6GP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C1 | N1 | sing | 1.46Å | 1.46Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.57Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.46Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.45Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
N1 | C7 | sing | 1.35Å | 1.35Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C7 | O7 | doub | 1.21Å | 1.22Å | |
C7 | C8 | sing | 1.49Å | 1.48Å | |
C8 | O8 | doub | 1.21Å | 1.23Å | |
C8 | O9 | sing | 1.35Å | 1.36Å | |
C9 | O9 | sing | 1.45Å | 1.45Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H93 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 110.8° | 109.7° |
C2 | C1 | N1 | 108.7° | 109.4° |
C2 | C1 | H1 | 108.9° | 109.4° |
C1 | C2 | O2 | 111.1° | 109.6° |
C1 | C2 | C3 | 108.7° | 109.0° |
C1 | C2 | H2 | 108.7° | 109.6° |
O5 | C1 | N1 | 108.9° | 109.4° |
O5 | C1 | H1 | 108.8° | 109.4° |
C1 | O5 | C5 | 112.3° | 107.7° |
N1 | C1 | H1 | 110.8° | 109.4° |
C1 | N1 | C7 | 122.4° | 120.0° |
C1 | N1 | HN1 | 118.8° | 120.0° |
O2 | C2 | C3 | 108.9° | 109.6° |
O2 | C2 | H2 | 108.5° | 109.6° |
C2 | O2 | HO2 | 109.5° | 106.8° |
C3 | C2 | H2 | 110.9° | 109.5° |
C2 | C3 | O3 | 110.8° | 109.7° |
C2 | C3 | C4 | 108.6° | 108.7° |
C2 | C3 | H3 | 109.4° | 109.6° |
O3 | C3 | C4 | 110.2° | 109.7° |
O3 | C3 | H3 | 107.8° | 109.6° |
C3 | O3 | HO3 | 109.5° | 106.8° |
C4 | C3 | H3 | 110.0° | 109.6° |
C3 | C4 | O4 | 110.2° | 109.6° |
C3 | C4 | C5 | 109.3° | 109.0° |
C3 | C4 | H4 | 109.4° | 109.5° |
O4 | C4 | C5 | 110.3° | 109.5° |
O4 | C4 | H4 | 108.4° | 109.5° |
C4 | O4 | HO4 | 109.5° | 106.8° |
C5 | C4 | H4 | 109.2° | 109.5° |
C4 | C5 | O5 | 109.9° | 109.8° |
C4 | C5 | C6 | 110.8° | 109.4° |
C4 | C5 | H5 | 108.0° | 109.4° |
O5 | C5 | C6 | 108.6° | 109.4° |
O5 | C5 | H5 | 110.2° | 109.4° |
C6 | C5 | H5 | 109.3° | 109.4° |
C5 | C6 | O6 | 111.0° | 109.5° |
C5 | C6 | H61 | 108.6° | 109.4° |
C5 | C6 | H62 | 109.0° | 109.4° |
O6 | C6 | H61 | 108.6° | 109.5° |
O6 | C6 | H62 | 109.0° | 109.5° |
C6 | O6 | HO6 | 109.5° | 106.8° |
H61 | C6 | H62 | 110.7° | 109.5° |
C7 | N1 | HN1 | 118.8° | 120.0° |
N1 | C7 | O7 | 121.2° | 120.0° |
N1 | C7 | C8 | 116.4° | 120.0° |
O7 | C7 | C8 | 122.4° | 120.0° |
C7 | C8 | O8 | 117.1° | 119.9° |
C7 | C8 | O9 | 124.2° | 120.0° |
O8 | C8 | O9 | 118.6° | 120.0° |
C8 | O9 | C9 | 119.6° | 120.0° |
O9 | C9 | H91 | 109.4° | 109.5° |
O9 | C9 | H92 | 109.5° | 109.4° |
O9 | C9 | H93 | 109.5° | 109.5° |
H91 | C9 | H92 | 109.5° | 109.5° |
H91 | C9 | H93 | 109.5° | 109.5° |
H92 | C9 | H93 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | N1 | 119.5° | 120.1° |
C2 | C1 | O5 | H1 | 119.7° | 120.0° |
C2 | C1 | N1 | H1 | 119.7° | 119.9° |
C1 | C2 | O2 | C3 | 119.7° | 119.6° |
C1 | C2 | O2 | H2 | 119.4° | 120.3° |
C1 | C2 | C3 | H2 | 119.4° | 119.9° |
C1 | C2 | O2 | HO2 | 8.9° | 60.4° |
C1 | C2 | C3 | O3 | 179.0° | 173.6° |
C1 | C2 | C3 | C4 | 57.8° | 53.8° |
C1 | C2 | C3 | H3 | 62.2° | 66.0° |
C2 | C1 | O5 | C5 | 60.9° | 67.6° |
C2 | C1 | N1 | C7 | 141.2° | 144.8° |
C2 | C1 | N1 | HN1 | 38.8° | 35.1° |
O5 | C1 | N1 | H1 | 119.6° | 119.8° |
O5 | C1 | C2 | O2 | 178.9° | 178.8° |
O5 | C1 | C2 | C3 | 59.1° | 61.3° |
O5 | C1 | C2 | H2 | 61.7° | 58.6° |
C1 | O5 | C5 | C4 | 59.7° | 67.6° |
C1 | O5 | C5 | C6 | 178.9° | 172.4° |
C1 | O5 | C5 | H5 | 59.2° | 52.5° |
O5 | C1 | N1 | C7 | 98.0° | 94.9° |
O5 | C1 | N1 | HN1 | 82.0° | 85.2° |
N1 | C1 | C2 | O2 | 61.4° | 58.7° |
N1 | C1 | C2 | C3 | 178.7° | 178.6° |
N1 | C1 | C2 | H2 | 57.9° | 61.5° |
N1 | C1 | O5 | C5 | 179.5° | 172.3° |
C1 | N1 | C7 | HN1 | 180.0° | 179.9° |
C1 | N1 | C7 | O7 | 0.3° | 0.0° |
C1 | N1 | C7 | C8 | 179.2° | 180.0° |
H1 | C1 | C2 | O2 | 59.3° | 61.2° |
H1 | C1 | C2 | C3 | 60.5° | 58.8° |
H1 | C1 | C2 | H2 | 178.7° | 178.6° |
H1 | C1 | O5 | C5 | 58.7° | 52.5° |
H1 | C1 | N1 | C7 | 21.5° | 25.0° |
H1 | C1 | N1 | HN1 | 158.5° | 155.0° |
O2 | C2 | C3 | H2 | 119.4° | 120.2° |
O2 | C2 | C3 | O3 | 59.7° | 66.5° |
O2 | C2 | C3 | C4 | 179.1° | 173.7° |
O2 | C2 | C3 | H3 | 59.0° | 53.9° |
C3 | C2 | O2 | HO2 | 128.6° | 180.0° |
C2 | C3 | O3 | C4 | 120.3° | 119.3° |
C2 | C3 | O3 | H3 | 119.7° | 120.4° |
C2 | C3 | C4 | H3 | 119.7° | 119.8° |
C2 | C3 | O3 | HO3 | 153.8° | 60.7° |
C2 | C3 | C4 | O4 | 179.0° | 173.6° |
C2 | C3 | C4 | C5 | 57.6° | 53.7° |
C2 | C3 | C4 | H4 | 62.0° | 66.1° |
H2 | C2 | O2 | HO2 | 110.6° | 59.8° |
H2 | C2 | C3 | O3 | 59.6° | 53.8° |
H2 | C2 | C3 | C4 | 61.6° | 66.1° |
H2 | C2 | C3 | H3 | 178.3° | 174.1° |
O3 | C3 | C4 | H3 | 118.7° | 120.3° |
O3 | C3 | C4 | O4 | 59.5° | 66.4° |
O3 | C3 | C4 | C5 | 179.1° | 173.6° |
O3 | C3 | C4 | H4 | 59.6° | 53.8° |
C4 | C3 | O3 | HO3 | 85.9° | 180.0° |
C3 | C4 | O4 | C5 | 120.8° | 119.6° |
C3 | C4 | O4 | H4 | 119.6° | 120.2° |
C3 | C4 | C5 | H4 | 119.6° | 119.8° |
C3 | C4 | O4 | HO4 | 105.6° | 60.4° |
C3 | C4 | C5 | O5 | 57.9° | 61.2° |
C3 | C4 | C5 | C6 | 178.0° | 178.7° |
C3 | C4 | C5 | H5 | 62.3° | 58.8° |
H3 | C3 | O3 | HO3 | 34.1° | 59.7° |
H3 | C3 | C4 | O4 | 59.3° | 53.9° |
H3 | C3 | C4 | C5 | 62.2° | 66.0° |
H3 | C3 | C4 | H4 | 178.3° | 174.1° |
O4 | C4 | C5 | H4 | 119.0° | 120.2° |
O4 | C4 | C5 | O5 | 179.3° | 178.8° |
O4 | C4 | C5 | C6 | 60.7° | 58.7° |
O4 | C4 | C5 | H5 | 59.0° | 61.2° |
C5 | C4 | O4 | HO4 | 15.3° | 180.0° |
C4 | C5 | O5 | C6 | 121.4° | 120.1° |
C4 | C5 | O5 | H5 | 118.9° | 120.1° |
C4 | C5 | C6 | H5 | 118.9° | 119.8° |
C4 | C5 | C6 | O6 | 48.8° | 174.7° |
C4 | C5 | C6 | H61 | 70.6° | 54.7° |
C4 | C5 | C6 | H62 | 168.8° | 65.3° |
H4 | C4 | O4 | HO4 | 134.8° | 59.8° |
H4 | C4 | C5 | O5 | 61.7° | 58.6° |
H4 | C4 | C5 | C6 | 58.4° | 61.5° |
H4 | C4 | C5 | H5 | 178.0° | 178.7° |
O5 | C5 | C6 | H5 | 120.3° | 119.8° |
O5 | C5 | C6 | O6 | 72.0° | 65.0° |
O5 | C5 | C6 | H61 | 168.6° | 175.0° |
O5 | C5 | C6 | H62 | 48.0° | 55.0° |
C5 | C6 | O6 | H61 | 119.4° | 120.0° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H62 | 119.6° | 120.0° |
C5 | C6 | O6 | HO6 | 77.9° | 180.0° |
H5 | C5 | C6 | O6 | 167.7° | 54.8° |
H5 | C5 | C6 | H61 | 48.4° | 65.1° |
H5 | C5 | C6 | H62 | 72.3° | 174.9° |
O6 | C6 | H61 | H62 | 119.6° | 120.0° |
H61 | C6 | O6 | HO6 | 41.5° | 60.0° |
H62 | C6 | O6 | HO6 | 162.1° | 60.0° |
N1 | C7 | O7 | C8 | 179.5° | 180.0° |
N1 | C7 | C8 | O8 | 155.9° | 0.1° |
N1 | C7 | C8 | O9 | 23.0° | 180.0° |
HN1 | N1 | C7 | O7 | 179.7° | 180.0° |
HN1 | N1 | C7 | C8 | 0.8° | 0.1° |
O7 | C7 | C8 | O8 | 23.6° | 180.0° |
O7 | C7 | C8 | O9 | 157.5° | 0.0° |
C7 | C8 | O8 | O9 | 179.0° | 180.0° |
C7 | C8 | O9 | C9 | 141.5° | 180.0° |
O8 | C8 | O9 | C9 | 39.6° | 0.0° |
C8 | O9 | C9 | H91 | 83.5° | 60.0° |
C8 | O9 | C9 | H92 | 36.5° | 180.0° |
C8 | O9 | C9 | H93 | 156.5° | 60.0° |
O9 | C9 | H91 | H92 | 120.0° | 120.0° |
O9 | C9 | H91 | H93 | 120.0° | 120.0° |
O9 | C9 | H92 | H93 | 120.0° | 120.0° |
H91 | C9 | H92 | H93 | 120.0° | 120.0° |