2VZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C19 | C9 | sing | 1.51Å | 1.53Å | |
C10 | C9 | doub | 1.36Å | 1.38Å | |
C10 | C11 | sing | 1.40Å | 1.48Å | |
C12 | C11 | doub | 1.37Å | 1.39Å | |
C12 | C13 | sing | 1.40Å | 1.47Å | |
C9 | C8 | sing | 1.41Å | 1.48Å | |
C14 | C13 | doub | 1.36Å | 1.39Å | |
C14 | C15 | sing | 1.41Å | 1.46Å | |
C13 | C20 | sing | 1.51Å | 1.53Å | |
O2 | C15 | doub | 1.22Å | 1.25Å | |
C15 | O1 | sing | 1.35Å | 1.25Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | C7 | sing | 1.51Å | 1.53Å | |
C8 | C7 | doub | 1.36Å | 1.39Å | |
C1' | C18 | sing | 1.53Å | 1.53Å | |
C7 | C6 | sing | 1.47Å | 1.45Å | |
C18 | C5 | sing | 1.50Å | 1.53Å | |
C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | C6' | sing | 1.51Å | 1.53Å | |
C2' | H1 | sing | 1.09Å | 1.10Å | |
C2' | H2 | sing | 1.09Å | 1.10Å | |
C1' | H3 | sing | 1.09Å | 1.10Å | |
C1' | H4 | sing | 1.09Å | 1.10Å | |
C18 | H5 | sing | 1.09Å | 1.10Å | |
C18 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.08Å | 1.08Å | |
C6' | H8 | sing | 1.09Å | 1.10Å | |
C6' | H9 | sing | 1.09Å | 1.10Å | |
C6' | H10 | sing | 1.09Å | 1.10Å | |
C2 | H11 | sing | 1.08Å | 1.08Å | |
C1 | H12 | sing | 1.08Å | 1.08Å | |
C8 | H13 | sing | 1.08Å | 1.08Å | |
C19 | H14 | sing | 1.09Å | 1.10Å | |
C19 | H15 | sing | 1.09Å | 1.10Å | |
C19 | H16 | sing | 1.09Å | 1.10Å | |
C10 | H17 | sing | 1.08Å | 1.08Å | |
C11 | H18 | sing | 1.08Å | 1.08Å | |
C12 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.09Å | 1.10Å | |
C20 | H22 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.08Å | 1.08Å | |
O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C19 | C9 | C10 | 120.8° | 120.0° |
C19 | C9 | C8 | 118.6° | 120.0° |
C9 | C19 | H14 | 109.5° | 109.5° |
C9 | C19 | H15 | 109.5° | 109.5° |
C9 | C19 | H16 | 109.4° | 109.5° |
C9 | C10 | C11 | 123.1° | 120.0° |
C10 | C9 | C8 | 120.6° | 120.0° |
C9 | C10 | H17 | 118.5° | 120.0° |
C10 | C11 | C12 | 121.5° | 119.9° |
C11 | C10 | H17 | 118.5° | 120.0° |
C10 | C11 | H18 | 119.2° | 120.0° |
C11 | C12 | C13 | 120.2° | 120.0° |
C12 | C11 | H18 | 119.2° | 120.1° |
C11 | C12 | H19 | 119.9° | 120.1° |
C12 | C13 | C14 | 118.0° | 120.0° |
C12 | C13 | C20 | 120.1° | 120.0° |
C13 | C12 | H19 | 119.9° | 120.0° |
C9 | C8 | C7 | 125.2° | 120.0° |
C9 | C8 | H13 | 117.4° | 120.0° |
C13 | C14 | C15 | 125.2° | 120.0° |
C14 | C13 | C20 | 122.0° | 120.0° |
C13 | C14 | H23 | 117.4° | 120.0° |
C14 | C15 | O2 | 116.6° | 120.0° |
C14 | C15 | O1 | 119.8° | 120.0° |
C15 | C14 | H23 | 117.4° | 120.0° |
C13 | C20 | H20 | 109.5° | 109.4° |
C13 | C20 | H21 | 109.4° | 109.4° |
C13 | C20 | H22 | 109.5° | 109.5° |
O2 | C15 | O1 | 123.6° | 120.1° |
C15 | O1 | H24 | 109.5° | 113.9° |
C1' | C2' | C7 | 113.7° | 107.4° |
C2' | C1' | C18 | 110.4° | 109.4° |
C1' | C2' | H1 | 108.4° | 109.8° |
C1' | C2' | H2 | 108.4° | 109.9° |
C2' | C1' | H3 | 109.2° | 109.5° |
C2' | C1' | H4 | 109.2° | 109.5° |
C2' | C7 | C8 | 118.6° | 121.2° |
C2' | C7 | C6 | 122.4° | 117.7° |
C7 | C2' | H1 | 108.4° | 109.9° |
C7 | C2' | H2 | 108.4° | 109.9° |
C8 | C7 | C6 | 118.9° | 121.2° |
C7 | C8 | H13 | 117.4° | 120.0° |
C1' | C18 | C5 | 113.3° | 111.2° |
C18 | C1' | H3 | 109.2° | 109.5° |
C18 | C1' | H4 | 109.2° | 109.5° |
C1' | C18 | H5 | 108.5° | 109.1° |
C1' | C18 | H6 | 108.5° | 109.1° |
C7 | C6 | C5 | 119.0° | 120.1° |
C7 | C6 | C1 | 121.3° | 119.8° |
C18 | C5 | C6 | 121.1° | 121.6° |
C18 | C5 | C4 | 119.5° | 119.1° |
C5 | C18 | H5 | 108.5° | 109.2° |
C5 | C18 | H6 | 108.5° | 109.2° |
C5 | C6 | C1 | 119.7° | 120.1° |
C6 | C5 | C4 | 119.4° | 119.3° |
C6 | C1 | C2 | 119.9° | 119.8° |
C6 | C1 | H12 | 120.1° | 120.1° |
C5 | C4 | C3 | 121.5° | 120.3° |
C5 | C4 | H7 | 119.3° | 119.8° |
C1 | C2 | C3 | 121.0° | 119.9° |
C1 | C2 | H11 | 119.5° | 120.0° |
C2 | C1 | H12 | 120.0° | 120.1° |
C4 | C3 | C2 | 118.5° | 120.6° |
C4 | C3 | C6' | 120.4° | 119.7° |
C3 | C4 | H7 | 119.3° | 119.8° |
C2 | C3 | C6' | 121.1° | 119.7° |
C3 | C2 | H11 | 119.5° | 120.1° |
C3 | C6' | H8 | 109.5° | 109.5° |
C3 | C6' | H9 | 109.5° | 109.5° |
C3 | C6' | H10 | 109.5° | 109.5° |
H1 | C2' | H2 | 109.5° | 109.9° |
H3 | C1' | H4 | 109.5° | 109.5° |
H5 | C18 | H6 | 109.5° | 109.0° |
H8 | C6' | H9 | 109.4° | 109.5° |
H8 | C6' | H10 | 109.5° | 109.5° |
H9 | C6' | H10 | 109.5° | 109.4° |
H14 | C19 | H15 | 109.5° | 109.4° |
H14 | C19 | H16 | 109.5° | 109.4° |
H15 | C19 | H16 | 109.5° | 109.5° |
H20 | C20 | H21 | 109.5° | 109.5° |
H20 | C20 | H22 | 109.5° | 109.5° |
H21 | C20 | H22 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C19 | C9 | C10 | C8 | 177.5° | 180.0° |
C19 | C9 | C10 | C11 | 176.4° | 180.0° |
C19 | C9 | C8 | C7 | 58.9° | 58.5° |
C19 | C9 | C8 | H13 | 121.1° | 121.4° |
C9 | C19 | H14 | H15 | 120.0° | 120.0° |
C9 | C19 | H14 | H16 | 120.0° | 120.0° |
C9 | C19 | H15 | H16 | 120.0° | 120.1° |
C19 | C9 | C10 | H17 | 3.6° | 0.0° |
C9 | C10 | C11 | H17 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 168.8° | 180.0° |
C10 | C9 | C8 | C7 | 123.5° | 121.5° |
C10 | C9 | C8 | H13 | 56.5° | 58.6° |
C10 | C9 | C19 | H14 | 180.0° | 84.7° |
C10 | C9 | C19 | H15 | 60.0° | 35.2° |
C10 | C9 | C19 | H16 | 60.0° | 155.3° |
C9 | C10 | C11 | H18 | 11.2° | 0.0° |
C10 | C11 | C12 | H18 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 179.8° | 180.0° |
C11 | C10 | C9 | C8 | 1.2° | 0.1° |
C10 | C11 | C12 | H19 | 0.2° | 0.0° |
C11 | C12 | C13 | H19 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 135.1° | 180.0° |
C11 | C12 | C13 | C20 | 46.0° | 0.0° |
C12 | C11 | C10 | H17 | 11.2° | 0.0° |
C12 | C13 | C14 | C20 | 178.9° | 179.9° |
C12 | C13 | C14 | C15 | 179.3° | 171.8° |
C13 | C12 | C11 | H18 | 0.2° | 0.0° |
C12 | C13 | C20 | H20 | 180.0° | 95.8° |
C12 | C13 | C20 | H21 | 60.0° | 144.2° |
C12 | C13 | C20 | H22 | 60.0° | 24.3° |
C12 | C13 | C14 | H23 | 0.8° | 8.1° |
C9 | C8 | C7 | C2' | 2.2° | 7.0° |
C9 | C8 | C7 | H13 | 180.0° | 180.0° |
C9 | C8 | C7 | C6 | 177.8° | 173.0° |
C8 | C9 | C19 | H14 | 2.4° | 95.2° |
C8 | C9 | C19 | H15 | 122.4° | 144.8° |
C8 | C9 | C19 | H16 | 117.6° | 24.7° |
C8 | C9 | C10 | H17 | 178.8° | 180.0° |
C13 | C14 | C15 | H23 | 180.0° | 179.9° |
C13 | C14 | C15 | O2 | 152.6° | 3.3° |
C13 | C14 | C15 | O1 | 27.9° | 176.6° |
C14 | C13 | C12 | H19 | 44.9° | 0.0° |
C14 | C13 | C20 | H20 | 1.1° | 84.3° |
C14 | C13 | C20 | H21 | 118.9° | 35.7° |
C14 | C13 | C20 | H22 | 121.1° | 155.7° |
C15 | C14 | C13 | C20 | 1.8° | 8.3° |
C14 | C15 | O2 | O1 | 179.4° | 179.9° |
C14 | C15 | O1 | H24 | 179.4° | 180.0° |
C20 | C13 | C12 | H19 | 134.0° | 180.0° |
C13 | C20 | H20 | H21 | 120.0° | 119.9° |
C13 | C20 | H20 | H22 | 120.0° | 120.0° |
C13 | C20 | H21 | H22 | 120.0° | 120.0° |
C20 | C13 | C14 | H23 | 178.1° | 171.8° |
O2 | C15 | C14 | H23 | 27.4° | 176.6° |
O2 | C15 | O1 | H24 | 0.0° | 0.1° |
O1 | C15 | C14 | H23 | 152.1° | 3.5° |
C1' | C2' | C7 | H1 | 120.6° | 119.4° |
C1' | C2' | C7 | H2 | 120.6° | 119.5° |
C1' | C2' | C7 | C8 | 166.7° | 137.5° |
C2' | C1' | C18 | H3 | 120.2° | 120.0° |
C2' | C1' | C18 | H4 | 120.1° | 119.9° |
C1' | C2' | C7 | C6 | 13.3° | 42.6° |
C2' | C1' | C18 | C5 | 51.5° | 54.6° |
C1' | C2' | H1 | H2 | 118.0° | 121.0° |
C2' | C1' | H3 | H4 | 119.6° | 120.0° |
C2' | C1' | C18 | H5 | 172.0° | 175.1° |
C2' | C1' | C18 | H6 | 69.1° | 65.9° |
C2' | C7 | C8 | C6 | 180.0° | 180.0° |
C7 | C2' | C1' | C18 | 41.8° | 64.0° |
C2' | C7 | C6 | C5 | 7.9° | 11.5° |
C2' | C7 | C6 | C1 | 170.2° | 168.8° |
C7 | C2' | H1 | H2 | 118.1° | 121.1° |
C7 | C2' | C1' | H3 | 78.4° | 56.0° |
C7 | C2' | C1' | H4 | 161.9° | 176.1° |
C2' | C7 | C8 | H13 | 177.8° | 173.1° |
C8 | C7 | C6 | C5 | 172.1° | 168.5° |
C8 | C7 | C6 | C1 | 9.8° | 11.1° |
C8 | C7 | C2' | H1 | 72.7° | 103.1° |
C8 | C7 | C2' | H2 | 46.1° | 18.0° |
C1' | C18 | C5 | H5 | 120.6° | 120.4° |
C1' | C18 | C5 | H6 | 120.6° | 120.5° |
C1' | C18 | C5 | C6 | 32.9° | 22.7° |
C1' | C18 | C5 | C4 | 147.5° | 157.4° |
C18 | C1' | C2' | H1 | 78.8° | 55.5° |
C18 | C1' | C2' | H2 | 162.4° | 176.5° |
C18 | C1' | H3 | H4 | 119.6° | 120.1° |
C1' | C18 | H5 | H6 | 118.3° | 119.1° |
C7 | C6 | C5 | C18 | 2.2° | 0.6° |
C7 | C6 | C5 | C1 | 178.1° | 179.6° |
C7 | C6 | C5 | C4 | 178.2° | 179.4° |
C7 | C6 | C1 | C2 | 177.1° | 179.5° |
C6 | C7 | C2' | H1 | 107.3° | 76.9° |
C6 | C7 | C2' | H2 | 133.9° | 162.0° |
C7 | C6 | C1 | H12 | 2.9° | 0.5° |
C6 | C7 | C8 | H13 | 2.2° | 7.0° |
C18 | C5 | C6 | C4 | 179.6° | 179.9° |
C18 | C5 | C6 | C1 | 179.7° | 179.7° |
C18 | C5 | C4 | C3 | 179.5° | 179.8° |
C5 | C18 | C1' | H3 | 68.7° | 65.4° |
C5 | C18 | C1' | H4 | 171.6° | 174.5° |
C5 | C18 | H5 | H6 | 118.2° | 119.2° |
C18 | C5 | C4 | H7 | 0.5° | 0.2° |
C5 | C6 | C1 | C2 | 0.9° | 0.1° |
C6 | C5 | C4 | C3 | 0.9° | 0.1° |
C6 | C5 | C18 | H5 | 153.4° | 143.1° |
C6 | C5 | C18 | H6 | 87.7° | 97.8° |
C6 | C5 | C4 | H7 | 179.1° | 179.9° |
C5 | C6 | C1 | H12 | 179.1° | 179.8° |
C1 | C6 | C5 | C4 | 0.1° | 0.2° |
C6 | C1 | C2 | H12 | 180.0° | 180.0° |
C6 | C1 | C2 | C3 | 1.1° | 0.0° |
C6 | C1 | C2 | H11 | 178.8° | 179.9° |
C5 | C4 | C3 | H7 | 180.0° | 180.0° |
C5 | C4 | C3 | C2 | 0.7° | 0.0° |
C5 | C4 | C3 | C6' | 179.8° | 180.0° |
C4 | C5 | C18 | H5 | 27.0° | 37.0° |
C4 | C5 | C18 | H6 | 91.9° | 82.1° |
C1 | C2 | C3 | C4 | 0.3° | 0.0° |
C1 | C2 | C3 | H11 | 180.0° | 180.0° |
C1 | C2 | C3 | C6' | 179.1° | 179.9° |
C4 | C3 | C2 | C6' | 179.5° | 180.0° |
C4 | C3 | C6' | H8 | 89.7° | 90.1° |
C4 | C3 | C6' | H9 | 150.3° | 150.0° |
C4 | C3 | C6' | H10 | 30.3° | 30.0° |
C4 | C3 | C2 | H11 | 179.7° | 180.0° |
C2 | C3 | C4 | H7 | 179.3° | 180.0° |
C2 | C3 | C6' | H8 | 89.7° | 90.0° |
C2 | C3 | C6' | H9 | 30.3° | 30.0° |
C2 | C3 | C6' | H10 | 150.3° | 150.0° |
C3 | C2 | C1 | H12 | 178.9° | 180.0° |
C6' | C3 | C4 | H7 | 0.1° | 0.1° |
C3 | C6' | H8 | H9 | 120.0° | 120.0° |
C3 | C6' | H8 | H10 | 120.0° | 120.1° |
C3 | C6' | H9 | H10 | 120.0° | 120.0° |
C6' | C3 | C2 | H11 | 0.9° | 0.1° |
H1 | C2' | C1' | H3 | 161.0° | 175.4° |
H1 | C2' | C1' | H4 | 41.3° | 64.5° |
H2 | C2' | C1' | H3 | 42.3° | 63.5° |
H2 | C2' | C1' | H4 | 77.4° | 56.6° |
H3 | C1' | C18 | H5 | 51.9° | 55.1° |
H3 | C1' | C18 | H6 | 170.8° | 174.1° |
H4 | C1' | C18 | H5 | 67.8° | 65.0° |
H4 | C1' | C18 | H6 | 51.1° | 54.0° |
H8 | C6' | H9 | H10 | 120.0° | 120.0° |
H11 | C2 | C1 | H12 | 1.1° | 0.1° |
H14 | C19 | H15 | H16 | 120.0° | 120.0° |
H17 | C10 | C11 | H18 | 168.8° | 180.0° |
H18 | C11 | C12 | H19 | 179.8° | 180.0° |
H20 | C20 | H21 | H22 | 120.0° | 120.1° |