VP9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C7 | doub | 1.21Å | 1.21Å | |
C | O | sing | 1.43Å | 1.42Å | |
O | C1 | sing | 1.36Å | 1.36Å | |
C10 | C9 | sing | 1.53Å | 1.52Å | |
C10 | C11 | sing | 1.51Å | 1.49Å | |
C7 | N | sing | 1.35Å | 1.40Å | |
C7 | C6 | sing | 1.47Å | 1.48Å | |
C9 | C8 | sing | 1.53Å | 1.51Å | |
C8 | N | sing | 1.46Å | 1.45Å | |
C8 | C12 | sing | 1.51Å | 1.51Å | |
C11 | O2 | doub | 1.21Å | 1.22Å | |
C11 | N1 | sing | 1.34Å | 1.36Å | |
N | C13 | sing | 1.34Å | 1.40Å | |
C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
C12 | N1 | sing | 1.34Å | 1.36Å | |
C12 | O3 | doub | 1.21Å | 1.22Å | |
C2 | C3 | doub | 1.37Å | 1.38Å | Aromatic |
C13 | C5 | sing | 1.47Å | 1.48Å | |
C13 | O4 | doub | 1.22Å | 1.21Å | |
C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
C4 | N2 | sing | 1.39Å | 1.36Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
N1 | H3 | sing | 0.97Å | 1.00Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
C9 | H5 | sing | 1.09Å | 1.10Å | |
C9 | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
N2 | H9 | sing | 0.97Å | 1.00Å | |
N2 | H10 | sing | 0.97Å | 1.00Å | |
C | H11 | sing | 1.09Å | 1.10Å | |
C | H12 | sing | 1.09Å | 1.10Å | |
C | H13 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C7 | N | 124.9° | 125.7° |
O1 | C7 | C6 | 129.1° | 125.8° |
C | O | C1 | 117.3° | 116.9° |
O | C | H11 | 109.5° | 109.5° |
O | C | H12 | 109.5° | 109.5° |
O | C | H13 | 109.5° | 109.4° |
O | C1 | C6 | 115.6° | 120.1° |
O | C1 | C2 | 124.2° | 120.2° |
C9 | C10 | C11 | 112.4° | 109.1° |
C10 | C9 | C8 | 109.4° | 108.4° |
C10 | C9 | H5 | 109.5° | 109.5° |
C10 | C9 | H6 | 109.5° | 110.0° |
C9 | C10 | H7 | 108.7° | 109.6° |
C9 | C10 | H8 | 108.7° | 109.5° |
C10 | C11 | O2 | 122.6° | 119.4° |
C10 | C11 | N1 | 116.9° | 121.3° |
C11 | C10 | H7 | 108.8° | 109.7° |
C11 | C10 | H8 | 108.7° | 109.4° |
N | C7 | C6 | 106.0° | 108.5° |
C7 | N | C8 | 124.4° | 124.4° |
C7 | N | C13 | 111.5° | 111.1° |
C7 | C6 | C1 | 131.7° | 134.3° |
C7 | C6 | C5 | 108.3° | 105.9° |
C9 | C8 | N | 107.8° | 109.5° |
C9 | C8 | C12 | 112.4° | 109.2° |
C9 | C8 | H4 | 108.9° | 109.5° |
C8 | C9 | H5 | 109.5° | 109.6° |
C8 | C9 | H6 | 109.5° | 109.6° |
N | C8 | C12 | 109.1° | 109.5° |
C8 | N | C13 | 124.1° | 124.5° |
N | C8 | H4 | 109.7° | 109.5° |
C8 | C12 | N1 | 117.4° | 121.3° |
C8 | C12 | O3 | 121.1° | 119.4° |
C12 | C8 | H4 | 108.9° | 109.5° |
O2 | C11 | N1 | 120.5° | 119.3° |
C11 | N1 | C12 | 126.8° | 122.6° |
C11 | N1 | H3 | 116.5° | 118.7° |
N | C13 | C5 | 106.0° | 108.7° |
N | C13 | O4 | 124.8° | 125.7° |
C6 | C1 | C2 | 120.2° | 119.7° |
C1 | C6 | C5 | 119.9° | 119.8° |
C1 | C2 | C3 | 119.7° | 120.6° |
C1 | C2 | H1 | 120.1° | 119.7° |
C6 | C5 | C13 | 108.1° | 105.8° |
C6 | C5 | C4 | 120.7° | 119.8° |
N1 | C12 | O3 | 121.5° | 119.3° |
C12 | N1 | H3 | 116.6° | 118.7° |
C2 | C3 | C4 | 121.7° | 120.5° |
C3 | C2 | H1 | 120.1° | 119.7° |
C2 | C3 | H2 | 119.2° | 119.8° |
C5 | C13 | O4 | 129.1° | 125.7° |
C13 | C5 | C4 | 131.2° | 134.4° |
C5 | C4 | C3 | 117.7° | 119.6° |
C5 | C4 | N2 | 121.5° | 120.2° |
C3 | C4 | N2 | 120.8° | 120.2° |
C4 | C3 | H2 | 119.1° | 119.7° |
C4 | N2 | H9 | 109.5° | 120.0° |
C4 | N2 | H10 | 109.5° | 120.1° |
H5 | C9 | H6 | 109.5° | 109.6° |
H7 | C10 | H8 | 109.4° | 109.6° |
H9 | N2 | H10 | 109.4° | 119.9° |
H11 | C | H12 | 109.5° | 109.5° |
H11 | C | H13 | 109.5° | 109.4° |
H12 | C | H13 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C7 | N | C6 | 178.3° | 180.0° |
O1 | C7 | N | C8 | 2.0° | 0.0° |
O1 | C7 | N | C13 | 178.1° | 180.0° |
O1 | C7 | C6 | C1 | 2.6° | 0.1° |
O1 | C7 | C6 | C5 | 177.5° | 180.0° |
C | O | C1 | C6 | 176.9° | 180.0° |
C | O | C1 | C2 | 2.8° | 0.2° |
O | C | H11 | H12 | 120.0° | 120.0° |
O | C | H11 | H13 | 120.0° | 120.0° |
O | C | H12 | H13 | 120.0° | 119.9° |
O | C1 | C6 | C7 | 0.5° | 0.2° |
O | C1 | C6 | C2 | 179.7° | 179.8° |
O | C1 | C6 | C5 | 179.4° | 179.7° |
O | C1 | C2 | C3 | 179.9° | 179.8° |
O | C1 | C2 | H1 | 0.1° | 0.2° |
C1 | O | C | H11 | 180.0° | 60.0° |
C1 | O | C | H12 | 60.0° | 60.1° |
C1 | O | C | H13 | 60.0° | 180.0° |
C9 | C10 | C11 | H7 | 120.4° | 120.0° |
C9 | C10 | C11 | H8 | 120.4° | 119.8° |
C10 | C9 | C8 | H5 | 120.0° | 119.6° |
C10 | C9 | C8 | H6 | 120.0° | 120.1° |
C10 | C9 | C8 | N | 172.0° | 175.7° |
C10 | C9 | C8 | C12 | 51.7° | 55.8° |
C9 | C10 | C11 | O2 | 151.3° | 151.0° |
C9 | C10 | C11 | N1 | 29.3° | 29.0° |
C10 | C9 | C8 | H4 | 69.1° | 64.2° |
C10 | C9 | H5 | H6 | 120.0° | 120.8° |
C9 | C10 | H7 | H8 | 118.7° | 120.1° |
C11 | C10 | C9 | C8 | 54.4° | 55.7° |
C10 | C11 | O2 | N1 | 179.4° | 180.0° |
C10 | C11 | N1 | C12 | 0.1° | 0.2° |
C10 | C11 | N1 | H3 | 179.9° | 179.5° |
C11 | C10 | C9 | H5 | 65.6° | 175.4° |
C11 | C10 | C9 | H6 | 174.4° | 64.1° |
C11 | C10 | H7 | H8 | 118.7° | 120.1° |
C7 | N | C8 | C9 | 106.1° | 59.7° |
C7 | N | C8 | C13 | 179.9° | 180.0° |
C7 | N | C8 | C12 | 131.6° | 60.0° |
N | C7 | C6 | C1 | 179.1° | 180.0° |
N | C7 | C6 | C5 | 0.8° | 0.0° |
C7 | N | C13 | C5 | 0.3° | 0.0° |
C7 | N | C13 | O4 | 179.1° | 179.9° |
C7 | N | C8 | H4 | 12.4° | 179.9° |
C6 | C7 | N | C8 | 179.6° | 180.0° |
C6 | C7 | N | C13 | 0.3° | 0.1° |
C7 | C6 | C1 | C5 | 179.9° | 179.9° |
C7 | C6 | C1 | C2 | 179.8° | 180.0° |
C7 | C6 | C5 | C13 | 0.9° | 0.0° |
C7 | C6 | C5 | C4 | 178.9° | 180.0° |
C9 | C8 | N | C12 | 122.3° | 119.7° |
C9 | C8 | N | H4 | 118.5° | 120.2° |
C9 | C8 | C12 | H4 | 120.8° | 119.9° |
C9 | C8 | N | C13 | 73.8° | 120.3° |
C9 | C8 | C12 | N1 | 24.6° | 29.1° |
C9 | C8 | C12 | O3 | 158.1° | 150.9° |
C8 | C9 | H5 | H6 | 120.1° | 120.4° |
C8 | C9 | C10 | H7 | 66.1° | 64.3° |
C8 | C9 | C10 | H8 | 174.8° | 175.5° |
N | C8 | C12 | H4 | 119.6° | 120.1° |
N | C8 | C12 | N1 | 144.2° | 149.0° |
N | C8 | C12 | O3 | 38.5° | 31.0° |
C8 | N | C13 | C5 | 179.8° | 180.0° |
C8 | N | C13 | O4 | 0.9° | 0.1° |
N | C8 | C9 | H5 | 52.0° | 64.8° |
N | C8 | C9 | H6 | 68.0° | 55.6° |
C8 | C12 | N1 | C11 | 2.4° | 0.2° |
C12 | C8 | N | C13 | 48.5° | 120.0° |
C8 | C12 | N1 | O3 | 177.3° | 180.0° |
C8 | C12 | N1 | H3 | 177.6° | 179.5° |
C12 | C8 | C9 | H5 | 68.3° | 175.3° |
C12 | C8 | C9 | H6 | 171.7° | 64.3° |
O2 | C11 | N1 | C12 | 179.5° | 179.8° |
O2 | C11 | N1 | H3 | 0.5° | 0.6° |
O2 | C11 | C10 | H7 | 88.3° | 89.0° |
O2 | C11 | C10 | H8 | 30.8° | 31.2° |
C11 | N1 | C12 | H3 | 180.0° | 179.6° |
C11 | N1 | C12 | O3 | 174.9° | 179.8° |
N1 | C11 | C10 | H7 | 91.1° | 91.0° |
N1 | C11 | C10 | H8 | 149.8° | 148.8° |
N | C13 | C5 | C6 | 0.8° | 0.0° |
N | C13 | C5 | O4 | 179.3° | 179.9° |
N | C13 | C5 | C4 | 179.1° | 179.9° |
C13 | N | C8 | H4 | 167.7° | 0.1° |
C6 | C1 | C2 | C3 | 0.5° | 0.0° |
C1 | C6 | C5 | C13 | 179.0° | 180.0° |
C1 | C6 | C5 | C4 | 1.1° | 0.1° |
C6 | C1 | C2 | H1 | 179.6° | 180.0° |
C2 | C1 | C6 | C5 | 0.3° | 0.1° |
C1 | C2 | C3 | H1 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.4° | 0.0° |
C1 | C2 | C3 | H2 | 179.6° | 179.9° |
C6 | C5 | C13 | C4 | 179.9° | 180.0° |
C6 | C5 | C13 | O4 | 178.5° | 179.9° |
C6 | C5 | C4 | C3 | 1.2° | 0.1° |
C6 | C5 | C4 | N2 | 177.3° | 179.9° |
N1 | C12 | C8 | H4 | 96.2° | 90.9° |
O3 | C12 | N1 | H3 | 5.1° | 0.5° |
O3 | C12 | C8 | H4 | 81.1° | 89.1° |
C2 | C3 | C4 | C5 | 0.4° | 0.0° |
C2 | C3 | C4 | H2 | 180.0° | 179.9° |
C2 | C3 | C4 | N2 | 178.1° | 180.0° |
C13 | C5 | C4 | C3 | 179.0° | 180.0° |
C13 | C5 | C4 | N2 | 2.5° | 0.0° |
O4 | C13 | C5 | C4 | 1.6° | 0.0° |
C5 | C4 | C3 | N2 | 178.5° | 180.0° |
C5 | C4 | C3 | H2 | 179.6° | 179.9° |
C5 | C4 | N2 | H9 | 180.0° | 180.0° |
C5 | C4 | N2 | H10 | 60.0° | 0.0° |
C4 | C3 | C2 | H1 | 179.6° | 180.0° |
C3 | C4 | N2 | H9 | 1.5° | 0.0° |
C3 | C4 | N2 | H10 | 118.4° | 180.0° |
N2 | C4 | C3 | H2 | 1.9° | 0.1° |
C4 | N2 | H9 | H10 | 120.0° | 180.0° |
H1 | C2 | C3 | H2 | 0.4° | 0.0° |
H4 | C8 | C9 | H5 | 170.9° | 55.4° |
H4 | C8 | C9 | H6 | 50.9° | 175.8° |
H5 | C9 | C10 | H7 | 173.9° | 55.3° |
H5 | C9 | C10 | H8 | 54.8° | 64.9° |
H6 | C9 | C10 | H7 | 53.9° | 175.8° |
H6 | C9 | C10 | H8 | 65.2° | 55.6° |
H11 | C | H12 | H13 | 120.0° | 120.0° |