GE1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | O | sing | 1.43Å | 1.47Å | |
C5 | C4 | sing | 1.53Å | 1.55Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
O | C1 | sing | 1.42Å | 1.46Å | |
C1 | O1 | sing | 1.43Å | 1.46Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | N2 | sing | 1.47Å | 1.48Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
N2 | HN21 | sing | 1.01Å | 1.03Å | |
N2 | HN22 | sing | 1.01Å | 1.03Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C6 | N1 | sing | 1.47Å | 1.47Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
N1 | HN11 | sing | 1.01Å | 1.03Å | |
N1 | HN12 | sing | 1.01Å | 1.03Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C5 | C4 | 109.9° | 109.7° |
O | C5 | C6 | 112.3° | 109.5° |
O | C5 | H5 | 108.1° | 109.5° |
C5 | O | C1 | 116.0° | 107.6° |
C4 | C5 | C6 | 110.7° | 109.4° |
C4 | C5 | H5 | 108.9° | 109.4° |
C5 | C4 | C3 | 112.6° | 109.0° |
C5 | C4 | H41 | 111.0° | 109.6° |
C5 | C4 | H42 | 109.3° | 109.5° |
C6 | C5 | H5 | 106.9° | 109.4° |
C5 | C6 | N1 | 114.8° | 109.5° |
C5 | C6 | H61 | 110.9° | 109.4° |
C5 | C6 | H62 | 108.6° | 109.5° |
O | C1 | O1 | 110.0° | 109.5° |
O | C1 | C2 | 108.6° | 109.7° |
O | C1 | H1 | 108.3° | 109.5° |
O1 | C1 | C2 | 110.6° | 109.4° |
O1 | C1 | H1 | 109.7° | 109.4° |
C1 | O1 | HO1 | 109.9° | 106.8° |
C2 | C1 | H1 | 109.6° | 109.4° |
C1 | C2 | N2 | 112.7° | 109.7° |
C1 | C2 | C3 | 110.5° | 109.0° |
C1 | C2 | H2 | 107.6° | 109.5° |
N2 | C2 | C3 | 110.7° | 109.5° |
N2 | C2 | H2 | 107.2° | 109.6° |
C2 | N2 | HN21 | 110.0° | 106.7° |
C2 | N2 | HN22 | 110.1° | 106.8° |
C3 | C2 | H2 | 108.1° | 109.5° |
C2 | C3 | C4 | 112.0° | 108.7° |
C2 | C3 | H31 | 110.5° | 109.6° |
C2 | C3 | H32 | 110.6° | 109.6° |
HN21 | N2 | HN22 | 105.6° | 106.7° |
C4 | C3 | H31 | 109.0° | 109.6° |
C4 | C3 | H32 | 109.1° | 109.6° |
C3 | C4 | H41 | 110.2° | 109.6° |
C3 | C4 | H42 | 107.8° | 109.6° |
H31 | C3 | H32 | 105.4° | 109.7° |
H41 | C4 | H42 | 105.7° | 109.6° |
N1 | C6 | H61 | 108.3° | 109.4° |
N1 | C6 | H62 | 108.6° | 109.5° |
C6 | N1 | HN11 | 110.1° | 106.8° |
C6 | N1 | HN12 | 110.0° | 106.7° |
H61 | C6 | H62 | 105.1° | 109.4° |
HN11 | N1 | HN12 | 105.6° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C5 | C4 | C6 | 124.6° | 120.1° |
O | C5 | C4 | H5 | 118.2° | 120.1° |
O | C5 | C6 | H5 | 118.4° | 119.9° |
C5 | O | C1 | O1 | 59.7° | 52.3° |
C5 | O | C1 | C2 | 61.5° | 67.7° |
C5 | O | C1 | H1 | 179.6° | 172.2° |
O | C5 | C4 | C3 | 49.3° | 61.3° |
O | C5 | C4 | H41 | 173.3° | 58.6° |
O | C5 | C4 | H42 | 70.5° | 178.9° |
O | C5 | C6 | N1 | 37.9° | 59.8° |
O | C5 | C6 | H61 | 85.2° | 60.1° |
O | C5 | C6 | H62 | 159.8° | 179.9° |
C4 | C5 | C6 | H5 | 118.4° | 119.8° |
C4 | C5 | O | C1 | 57.7° | 67.7° |
C5 | C4 | C3 | C2 | 48.7° | 53.7° |
C5 | C4 | C3 | H41 | 124.5° | 119.9° |
C5 | C4 | C3 | H42 | 120.6° | 119.9° |
C5 | C4 | C3 | H31 | 73.8° | 173.5° |
C5 | C4 | C3 | H32 | 171.5° | 66.0° |
C5 | C4 | H41 | H42 | 118.4° | 120.2° |
C4 | C5 | C6 | N1 | 161.2° | 179.9° |
C4 | C5 | C6 | H61 | 38.0° | 60.2° |
C4 | C5 | C6 | H62 | 77.0° | 59.8° |
C6 | C5 | O | C1 | 178.6° | 172.2° |
C6 | C5 | C4 | C3 | 173.8° | 178.6° |
C6 | C5 | C4 | H41 | 62.1° | 61.5° |
C6 | C5 | C4 | H42 | 54.1° | 58.7° |
C5 | C6 | N1 | H61 | 124.5° | 120.0° |
C5 | C6 | N1 | H62 | 121.9° | 120.1° |
C5 | C6 | H61 | H62 | 117.2° | 120.0° |
C5 | C6 | N1 | HN11 | 56.9° | 180.0° |
C5 | C6 | N1 | HN12 | 59.1° | 66.1° |
H5 | C5 | O | C1 | 61.0° | 52.3° |
H5 | C5 | C4 | C3 | 69.0° | 58.8° |
H5 | C5 | C4 | H41 | 55.1° | 178.7° |
H5 | C5 | C4 | H42 | 171.3° | 61.1° |
H5 | C5 | C6 | N1 | 80.4° | 60.1° |
H5 | C5 | C6 | H61 | 156.5° | 180.0° |
H5 | C5 | C6 | H62 | 41.5° | 60.0° |
O | C1 | O1 | C2 | 120.0° | 120.3° |
O | C1 | O1 | H1 | 119.0° | 119.9° |
O | C1 | C2 | H1 | 118.1° | 120.1° |
O | C1 | O1 | HO1 | 180.0° | 59.7° |
O | C1 | C2 | N2 | 179.5° | 178.8° |
O | C1 | C2 | C3 | 56.1° | 61.3° |
O | C1 | C2 | H2 | 61.6° | 58.5° |
O1 | C1 | C2 | H1 | 121.1° | 119.8° |
O1 | C1 | C2 | N2 | 59.7° | 61.1° |
O1 | C1 | C2 | C3 | 64.7° | 58.8° |
O1 | C1 | C2 | H2 | 177.6° | 178.6° |
C2 | C1 | O1 | HO1 | 60.0° | 180.0° |
C1 | C2 | N2 | C3 | 124.2° | 119.6° |
C1 | C2 | N2 | H2 | 118.1° | 120.3° |
C1 | C2 | C3 | H2 | 117.4° | 119.8° |
C1 | C2 | N2 | HN21 | 60.2° | 60.4° |
C1 | C2 | N2 | HN22 | 176.2° | 174.2° |
C1 | C2 | C3 | C4 | 51.9° | 53.7° |
C1 | C2 | C3 | H31 | 69.8° | 173.5° |
C1 | C2 | C3 | H32 | 173.9° | 66.1° |
H1 | C1 | O1 | HO1 | 61.0° | 60.2° |
H1 | C1 | C2 | N2 | 61.4° | 58.7° |
H1 | C1 | C2 | C3 | 174.2° | 178.6° |
H1 | C1 | C2 | H2 | 56.5° | 61.6° |
N2 | C2 | C3 | H2 | 117.1° | 120.2° |
C2 | N2 | HN21 | HN22 | 118.8° | 113.9° |
N2 | C2 | C3 | C4 | 177.4° | 173.7° |
N2 | C2 | C3 | H31 | 55.7° | 66.5° |
N2 | C2 | C3 | H32 | 60.6° | 53.9° |
C3 | C2 | N2 | HN21 | 175.6° | 180.0° |
C3 | C2 | N2 | HN22 | 59.5° | 66.2° |
C2 | C3 | C4 | H31 | 122.6° | 119.8° |
C2 | C3 | C4 | H32 | 122.7° | 119.8° |
C2 | C3 | H31 | H32 | 119.5° | 120.4° |
C2 | C3 | C4 | H41 | 173.2° | 66.2° |
C2 | C3 | C4 | H42 | 71.9° | 173.6° |
H2 | C2 | N2 | HN21 | 58.0° | 59.9° |
H2 | C2 | N2 | HN22 | 58.1° | 54.0° |
H2 | C2 | C3 | C4 | 65.5° | 66.1° |
H2 | C2 | C3 | H31 | 172.8° | 53.7° |
H2 | C2 | C3 | H32 | 56.4° | 174.1° |
C4 | C3 | H31 | H32 | 117.1° | 120.4° |
C3 | C4 | H41 | H42 | 116.2° | 120.2° |
H31 | C3 | C4 | H41 | 50.7° | 53.6° |
H31 | C3 | C4 | H42 | 165.6° | 66.7° |
H32 | C3 | C4 | H41 | 64.0° | 174.1° |
H32 | C3 | C4 | H42 | 50.9° | 53.8° |
N1 | C6 | H61 | H62 | 115.9° | 120.0° |
C6 | N1 | HN11 | HN12 | 118.7° | 113.8° |
H61 | C6 | N1 | HN11 | 178.6° | 60.0° |
H61 | C6 | N1 | HN12 | 65.4° | 53.8° |
H62 | C6 | N1 | HN11 | 65.0° | 60.0° |
H62 | C6 | N1 | HN12 | 179.0° | 173.8° |