GP0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1A | N1 | sing | 1.37Å | 1.41Å | |
C1A | C2A | doub | 1.35Å | 1.38Å | |
C1A | H1A | sing | 1.08Å | 1.08Å | |
F1 | C2A | sing | 1.35Å | 1.34Å | |
N1 | C5A | sing | 1.35Å | 1.41Å | |
N1 | C1 | sing | 1.46Å | 1.48Å | |
C2A | C3A | sing | 1.42Å | 1.40Å | |
C3A | O3A | doub | 1.22Å | 1.23Å | |
C3A | N4 | sing | 1.35Å | 1.40Å | |
N4 | C5A | sing | 1.35Å | 1.39Å | |
N4 | HN4 | sing | 0.97Å | 1.00Å | |
C5A | O5A | doub | 1.22Å | 1.23Å | |
C1 | C2 | sing | 1.53Å | 1.56Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
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 | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | C7' | sing | 1.53Å | 1.56Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C7' | H7' | sing | 1.09Å | 1.10Å | |
C7' | O7' | sing | 1.43Å | 1.43Å | |
C7' | H14 | sing | 1.09Å | 1.10Å | |
O7' | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C1A | C2A | 119.5° | 119.7° |
N1 | C1A | H1A | 120.3° | 120.2° |
C1A | N1 | C5A | 120.1° | 120.6° |
C1A | N1 | C1 | 120.7° | 119.7° |
C2A | C1A | H1A | 120.2° | 120.2° |
C1A | C2A | F1 | 118.3° | 120.5° |
C1A | C2A | C3A | 120.4° | 119.1° |
F1 | C2A | C3A | 121.3° | 120.4° |
C5A | N1 | C1 | 119.2° | 119.7° |
N1 | C5A | N4 | 119.9° | 120.9° |
N1 | C5A | O5A | 121.0° | 119.5° |
N1 | C1 | C2 | 112.4° | 109.5° |
N1 | C1 | O5 | 113.4° | 109.5° |
N1 | C1 | H1 | 105.0° | 109.5° |
C2A | C3A | O3A | 121.8° | 120.3° |
C2A | C3A | N4 | 120.2° | 119.3° |
O3A | C3A | N4 | 117.9° | 120.3° |
C3A | N4 | C5A | 119.9° | 120.4° |
C3A | N4 | HN4 | 120.1° | 119.8° |
C5A | N4 | HN4 | 120.0° | 119.8° |
N4 | C5A | O5A | 119.1° | 119.5° |
C2 | C1 | O5 | 110.6° | 109.4° |
C2 | C1 | H1 | 108.1° | 109.4° |
C1 | C2 | O2 | 111.8° | 109.5° |
C1 | C2 | C3 | 110.8° | 109.2° |
C1 | C2 | H2 | 107.5° | 109.5° |
O5 | C1 | H1 | 107.0° | 109.5° |
C1 | O5 | C5 | 107.1° | 114.1° |
O2 | C2 | C3 | 111.2° | 109.5° |
O2 | C2 | H2 | 107.1° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 108.2° | 109.5° |
C2 | C3 | O3 | 111.3° | 109.6° |
C2 | C3 | C4 | 108.6° | 109.0° |
C2 | C3 | C7' | 109.6° | 109.5° |
O3 | C3 | C4 | 104.7° | 109.6° |
O3 | C3 | C7' | 108.1° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | C7' | 114.4° | 109.6° |
C3 | C4 | O4 | 108.9° | 109.5° |
C3 | C4 | C5 | 114.3° | 109.2° |
C3 | C4 | H4 | 107.5° | 109.5° |
C3 | C7' | H7' | 109.5° | 109.5° |
C3 | C7' | O7' | 109.5° | 109.4° |
C3 | C7' | H14 | 109.5° | 109.5° |
O4 | C4 | C5 | 112.2° | 109.5° |
O4 | C4 | H4 | 109.8° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.1° |
C5 | C4 | H4 | 103.8° | 109.6° |
C4 | C5 | O5 | 111.2° | 109.4° |
C4 | C5 | C6 | 113.6° | 109.5° |
C4 | C5 | H5 | 103.8° | 109.4° |
O5 | C5 | C6 | 103.9° | 109.5° |
O5 | C5 | H5 | 113.5° | 109.5° |
C6 | C5 | H5 | 111.1° | 109.5° |
C5 | C6 | O6 | 110.9° | 109.5° |
C5 | C6 | H61 | 109.0° | 109.4° |
C5 | C6 | H62 | 109.0° | 109.4° |
O6 | C6 | H61 | 109.0° | 109.5° |
O6 | C6 | H62 | 109.0° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 110.0° | 109.6° |
H7' | C7' | O7' | 109.5° | 109.4° |
H7' | C7' | H14 | 109.5° | 109.5° |
O7' | C7' | H14 | 109.5° | 109.5° |
C7' | O7' | H15 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1A | C2A | H1A | 180.0° | 179.7° |
N1 | C1A | C2A | F1 | 179.2° | 180.0° |
C1A | N1 | C5A | C1 | 179.4° | 180.0° |
N1 | C1A | C2A | C3A | 0.3° | 0.1° |
C1A | N1 | C5A | N4 | 0.4° | 0.1° |
C1A | N1 | C5A | O5A | 179.3° | 180.0° |
C1A | N1 | C1 | C2 | 43.8° | 115.0° |
C1A | N1 | C1 | O5 | 82.5° | 125.1° |
C1A | N1 | C1 | H1 | 161.0° | 5.0° |
C1A | C2A | F1 | C3A | 179.5° | 179.9° |
C2A | C1A | N1 | C5A | 0.1° | 0.1° |
C2A | C1A | N1 | C1 | 179.4° | 180.0° |
C1A | C2A | C3A | O3A | 178.5° | 180.0° |
C1A | C2A | C3A | N4 | 0.3° | 0.1° |
H1A | C1A | C2A | F1 | 0.8° | 0.3° |
H1A | C1A | N1 | C5A | 179.9° | 179.7° |
H1A | C1A | N1 | C1 | 0.6° | 0.3° |
H1A | C1A | C2A | C3A | 179.7° | 179.7° |
F1 | C2A | C3A | O3A | 2.0° | 0.0° |
F1 | C2A | C3A | N4 | 179.2° | 180.0° |
N1 | C5A | N4 | C3A | 0.4° | 0.1° |
N1 | C5A | N4 | O5A | 179.7° | 179.9° |
N1 | C5A | N4 | HN4 | 179.6° | 180.0° |
C5A | N1 | C1 | C2 | 135.7° | 65.1° |
C5A | N1 | C1 | O5 | 98.1° | 54.9° |
C5A | N1 | C1 | H1 | 18.4° | 175.0° |
C1 | N1 | C5A | N4 | 179.1° | 179.9° |
C1 | N1 | C5A | O5A | 1.3° | 0.0° |
N1 | C1 | C2 | O5 | 127.8° | 120.0° |
N1 | C1 | C2 | H1 | 115.4° | 120.0° |
N1 | C1 | O5 | H1 | 115.3° | 120.0° |
N1 | C1 | C2 | O2 | 46.2° | 62.5° |
N1 | C1 | C2 | C3 | 170.9° | 177.6° |
N1 | C1 | C2 | H2 | 71.0° | 57.7° |
N1 | C1 | O5 | C5 | 165.0° | 178.9° |
C2A | C3A | O3A | N4 | 178.8° | 179.9° |
C2A | C3A | N4 | C5A | 0.0° | 0.1° |
C2A | C3A | N4 | HN4 | 180.0° | 180.0° |
O3A | C3A | N4 | C5A | 178.9° | 179.9° |
O3A | C3A | N4 | HN4 | 1.1° | 0.1° |
C3A | N4 | C5A | HN4 | 180.0° | 179.9° |
C3A | N4 | C5A | O5A | 179.3° | 180.0° |
HN4 | N4 | C5A | O5A | 0.7° | 0.1° |
C2 | C1 | O5 | H1 | 117.5° | 119.9° |
C1 | C2 | O2 | C3 | 124.5° | 119.7° |
C1 | C2 | O2 | H2 | 117.5° | 120.1° |
C1 | C2 | C3 | H2 | 117.6° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 162.8° | 176.8° |
C1 | C2 | C3 | C4 | 48.0° | 56.9° |
C1 | C2 | C3 | C7' | 77.6° | 63.0° |
C2 | C1 | O5 | C5 | 67.7° | 61.1° |
O5 | C1 | C2 | O2 | 174.0° | 177.5° |
O5 | C1 | C2 | C3 | 61.3° | 57.6° |
O5 | C1 | C2 | H2 | 56.7° | 62.4° |
C1 | O5 | C5 | C4 | 63.3° | 61.1° |
C1 | O5 | C5 | C6 | 174.1° | 178.9° |
C1 | O5 | C5 | H5 | 53.3° | 58.8° |
H1 | C1 | C2 | O2 | 69.2° | 57.5° |
H1 | C1 | C2 | C3 | 55.5° | 62.4° |
H1 | C1 | C2 | H2 | 173.6° | 177.7° |
H1 | C1 | O5 | C5 | 49.8° | 58.8° |
O2 | C2 | C3 | H2 | 117.3° | 120.1° |
O2 | C2 | C3 | O3 | 72.2° | 63.2° |
O2 | C2 | C3 | C4 | 173.0° | 176.9° |
O2 | C2 | C3 | C7' | 47.4° | 57.0° |
C3 | C2 | O2 | HO2 | 55.6° | 179.7° |
C2 | C3 | O3 | C4 | 117.1° | 119.6° |
C2 | C3 | O3 | C7' | 120.5° | 120.1° |
C2 | C3 | C4 | C7' | 122.8° | 119.8° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | O4 | 171.9° | 176.8° |
C2 | C3 | C4 | C5 | 45.6° | 56.9° |
C2 | C3 | C4 | H4 | 69.1° | 63.1° |
C2 | C3 | C7' | H7' | 48.8° | 65.1° |
C2 | C3 | C7' | O7' | 168.8° | 175.0° |
C2 | C3 | C7' | H14 | 71.2° | 55.0° |
H2 | C2 | O2 | HO2 | 62.5° | 60.1° |
H2 | C2 | C3 | O3 | 45.1° | 56.9° |
H2 | C2 | C3 | C4 | 69.6° | 63.0° |
H2 | C2 | C3 | C7' | 164.7° | 177.1° |
O3 | C3 | C4 | C7' | 118.2° | 120.3° |
O3 | C3 | C4 | O4 | 69.1° | 63.3° |
O3 | C3 | C4 | C5 | 164.5° | 176.8° |
O3 | C3 | C4 | H4 | 49.9° | 56.8° |
O3 | C3 | C7' | H7' | 170.4° | 55.1° |
O3 | C3 | C7' | O7' | 69.6° | 64.8° |
O3 | C3 | C7' | H14 | 50.4° | 175.2° |
C4 | C3 | O3 | HO3 | 62.9° | 60.5° |
C3 | C4 | O4 | C5 | 127.6° | 119.7° |
C3 | C4 | O4 | H4 | 117.5° | 120.0° |
C3 | C4 | C5 | H4 | 116.8° | 119.9° |
C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
C3 | C4 | C5 | O5 | 54.6° | 57.6° |
C3 | C4 | C5 | C6 | 171.4° | 177.6° |
C3 | C4 | C5 | H5 | 67.8° | 62.3° |
C4 | C3 | C7' | H7' | 73.4° | 175.4° |
C4 | C3 | C7' | O7' | 46.6° | 55.5° |
C4 | C3 | C7' | H14 | 166.6° | 64.5° |
C7' | C3 | O3 | HO3 | 59.5° | 59.8° |
C7' | C3 | C4 | O4 | 49.1° | 57.0° |
C7' | C3 | C4 | C5 | 77.3° | 62.9° |
C7' | C3 | C4 | H4 | 168.1° | 177.1° |
C3 | C7' | H7' | O7' | 120.0° | 120.0° |
C3 | C7' | H7' | H14 | 120.0° | 120.1° |
C3 | C7' | O7' | H14 | 120.0° | 120.0° |
C3 | C7' | O7' | H15 | 180.0° | 179.9° |
O4 | C4 | C5 | H4 | 118.5° | 120.2° |
O4 | C4 | C5 | O5 | 179.3° | 177.5° |
O4 | C4 | C5 | C6 | 64.0° | 62.5° |
O4 | C4 | C5 | H5 | 56.8° | 57.6° |
C5 | C4 | O4 | HO4 | 52.4° | 60.3° |
C4 | C5 | O5 | C6 | 122.6° | 120.0° |
C4 | C5 | O5 | H5 | 116.6° | 119.9° |
C4 | C5 | C6 | H5 | 116.6° | 120.0° |
C4 | C5 | C6 | O6 | 55.6° | 175.0° |
C4 | C5 | C6 | H61 | 175.6° | 55.0° |
C4 | C5 | C6 | H62 | 64.4° | 65.0° |
H4 | C4 | O4 | HO4 | 62.5° | 59.9° |
H4 | C4 | C5 | O5 | 62.2° | 62.3° |
H4 | C4 | C5 | C6 | 54.6° | 57.7° |
H4 | C4 | C5 | H5 | 175.4° | 177.7° |
O5 | C5 | C6 | H5 | 122.5° | 120.0° |
O5 | C5 | C6 | O6 | 65.3° | 65.1° |
O5 | C5 | C6 | H61 | 54.7° | 175.0° |
O5 | C5 | C6 | H62 | 174.7° | 54.9° |
C5 | C6 | O6 | H61 | 120.0° | 119.9° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H62 | 119.4° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 172.2° | 55.0° |
H5 | C5 | C6 | H61 | 67.8° | 65.0° |
H5 | C5 | C6 | H62 | 52.2° | 174.9° |
O6 | C6 | H61 | H62 | 119.4° | 120.0° |
H61 | C6 | O6 | HO6 | 60.0° | 60.1° |
H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
H7' | C7' | O7' | H14 | 120.0° | 120.0° |
H7' | C7' | O7' | H15 | 59.9° | 60.0° |
H14 | C7' | O7' | H15 | 60.1° | 60.1° |