VO8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.53Å | 1.31Å | |
O2 | C4 | doub | 1.22Å | 1.23Å | |
C6 | O3 | sing | 1.43Å | 1.42Å | |
C6 | C5 | sing | 1.53Å | 1.49Å | |
C7 | O3 | sing | 1.36Å | 1.36Å | |
C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C2 | C3 | sing | 1.51Å | 1.34Å | |
C11 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
C4 | N2 | sing | 1.35Å | 1.38Å | |
C4 | N1 | sing | 1.35Å | 1.39Å | |
C5 | N2 | sing | 1.46Å | 1.46Å | |
C12 | O4 | sing | 1.36Å | 1.39Å | |
N2 | C24 | sing | 1.39Å | 1.38Å | |
C3 | N1 | sing | 1.35Å | 1.39Å | |
C3 | O1 | doub | 1.21Å | 1.22Å | |
N1 | C29 | sing | 1.40Å | 1.41Å | |
O4 | C13 | sing | 1.36Å | 1.38Å | |
C24 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
C24 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
C13 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
C23 | C17 | sing | 1.42Å | 1.41Å | Aromatic |
C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
C22 | C21 | sing | 1.36Å | 1.36Å | Aromatic |
C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
C21 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
C19 | C20 | sing | 1.43Å | 1.44Å | |
C20 | N3 | trip | 1.14Å | 1.15Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C1 | H22 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
C15 | H13 | sing | 1.08Å | 1.08Å | |
C16 | H14 | sing | 1.08Å | 1.08Å | |
C18 | H15 | sing | 1.08Å | 1.08Å | |
C21 | H16 | sing | 1.08Å | 1.08Å | |
C22 | H17 | sing | 1.08Å | 1.08Å | |
C25 | H18 | sing | 1.08Å | 1.08Å | |
C26 | H19 | sing | 1.08Å | 1.08Å | |
C27 | H20 | sing | 1.08Å | 1.08Å | |
C28 | H21 | sing | 1.08Å | 1.08Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C9 | C10 | 120.1° | 120.1° |
C9 | C8 | C7 | 119.9° | 120.0° |
C9 | C8 | H8 | 120.0° | 120.0° |
C8 | C9 | H9 | 119.9° | 120.0° |
C9 | C10 | C11 | 120.2° | 120.2° |
C9 | C10 | H10 | 119.9° | 119.9° |
C10 | C9 | H9 | 119.9° | 119.9° |
C8 | C7 | O3 | 125.3° | 120.1° |
C8 | C7 | C12 | 119.4° | 119.8° |
C7 | C8 | H8 | 120.0° | 120.0° |
C10 | C11 | C12 | 119.9° | 120.0° |
C11 | C10 | H10 | 119.9° | 119.9° |
C10 | C11 | H11 | 120.0° | 119.9° |
C1 | C2 | C3 | 124.0° | 109.5° |
C2 | C1 | H22 | 109.5° | 109.4° |
C2 | C1 | H1 | 109.5° | 109.4° |
C1 | C2 | H3 | 105.7° | 109.5° |
C2 | C1 | H2 | 109.5° | 109.5° |
C1 | C2 | H23 | 105.7° | 109.4° |
O2 | C4 | N2 | 126.4° | 125.2° |
O2 | C4 | N1 | 127.6° | 125.1° |
O3 | C6 | C5 | 107.0° | 109.5° |
C6 | O3 | C7 | 117.5° | 117.0° |
O3 | C6 | H7 | 110.1° | 109.5° |
O3 | C6 | H6 | 110.1° | 109.5° |
C6 | C5 | N2 | 111.2° | 109.5° |
C6 | C5 | H5 | 109.0° | 109.5° |
C6 | C5 | H4 | 109.0° | 109.5° |
C5 | C6 | H7 | 110.1° | 109.5° |
C5 | C6 | H6 | 110.1° | 109.5° |
O3 | C7 | C12 | 115.3° | 120.1° |
C7 | C12 | C11 | 120.4° | 119.9° |
C7 | C12 | O4 | 119.0° | 120.1° |
C2 | C3 | N1 | 122.9° | 120.0° |
C2 | C3 | O1 | 118.8° | 120.0° |
C3 | C2 | H3 | 105.7° | 109.5° |
C3 | C2 | H23 | 105.8° | 109.5° |
C11 | C12 | O4 | 120.6° | 120.1° |
C12 | C11 | H11 | 120.0° | 120.1° |
N2 | C4 | N1 | 106.0° | 109.7° |
C4 | N2 | C5 | 122.6° | 125.8° |
C4 | N2 | C24 | 110.9° | 108.4° |
C4 | N1 | C3 | 125.0° | 125.9° |
C4 | N1 | C29 | 108.9° | 108.3° |
C5 | N2 | C24 | 126.5° | 125.8° |
N2 | C5 | H5 | 109.0° | 109.5° |
N2 | C5 | H4 | 109.0° | 109.4° |
C12 | O4 | C13 | 116.9° | 118.0° |
N2 | C24 | C29 | 107.1° | 106.8° |
N2 | C24 | C25 | 131.1° | 133.3° |
N1 | C3 | O1 | 118.3° | 120.0° |
C3 | N1 | C29 | 126.0° | 125.8° |
N1 | C29 | C24 | 107.1° | 106.7° |
N1 | C29 | C28 | 131.4° | 133.3° |
O4 | C13 | C14 | 122.8° | 120.3° |
O4 | C13 | C23 | 116.4° | 120.2° |
C29 | C24 | C25 | 121.8° | 119.9° |
C24 | C29 | C28 | 121.6° | 119.9° |
C24 | C25 | C26 | 116.5° | 119.9° |
C24 | C25 | H18 | 121.8° | 120.1° |
C29 | C28 | C27 | 116.7° | 119.8° |
C29 | C28 | H21 | 121.7° | 120.1° |
C13 | C14 | C15 | 120.1° | 120.8° |
C14 | C13 | C23 | 120.8° | 119.5° |
C13 | C14 | H12 | 120.0° | 119.6° |
C14 | C15 | C16 | 120.9° | 121.0° |
C15 | C14 | H12 | 119.9° | 119.6° |
C14 | C15 | H13 | 119.5° | 119.4° |
C13 | C23 | C22 | 122.0° | 121.0° |
C13 | C23 | C17 | 119.1° | 119.3° |
C25 | C26 | C27 | 121.7° | 120.2° |
C26 | C25 | H18 | 121.7° | 120.0° |
C25 | C26 | H19 | 119.1° | 119.9° |
C15 | C16 | C17 | 120.5° | 119.9° |
C16 | C15 | H13 | 119.5° | 119.5° |
C15 | C16 | H14 | 119.7° | 120.0° |
C28 | C27 | C26 | 121.7° | 120.3° |
C28 | C27 | H20 | 119.1° | 119.8° |
C27 | C28 | H21 | 121.6° | 120.1° |
C22 | C23 | C17 | 118.9° | 119.7° |
C23 | C22 | C21 | 120.6° | 120.0° |
C23 | C22 | H17 | 119.7° | 120.0° |
C23 | C17 | C16 | 118.6° | 119.5° |
C23 | C17 | C18 | 119.1° | 119.5° |
C27 | C26 | H19 | 119.2° | 119.9° |
C26 | C27 | H20 | 119.1° | 119.9° |
C22 | C21 | C19 | 121.2° | 120.8° |
C22 | C21 | H16 | 119.4° | 119.6° |
C21 | C22 | H17 | 119.7° | 120.0° |
C16 | C17 | C18 | 122.3° | 121.0° |
C17 | C16 | H14 | 119.7° | 120.1° |
C17 | C18 | C19 | 120.8° | 119.5° |
C17 | C18 | H15 | 119.6° | 120.2° |
C21 | C19 | C18 | 119.5° | 120.5° |
C21 | C19 | C20 | 120.3° | 119.8° |
C19 | C21 | H16 | 119.4° | 119.6° |
C18 | C19 | C20 | 120.2° | 119.7° |
C19 | C18 | H15 | 119.6° | 120.3° |
C19 | C20 | N3 | 177.7° | 179.9° |
H22 | C1 | H1 | 109.5° | 109.4° |
H22 | C1 | H2 | 109.4° | 109.6° |
H1 | C1 | H2 | 109.5° | 109.5° |
H3 | C2 | H23 | 109.4° | 109.4° |
H5 | C5 | H4 | 109.5° | 109.5° |
H7 | C6 | H6 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C9 | C8 | C7 | H8 | 180.0° | 179.7° |
C8 | C9 | C10 | C11 | 0.0° | 0.0° |
C9 | C8 | C7 | O3 | 179.8° | 179.7° |
C9 | C8 | C7 | C12 | 0.2° | 0.8° |
C8 | C9 | C10 | H10 | 180.0° | 179.7° |
C10 | C9 | C8 | C7 | 0.1° | 0.6° |
C9 | C10 | C11 | H10 | 180.0° | 179.8° |
C9 | C10 | C11 | C12 | 0.5° | 0.2° |
C10 | C9 | C8 | H8 | 179.9° | 179.7° |
C9 | C10 | C11 | H11 | 179.5° | 179.7° |
C8 | C7 | O3 | C6 | 30.8° | 0.5° |
C8 | C7 | O3 | C12 | 180.0° | 179.4° |
C8 | C7 | C12 | C11 | 0.7° | 0.6° |
C8 | C7 | C12 | O4 | 179.3° | 180.0° |
C7 | C8 | C9 | H9 | 179.9° | 179.4° |
C10 | C11 | C12 | C7 | 0.8° | 0.0° |
C10 | C11 | C12 | H11 | 180.0° | 179.9° |
C10 | C11 | C12 | O4 | 179.5° | 179.5° |
C11 | C10 | C9 | H9 | 180.0° | 180.0° |
C1 | C2 | C3 | H3 | 122.0° | 120.0° |
C1 | C2 | C3 | H23 | 122.0° | 120.0° |
C1 | C2 | C3 | N1 | 11.6° | 180.0° |
C1 | C2 | C3 | O1 | 170.1° | 0.1° |
C2 | C1 | H22 | H1 | 120.0° | 119.9° |
C2 | C1 | H22 | H2 | 120.0° | 120.1° |
C2 | C1 | H1 | H2 | 120.0° | 120.0° |
C1 | C2 | H3 | H23 | 113.5° | 119.9° |
O2 | C4 | N2 | N1 | 179.8° | 180.0° |
O2 | C4 | N2 | C5 | 0.6° | 0.0° |
O2 | C4 | N2 | C24 | 179.6° | 180.0° |
O2 | C4 | N1 | C3 | 0.5° | 0.0° |
O2 | C4 | N1 | C29 | 179.8° | 179.8° |
O3 | C6 | C5 | H7 | 119.6° | 120.1° |
O3 | C6 | C5 | H6 | 119.6° | 120.0° |
C6 | O3 | C7 | C12 | 149.2° | 179.9° |
O3 | C6 | C5 | N2 | 70.2° | 65.0° |
O3 | C6 | C5 | H5 | 50.1° | 55.0° |
O3 | C6 | C5 | H4 | 169.6° | 175.0° |
O3 | C6 | H7 | H6 | 121.1° | 120.0° |
C5 | C6 | O3 | C7 | 157.0° | 180.0° |
C6 | C5 | N2 | C4 | 86.4° | 90.0° |
C6 | C5 | N2 | H5 | 120.3° | 120.0° |
C6 | C5 | N2 | H4 | 120.3° | 120.0° |
C6 | C5 | N2 | C24 | 92.5° | 90.0° |
C6 | C5 | H5 | H4 | 119.2° | 120.0° |
C5 | C6 | H7 | H6 | 121.1° | 120.0° |
O3 | C7 | C12 | C11 | 179.3° | 180.0° |
O3 | C7 | C12 | O4 | 0.6° | 0.6° |
C7 | O3 | C6 | H7 | 83.3° | 60.0° |
C7 | O3 | C6 | H6 | 37.4° | 60.0° |
O3 | C7 | C8 | H8 | 0.2° | 0.0° |
C7 | C12 | C11 | O4 | 178.6° | 179.4° |
C7 | C12 | O4 | C13 | 104.6° | 174.2° |
C12 | C7 | C8 | H8 | 179.8° | 179.4° |
C7 | C12 | C11 | H11 | 179.2° | 180.0° |
C2 | C3 | N1 | C4 | 4.2° | 0.3° |
C2 | C3 | N1 | O1 | 178.3° | 179.9° |
C2 | C3 | N1 | C29 | 176.5° | 180.0° |
C3 | C2 | C1 | H22 | 180.0° | 59.9° |
C3 | C2 | C1 | H1 | 60.0° | 59.9° |
C3 | C2 | H3 | H23 | 113.5° | 120.0° |
C3 | C2 | C1 | H2 | 60.0° | 179.9° |
C11 | C12 | O4 | C13 | 74.0° | 5.3° |
C12 | C11 | C10 | H10 | 179.5° | 180.0° |
C4 | N2 | C5 | C24 | 178.9° | 180.0° |
N2 | C4 | N1 | C3 | 179.7° | 180.0° |
N2 | C4 | N1 | C29 | 0.4° | 0.2° |
C4 | N2 | C24 | C29 | 0.5° | 0.3° |
C4 | N2 | C24 | C25 | 179.9° | 179.9° |
C4 | N2 | C5 | H5 | 153.3° | 150.0° |
C4 | N2 | C5 | H4 | 33.9° | 30.0° |
N1 | C4 | N2 | C5 | 179.6° | 180.0° |
N1 | C4 | N2 | C24 | 0.5° | 0.0° |
C4 | N1 | C3 | C29 | 179.2° | 179.7° |
C4 | N1 | C3 | O1 | 174.0° | 179.8° |
C4 | N1 | C29 | C24 | 0.1° | 0.4° |
C4 | N1 | C29 | C28 | 180.0° | 179.5° |
C5 | N2 | C24 | C29 | 179.5° | 179.7° |
C5 | N2 | C24 | C25 | 0.9° | 0.0° |
N2 | C5 | H5 | H4 | 119.2° | 120.0° |
N2 | C5 | C6 | H7 | 170.2° | 174.9° |
N2 | C5 | C6 | H6 | 49.5° | 55.0° |
C12 | O4 | C13 | C14 | 32.6° | 94.1° |
C12 | O4 | C13 | C23 | 146.9° | 85.6° |
O4 | C12 | C11 | H11 | 0.6° | 0.6° |
N2 | C24 | C29 | N1 | 0.2° | 0.4° |
N2 | C24 | C29 | C25 | 179.7° | 179.8° |
N2 | C24 | C29 | C28 | 179.7° | 179.6° |
N2 | C24 | C25 | C26 | 179.5° | 180.0° |
C24 | N2 | C5 | H5 | 27.7° | 30.0° |
C24 | N2 | C5 | H4 | 147.2° | 150.0° |
N2 | C24 | C25 | H18 | 0.5° | 0.0° |
C3 | N1 | C29 | C24 | 179.4° | 179.8° |
C3 | N1 | C29 | C28 | 0.7° | 0.8° |
N1 | C3 | C2 | H3 | 133.6° | 59.9° |
N1 | C3 | C2 | H23 | 110.3° | 60.0° |
O1 | C3 | N1 | C29 | 5.2° | 0.0° |
O1 | C3 | C2 | H3 | 48.1° | 120.0° |
O1 | C3 | C2 | H23 | 67.9° | 120.1° |
N1 | C29 | C24 | C28 | 179.9° | 179.2° |
N1 | C29 | C24 | C25 | 179.9° | 179.8° |
N1 | C29 | C28 | C27 | 180.0° | 179.5° |
N1 | C29 | C28 | H21 | 0.0° | 0.6° |
O4 | C13 | C14 | C23 | 179.5° | 179.7° |
O4 | C13 | C14 | C15 | 179.7° | 180.0° |
O4 | C13 | C23 | C22 | 0.1° | 0.6° |
O4 | C13 | C23 | C17 | 179.7° | 179.7° |
O4 | C13 | C14 | H12 | 0.3° | 0.1° |
C29 | C24 | C25 | C26 | 0.1° | 0.3° |
C24 | C29 | C28 | C27 | 0.1° | 0.6° |
C29 | C24 | C25 | H18 | 179.9° | 179.7° |
C24 | C29 | C28 | H21 | 179.9° | 179.6° |
C25 | C24 | C29 | C28 | 0.0° | 0.6° |
C24 | C25 | C26 | H18 | 180.0° | 180.0° |
C24 | C25 | C26 | C27 | 0.3° | 0.0° |
C24 | C25 | C26 | H19 | 179.8° | 180.0° |
C29 | C28 | C27 | H21 | 180.0° | 179.8° |
C29 | C28 | C27 | C26 | 0.3° | 0.3° |
C29 | C28 | C27 | H20 | 179.8° | 179.8° |
C13 | C14 | C15 | H12 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 0.1° | 0.0° |
C14 | C13 | C23 | C22 | 179.6° | 179.7° |
C14 | C13 | C23 | C17 | 0.2° | 0.6° |
C13 | C14 | C15 | H13 | 179.9° | 180.0° |
C15 | C14 | C13 | C23 | 0.2° | 0.3° |
C14 | C15 | C16 | H13 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.1° | 0.1° |
C14 | C15 | C16 | H14 | 179.9° | 180.0° |
C13 | C23 | C22 | C17 | 179.8° | 179.1° |
C13 | C23 | C22 | C21 | 179.7° | 179.7° |
C13 | C23 | C17 | C16 | 0.1° | 0.6° |
C13 | C23 | C17 | C18 | 179.9° | 179.7° |
C23 | C13 | C14 | H12 | 179.8° | 179.8° |
C13 | C23 | C22 | H17 | 0.3° | 0.6° |
C25 | C26 | C27 | C28 | 0.4° | 0.0° |
C25 | C26 | C27 | H19 | 180.0° | 180.0° |
C25 | C26 | C27 | H20 | 179.7° | 179.9° |
C15 | C16 | C17 | C23 | 0.1° | 0.3° |
C15 | C16 | C17 | H14 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 179.9° | 180.0° |
C16 | C15 | C14 | H12 | 180.0° | 180.0° |
C28 | C27 | C26 | H20 | 180.0° | 180.0° |
C28 | C27 | C26 | H19 | 179.6° | 180.0° |
C23 | C22 | C21 | H17 | 180.0° | 179.7° |
C22 | C23 | C17 | C16 | 179.8° | 179.7° |
C22 | C23 | C17 | C18 | 0.2° | 0.6° |
C23 | C22 | C21 | C19 | 0.3° | 0.3° |
C23 | C22 | C21 | H16 | 179.7° | 179.7° |
C17 | C23 | C22 | C21 | 0.4° | 0.6° |
C23 | C17 | C16 | C18 | 180.0° | 179.7° |
C23 | C17 | C18 | C19 | 0.1° | 0.3° |
C23 | C17 | C16 | H14 | 179.9° | 179.7° |
C23 | C17 | C18 | H15 | 180.0° | 179.8° |
C17 | C23 | C22 | H17 | 179.6° | 179.7° |
C27 | C26 | C25 | H18 | 179.7° | 180.0° |
C26 | C27 | C28 | H21 | 179.7° | 179.9° |
C22 | C21 | C19 | H16 | 180.0° | 180.0° |
C22 | C21 | C19 | C18 | 0.0° | 0.0° |
C22 | C21 | C19 | C20 | 179.4° | 180.0° |
C16 | C17 | C18 | C19 | 179.9° | 180.0° |
C17 | C16 | C15 | H13 | 179.9° | 179.9° |
C16 | C17 | C18 | H15 | 0.1° | 0.1° |
C17 | C18 | C19 | C21 | 0.2° | 0.0° |
C17 | C18 | C19 | H15 | 180.0° | 179.9° |
C17 | C18 | C19 | C20 | 179.5° | 180.0° |
C18 | C17 | C16 | H14 | 0.1° | 0.1° |
C21 | C19 | C18 | C20 | 179.4° | 180.0° |
C21 | C19 | C20 | N3 | 97.2° | 52.8° |
C21 | C19 | C18 | H15 | 179.8° | 180.0° |
C19 | C21 | C22 | H17 | 179.7° | 180.0° |
C18 | C19 | C20 | N3 | 82.1° | 127.2° |
C18 | C19 | C21 | H16 | 180.0° | 180.0° |
C20 | C19 | C18 | H15 | 0.5° | 0.1° |
C20 | C19 | C21 | H16 | 0.6° | 0.0° |
H10 | C10 | C9 | H9 | 0.0° | 0.3° |
H10 | C10 | C11 | H11 | 0.5° | 0.0° |
H22 | C1 | H1 | H2 | 120.0° | 120.1° |
H22 | C1 | C2 | H3 | 58.0° | 60.1° |
H22 | C1 | C2 | H23 | 58.0° | 180.0° |
H1 | C1 | C2 | H3 | 62.0° | 180.0° |
H1 | C1 | C2 | H23 | 178.0° | 60.1° |
H3 | C2 | C1 | H2 | 178.0° | 60.0° |
H5 | C5 | C6 | H7 | 69.5° | 65.0° |
H5 | C5 | C6 | H6 | 169.7° | 175.0° |
H4 | C5 | C6 | H7 | 49.9° | 55.0° |
H4 | C5 | C6 | H6 | 70.8° | 65.0° |
H8 | C8 | C9 | H9 | 0.1° | 0.3° |
H12 | C14 | C15 | H13 | 0.0° | 0.0° |
H13 | C15 | C16 | H14 | 0.1° | 0.0° |
H16 | C21 | C22 | H17 | 0.3° | 0.0° |
H18 | C25 | C26 | H19 | 0.2° | 0.0° |
H19 | C26 | C27 | H20 | 0.3° | 0.1° |
H20 | C27 | C28 | H21 | 0.3° | 0.1° |
H2 | C1 | C2 | H23 | 62.0° | 59.9° |