8KB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | O1 | sing | 1.44Å | 1.43Å | |
C4 | C | sing | 1.51Å | 1.51Å | |
O1 | C3 | sing | 1.36Å | 1.42Å | |
O | C | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.54Å | 1.51Å | |
C | C1 | sing | 1.53Å | 1.55Å | |
C2 | N | sing | 1.45Å | 1.46Å | |
C1 | N | sing | 1.48Å | 1.46Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
O | H1 | sing | 0.97Å | 0.95Å | |
C | H | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
N | H11 | sing | 1.01Å | 1.00Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C4 | C | 114.8° | 107.9° |
C4 | O1 | C3 | 117.4° | 117.4° |
O1 | C4 | H9 | 108.1° | 109.8° |
O1 | C4 | H10 | 108.1° | 109.8° |
C4 | C | O | 108.9° | 109.0° |
C4 | C | C1 | 116.8° | 111.8° |
C | C4 | H9 | 108.1° | 109.8° |
C | C4 | H10 | 108.1° | 109.7° |
C4 | C | H | 108.8° | 109.1° |
O1 | C3 | C2 | 112.5° | 111.5° |
O1 | C3 | H7 | 108.7° | 109.1° |
O1 | C3 | H8 | 108.7° | 109.1° |
O | C | C1 | 104.2° | 109.0° |
C | O | H1 | 109.5° | 114.0° |
O | C | H | 109.8° | 108.9° |
C3 | C2 | N | 113.3° | 109.1° |
C2 | C3 | H7 | 108.7° | 109.1° |
C2 | C3 | H8 | 108.7° | 109.1° |
C3 | C2 | H5 | 108.5° | 109.5° |
C3 | C2 | H6 | 108.5° | 109.6° |
C | C1 | N | 117.2° | 112.1° |
C1 | C | H | 108.2° | 108.9° |
C | C1 | H2 | 107.5° | 108.9° |
C | C1 | H3 | 107.5° | 109.0° |
C2 | N | C1 | 116.9° | 114.2° |
N | C2 | H5 | 108.5° | 109.5° |
N | C2 | H6 | 108.5° | 109.5° |
C2 | N | H11 | 107.6° | 111.0° |
C1 | N | H11 | 107.6° | 111.0° |
N | C1 | H2 | 107.5° | 108.9° |
N | C1 | H3 | 107.5° | 109.0° |
H9 | C4 | H10 | 109.5° | 109.8° |
H7 | C3 | H8 | 109.5° | 109.0° |
H5 | C2 | H6 | 109.4° | 109.6° |
H2 | C1 | H3 | 109.5° | 108.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C4 | C | H9 | 120.8° | 119.6° |
O1 | C4 | C | H10 | 120.8° | 119.6° |
O1 | C4 | C | O | 105.3° | 147.4° |
C4 | O1 | C3 | C2 | 94.6° | 61.3° |
O1 | C4 | C | C1 | 12.2° | 91.9° |
O1 | C4 | H9 | H10 | 117.5° | 120.8° |
O1 | C4 | C | H | 135.0° | 28.6° |
C4 | O1 | C3 | H7 | 145.0° | 178.1° |
C4 | O1 | C3 | H8 | 25.9° | 59.2° |
C | C4 | O1 | C3 | 61.4° | 80.7° |
C4 | C | O | C1 | 125.3° | 122.3° |
C4 | C | O | H | 119.0° | 118.9° |
C4 | C | C1 | H | 123.1° | 120.6° |
C4 | C | C1 | N | 69.7° | 41.2° |
C | C4 | H9 | H10 | 117.6° | 120.7° |
C4 | C | O | H1 | 180.0° | 59.9° |
C4 | C | C1 | H2 | 169.2° | 79.5° |
C4 | C | C1 | H3 | 51.4° | 161.9° |
O1 | C3 | C2 | H7 | 120.4° | 120.5° |
O1 | C3 | C2 | H8 | 120.5° | 120.5° |
O1 | C3 | C2 | N | 67.3° | 75.9° |
C3 | O1 | C4 | H9 | 59.4° | 159.7° |
C3 | O1 | C4 | H10 | 177.8° | 38.8° |
O1 | C3 | H7 | H8 | 118.6° | 119.0° |
O1 | C3 | C2 | H5 | 53.3° | 43.9° |
O1 | C3 | C2 | H6 | 172.2° | 164.2° |
O | C | C1 | H | 116.8° | 118.8° |
O | C | C1 | N | 50.4° | 161.8° |
O | C | C4 | H9 | 15.5° | 27.8° |
O | C | C4 | H10 | 133.9° | 93.0° |
O | C | C1 | H2 | 70.7° | 41.2° |
O | C | C1 | H3 | 171.5° | 77.5° |
C3 | C2 | N | H5 | 120.6° | 119.9° |
C3 | C2 | N | H6 | 120.6° | 119.9° |
C3 | C2 | N | C1 | 56.8° | 93.5° |
C2 | C3 | H7 | H8 | 118.6° | 119.0° |
C3 | C2 | H5 | H6 | 118.2° | 120.2° |
C3 | C2 | N | H11 | 177.9° | 140.1° |
C | C1 | N | C2 | 74.6° | 41.8° |
C | C1 | N | H2 | 121.1° | 120.6° |
C | C1 | N | H3 | 121.1° | 120.7° |
C1 | C | C4 | H9 | 133.0° | 148.4° |
C1 | C | C4 | H10 | 108.6° | 27.6° |
C1 | C | O | H1 | 54.7° | 177.8° |
C | C1 | N | H11 | 164.3° | 168.2° |
C | C1 | H2 | H3 | 116.5° | 118.7° |
C2 | N | C1 | H11 | 121.1° | 126.4° |
N | C2 | C3 | H7 | 172.3° | 163.6° |
N | C2 | C3 | H8 | 53.2° | 44.6° |
N | C2 | H5 | H6 | 118.2° | 120.2° |
C2 | N | C1 | H2 | 164.2° | 162.4° |
C2 | N | C1 | H3 | 46.5° | 78.9° |
N | C1 | C | H | 167.2° | 79.4° |
C1 | N | C2 | H5 | 63.8° | 26.4° |
C1 | N | C2 | H6 | 177.4° | 146.6° |
N | C1 | H2 | H3 | 116.5° | 118.7° |
H9 | C4 | C | H | 104.2° | 91.0° |
H10 | C4 | C | H | 14.2° | 148.2° |
H1 | O | C | H | 60.9° | 59.0° |
H | C | C1 | H2 | 46.1° | 159.9° |
H | C | C1 | H3 | 71.6° | 41.3° |
H7 | C3 | C2 | H5 | 67.1° | 76.6° |
H7 | C3 | C2 | H6 | 51.7° | 43.7° |
H8 | C3 | C2 | H5 | 173.8° | 164.4° |
H8 | C3 | C2 | H6 | 67.4° | 75.3° |
H5 | C2 | N | H11 | 57.3° | 100.0° |
H6 | C2 | N | H11 | 61.5° | 20.2° |
H11 | N | C1 | H2 | 43.2° | 71.1° |
H11 | N | C1 | H3 | 74.6° | 47.5° |