C03 | C02 | C01 | H2 | 60.0° | 180.0° |
C03 | C02 | C01 | H3 | 60.0° | 60.0° |
C03 | C02 | H4 | H5 | 119.6° | 120.0° |
C02 | C03 | N11 | H6 | 0.6° | 0.1° |
C03 | N11 | C09 | H6 | 180.0° | 179.6° |
C03 | N11 | C09 | O10 | 179.5° | 180.0° |
N11 | C03 | C02 | H4 | 170.0° | 155.0° |
N11 | C03 | C02 | H5 | 50.2° | 35.0° |
N11 | C09 | N08 | H10 | 179.1° | 179.7° |
O10 | C09 | N08 | H10 | 1.4° | 0.3° |
O10 | C09 | N11 | H6 | 0.5° | 0.3° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | C02 | H4 | 59.9° | 180.0° |
H1 | C01 | C02 | H5 | 59.9° | 60.0° |
H2 | C01 | C02 | H4 | 60.1° | 60.0° |
H2 | C01 | C02 | H5 | 179.9° | 60.0° |
H3 | C01 | C02 | H4 | 179.9° | 60.0° |
H3 | C01 | C02 | H5 | 60.1° | 180.0° |