VOG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O7 | C7 | sing | 1.43Å | 1.38Å | |
C7 | C1 | sing | 1.53Å | 1.50Å | |
O3 | C3 | sing | 1.43Å | 1.38Å | |
C2 | O2 | sing | 1.43Å | 1.39Å | |
C2 | C3 | sing | 1.53Å | 1.49Å | |
C2 | C1 | sing | 1.53Å | 1.50Å | |
C4 | C3 | sing | 1.53Å | 1.51Å | |
C4 | O4 | sing | 1.43Å | 1.39Å | |
C4 | C5 | sing | 1.53Å | 1.50Å | |
C1 | C6 | sing | 1.53Å | 1.50Å | |
C1 | O1 | sing | 1.43Å | 1.39Å | |
C6 | C5 | sing | 1.53Å | 1.50Å | |
C5 | N | sing | 1.47Å | 1.46Å | |
N | C8 | sing | 1.47Å | 1.52Å | |
C10 | C8 | sing | 1.53Å | 1.50Å | |
C10 | O10 | sing | 1.43Å | 1.38Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C9 | O9 | sing | 1.43Å | 1.38Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | H3 | sing | 0.97Å | 0.95Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
O3 | H5 | sing | 0.97Å | 0.95Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
O4 | H7 | sing | 0.97Å | 0.95Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
O7 | H13 | sing | 0.97Å | 0.95Å | |
N | H14 | sing | 1.01Å | 1.00Å | |
C8 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å | |
O9 | H19 | sing | 0.97Å | 0.95Å | |
C10 | H20 | sing | 1.09Å | 1.10Å | |
C10 | H21 | sing | 1.09Å | 1.10Å | |
O10 | H22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O7 | C7 | C1 | 116.2° | 109.5° |
O7 | C7 | H11 | 107.8° | 109.4° |
O7 | C7 | H12 | 107.8° | 109.5° |
C7 | O7 | H13 | 109.5° | 114.0° |
C7 | C1 | C2 | 106.4° | 109.5° |
C7 | C1 | C6 | 109.5° | 109.5° |
C7 | C1 | O1 | 109.9° | 109.4° |
C1 | C7 | H11 | 107.8° | 109.4° |
C1 | C7 | H12 | 107.8° | 109.5° |
O3 | C3 | C2 | 108.3° | 109.5° |
O3 | C3 | C4 | 111.7° | 109.4° |
O3 | C3 | H4 | 110.3° | 109.5° |
C3 | O3 | H5 | 109.5° | 114.0° |
O2 | C2 | C3 | 109.2° | 109.4° |
O2 | C2 | C1 | 109.3° | 109.5° |
O2 | C2 | H2 | 109.6° | 109.4° |
C2 | O2 | H3 | 109.5° | 114.0° |
C3 | C2 | C1 | 112.3° | 109.5° |
C2 | C3 | C4 | 109.2° | 109.5° |
C3 | C2 | H2 | 108.3° | 109.5° |
C2 | C3 | H4 | 108.7° | 109.5° |
C2 | C1 | C6 | 113.2° | 109.5° |
C2 | C1 | O1 | 108.7° | 109.4° |
C1 | C2 | H2 | 108.2° | 109.5° |
C3 | C4 | O4 | 110.7° | 109.5° |
C3 | C4 | C5 | 111.3° | 109.5° |
C4 | C3 | H4 | 108.6° | 109.4° |
C3 | C4 | H6 | 107.9° | 109.5° |
O4 | C4 | C5 | 109.3° | 109.5° |
O4 | C4 | H6 | 109.5° | 109.4° |
C4 | O4 | H7 | 109.5° | 114.1° |
C4 | C5 | C6 | 110.9° | 109.5° |
C4 | C5 | N | 109.4° | 109.4° |
C5 | C4 | H6 | 108.0° | 109.5° |
C4 | C5 | H8 | 109.0° | 109.5° |
C6 | C1 | O1 | 109.1° | 109.5° |
C1 | C6 | C5 | 113.7° | 109.5° |
C1 | C6 | H9 | 108.4° | 109.4° |
C1 | C6 | H10 | 108.4° | 109.5° |
C1 | O1 | H1 | 109.5° | 114.0° |
C6 | C5 | N | 109.1° | 109.5° |
C6 | C5 | H8 | 109.0° | 109.4° |
C5 | C6 | H9 | 108.4° | 109.5° |
C5 | C6 | H10 | 108.4° | 109.5° |
C5 | N | C8 | 115.2° | 111.0° |
N | C5 | H8 | 109.4° | 109.5° |
C5 | N | H14 | 108.0° | 111.0° |
N | C8 | C10 | 115.9° | 109.5° |
N | C8 | C9 | 114.3° | 109.5° |
C8 | N | H14 | 108.0° | 111.1° |
N | C8 | H16 | 103.6° | 109.5° |
C8 | C10 | O10 | 115.2° | 109.5° |
C10 | C8 | C9 | 113.3° | 109.5° |
C10 | C8 | H16 | 103.8° | 109.5° |
C8 | C10 | H20 | 108.0° | 109.4° |
C8 | C10 | H21 | 108.0° | 109.4° |
O10 | C10 | H20 | 108.0° | 109.5° |
O10 | C10 | H21 | 108.0° | 109.5° |
C10 | O10 | H22 | 109.5° | 114.0° |
C8 | C9 | O9 | 115.5° | 109.5° |
C9 | C8 | H16 | 103.7° | 109.4° |
C8 | C9 | H17 | 107.9° | 109.5° |
C8 | C9 | H18 | 107.9° | 109.5° |
O9 | C9 | H17 | 107.9° | 109.5° |
O9 | C9 | H18 | 108.0° | 109.4° |
C9 | O9 | H19 | 109.5° | 114.0° |
H9 | C6 | H10 | 109.5° | 109.4° |
H11 | C7 | H12 | 109.5° | 109.5° |
H17 | C9 | H18 | 109.5° | 109.5° |
H20 | C10 | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O7 | C7 | C1 | H11 | 121.0° | 119.9° |
O7 | C7 | C1 | H12 | 121.0° | 120.0° |
O7 | C7 | C1 | C2 | 57.3° | 55.0° |
O7 | C7 | C1 | C6 | 65.4° | 175.0° |
O7 | C7 | C1 | O1 | 174.7° | 65.0° |
O7 | C7 | H11 | H12 | 117.0° | 120.0° |
C7 | C1 | C2 | O2 | 68.0° | 60.0° |
C7 | C1 | C2 | C3 | 170.6° | 179.9° |
C7 | C1 | C2 | C6 | 120.4° | 120.0° |
C7 | C1 | C2 | O1 | 118.3° | 120.0° |
C7 | C1 | C6 | O1 | 120.3° | 120.0° |
C7 | C1 | C6 | C5 | 165.1° | 180.0° |
C7 | C1 | O1 | H1 | 180.0° | 59.9° |
C7 | C1 | C2 | H2 | 51.2° | 60.0° |
C7 | C1 | C6 | H9 | 74.2° | 59.9° |
C7 | C1 | C6 | H10 | 44.5° | 60.0° |
C1 | C7 | H11 | H12 | 116.9° | 120.0° |
C1 | C7 | O7 | H13 | 180.0° | 180.0° |
O3 | C3 | C2 | O2 | 60.2° | 60.0° |
O3 | C3 | C2 | C4 | 121.8° | 120.0° |
O3 | C3 | C2 | H4 | 119.8° | 120.0° |
O3 | C3 | C2 | C1 | 178.5° | 180.0° |
O3 | C3 | C4 | H4 | 121.9° | 120.0° |
O3 | C3 | C4 | O4 | 58.1° | 60.0° |
O3 | C3 | C4 | C5 | 179.9° | 180.0° |
O3 | C3 | C2 | H2 | 59.1° | 59.9° |
O3 | C3 | C4 | H6 | 61.7° | 60.0° |
O2 | C2 | C3 | C1 | 121.4° | 120.0° |
O2 | C2 | C3 | H2 | 119.3° | 120.0° |
O2 | C2 | C1 | H2 | 119.3° | 120.0° |
O2 | C2 | C3 | C4 | 178.0° | 180.0° |
O2 | C2 | C1 | C6 | 171.6° | 180.0° |
O2 | C2 | C1 | O1 | 50.3° | 60.0° |
O2 | C2 | C3 | H4 | 59.7° | 60.0° |
C3 | C2 | C1 | H2 | 119.4° | 120.1° |
C2 | C3 | C4 | H4 | 118.4° | 120.1° |
C2 | C3 | C4 | O4 | 177.9° | 179.9° |
C2 | C3 | C4 | C5 | 60.4° | 60.0° |
C3 | C2 | C1 | C6 | 50.3° | 60.0° |
C3 | C2 | C1 | O1 | 71.1° | 60.0° |
C3 | C2 | O2 | H3 | 180.0° | 60.0° |
C2 | C3 | O3 | H5 | 180.0° | 180.0° |
C2 | C3 | C4 | H6 | 58.0° | 60.0° |
C1 | C2 | C3 | C4 | 56.6° | 60.0° |
C2 | C1 | C6 | O1 | 121.1° | 120.0° |
C2 | C1 | C6 | C5 | 46.6° | 60.0° |
C2 | C1 | O1 | H1 | 64.0° | 60.1° |
C1 | C2 | O2 | H3 | 56.8° | 180.0° |
C1 | C2 | C3 | H4 | 61.7° | 60.0° |
C2 | C1 | C6 | H9 | 167.2° | 180.0° |
C2 | C1 | C6 | H10 | 74.0° | 60.0° |
C2 | C1 | C7 | H11 | 63.7° | 65.0° |
C2 | C1 | C7 | H12 | 178.2° | 175.0° |
C3 | C4 | O4 | C5 | 122.9° | 120.0° |
C3 | C4 | O4 | H6 | 118.9° | 120.0° |
C3 | C4 | C5 | H6 | 118.3° | 120.0° |
C3 | C4 | C5 | C6 | 56.9° | 60.0° |
C3 | C4 | C5 | N | 63.5° | 60.1° |
C4 | C3 | C2 | H2 | 62.7° | 60.0° |
C4 | C3 | O3 | H5 | 59.7° | 60.0° |
C3 | C4 | O4 | H7 | 180.0° | 60.0° |
C3 | C4 | C5 | H8 | 176.8° | 180.0° |
O4 | C4 | C5 | H6 | 119.1° | 120.0° |
O4 | C4 | C5 | C6 | 179.4° | 180.0° |
O4 | C4 | C5 | N | 59.0° | 60.0° |
O4 | C4 | C3 | H4 | 63.7° | 60.0° |
O4 | C4 | C5 | H8 | 60.6° | 60.0° |
C4 | C5 | C6 | C1 | 49.6° | 60.0° |
C4 | C5 | C6 | N | 120.6° | 120.0° |
C4 | C5 | C6 | H8 | 120.0° | 120.0° |
C4 | C5 | N | H8 | 119.3° | 120.0° |
C4 | C5 | N | C8 | 168.3° | 153.2° |
C5 | C4 | C3 | H4 | 58.0° | 60.1° |
C5 | C4 | O4 | H7 | 57.1° | 180.0° |
C4 | C5 | C6 | H9 | 170.2° | 180.0° |
C4 | C5 | C6 | H10 | 71.1° | 60.0° |
C4 | C5 | N | H14 | 47.5° | 29.2° |
C1 | C6 | C5 | H9 | 120.6° | 120.0° |
C1 | C6 | C5 | H10 | 120.6° | 120.0° |
C1 | C6 | C5 | N | 71.0° | 60.0° |
C6 | C1 | O1 | H1 | 59.9° | 180.0° |
C6 | C1 | C2 | H2 | 69.1° | 60.0° |
C1 | C6 | C5 | H8 | 169.5° | 180.0° |
C1 | C6 | H9 | H10 | 118.1° | 120.0° |
C6 | C1 | C7 | H11 | 173.6° | 55.1° |
C6 | C1 | C7 | H12 | 55.5° | 65.0° |
O1 | C1 | C6 | C5 | 74.5° | 60.0° |
O1 | C1 | C2 | H2 | 169.5° | 180.0° |
O1 | C1 | C6 | H9 | 46.1° | 60.1° |
O1 | C1 | C6 | H10 | 164.9° | 180.0° |
O1 | C1 | C7 | H11 | 53.8° | 175.1° |
O1 | C1 | C7 | H12 | 64.3° | 55.0° |
C6 | C5 | N | H8 | 119.1° | 120.0° |
C6 | C5 | N | C8 | 70.1° | 86.7° |
C6 | C5 | C4 | H6 | 61.5° | 60.0° |
C5 | C6 | H9 | H10 | 118.0° | 120.0° |
C6 | C5 | N | H14 | 169.0° | 149.3° |
C5 | N | C8 | H14 | 120.8° | 124.0° |
C5 | N | C8 | C10 | 52.3° | 154.0° |
C5 | N | C8 | C9 | 173.0° | 86.1° |
N | C5 | C4 | H6 | 178.1° | 180.0° |
N | C5 | C6 | H9 | 49.6° | 60.0° |
N | C5 | C6 | H10 | 168.4° | 180.0° |
C5 | N | C8 | H16 | 60.8° | 33.9° |
N | C8 | C10 | C9 | 135.2° | 120.0° |
N | C8 | C10 | H16 | 113.0° | 120.1° |
N | C8 | C10 | O10 | 66.1° | 65.0° |
N | C8 | C9 | H16 | 112.2° | 120.0° |
N | C8 | C9 | O9 | 51.6° | 63.3° |
C8 | N | C5 | H8 | 49.0° | 33.3° |
N | C8 | C9 | H17 | 172.5° | 176.6° |
N | C8 | C9 | H18 | 69.3° | 56.6° |
N | C8 | C10 | H20 | 173.0° | 55.1° |
N | C8 | C10 | H21 | 54.7° | 175.0° |
C8 | C10 | O10 | H20 | 120.8° | 120.0° |
C8 | C10 | O10 | H21 | 120.8° | 120.0° |
C10 | C8 | C9 | H16 | 112.0° | 120.0° |
C10 | C8 | C9 | O9 | 172.5° | 56.7° |
C10 | C8 | N | H14 | 68.5° | 82.0° |
C10 | C8 | C9 | H17 | 51.6° | 63.4° |
C10 | C8 | C9 | H18 | 66.6° | 176.6° |
C8 | C10 | H20 | H21 | 117.4° | 120.0° |
C8 | C10 | O10 | H22 | 180.0° | 180.0° |
O10 | C10 | C8 | C9 | 69.0° | 55.0° |
O10 | C10 | C8 | H16 | 179.1° | 175.0° |
O10 | C10 | H20 | H21 | 117.4° | 120.1° |
C8 | C9 | O9 | H17 | 120.9° | 120.0° |
C8 | C9 | O9 | H18 | 120.9° | 120.0° |
C9 | C8 | N | H14 | 66.2° | 37.9° |
C8 | C9 | H17 | H18 | 117.2° | 120.0° |
C8 | C9 | O9 | H19 | 180.0° | 180.0° |
C9 | C8 | C10 | H20 | 51.8° | 175.0° |
C9 | C8 | C10 | H21 | 170.1° | 65.0° |
O9 | C9 | C8 | H16 | 60.5° | 176.7° |
O9 | C9 | H17 | H18 | 117.3° | 120.0° |
H2 | C2 | O2 | H3 | 61.6° | 60.0° |
H2 | C2 | C3 | H4 | 179.0° | 180.0° |
H4 | C3 | O3 | H5 | 61.1° | 59.9° |
H4 | C3 | C4 | H6 | 176.4° | 180.0° |
H6 | C4 | O4 | H7 | 61.1° | 60.0° |
H6 | C4 | C5 | H8 | 58.5° | 60.0° |
H8 | C5 | C6 | H9 | 69.8° | 60.0° |
H8 | C5 | C6 | H10 | 48.9° | 60.0° |
H8 | C5 | N | H14 | 71.9° | 90.7° |
H11 | C7 | O7 | H13 | 59.0° | 60.0° |
H12 | C7 | O7 | H13 | 59.0° | 60.0° |
H14 | N | C8 | H16 | 178.4° | 157.9° |
H16 | C8 | C9 | H17 | 60.3° | 56.6° |
H16 | C8 | C9 | H18 | 178.6° | 63.4° |
H16 | C8 | C10 | H20 | 60.1° | 65.0° |
H16 | C8 | C10 | H21 | 58.2° | 55.0° |
H17 | C9 | O9 | H19 | 59.1° | 59.9° |
H18 | C9 | O9 | H19 | 59.1° | 60.0° |
H20 | C10 | O10 | H22 | 59.2° | 60.0° |
H21 | C10 | O10 | H22 | 59.2° | 60.0° |