V0B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.51Å | 1.53Å | |
C03 | C02 | sing | 1.40Å | 1.47Å | Aromatic |
C03 | C04 | doub | 1.36Å | 1.48Å | Aromatic |
C19 | C20 | doub | 1.36Å | 1.49Å | |
C19 | C18 | sing | 1.40Å | 1.51Å | |
C02 | C25 | doub | 1.35Å | 1.50Å | Aromatic |
C04 | C05 | sing | 1.41Å | 1.58Å | Aromatic |
C20 | C21 | sing | 1.41Å | 1.55Å | |
C18 | C17 | doub | 1.35Å | 1.53Å | |
C25 | N24 | sing | 1.36Å | 1.54Å | Aromatic |
C05 | N24 | sing | 1.37Å | 1.39Å | Aromatic |
C05 | N06 | doub | 1.33Å | 1.37Å | Aromatic |
C17 | N16 | sing | 1.36Å | 1.51Å | |
C21 | N22 | doub | 1.33Å | 1.49Å | |
C21 | N16 | sing | 1.37Å | 1.49Å | |
N24 | C23 | sing | 1.37Å | 1.34Å | Aromatic |
N06 | C07 | sing | 1.34Å | 1.34Å | Aromatic |
N22 | C12 | sing | 1.33Å | 1.44Å | |
N16 | C14 | sing | 1.35Å | 1.48Å | |
C23 | C07 | doub | 1.35Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.51Å | 1.51Å | |
N09 | C08 | sing | 1.47Å | 1.45Å | |
N09 | C10 | sing | 1.35Å | 1.46Å | |
C12 | C10 | sing | 1.49Å | 1.49Å | |
C12 | C13 | doub | 1.39Å | 1.49Å | |
C14 | O15 | doub | 1.22Å | 1.19Å | |
C14 | C13 | sing | 1.40Å | 1.49Å | |
C10 | O11 | doub | 1.22Å | 1.17Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C20 | H4 | sing | 1.08Å | 1.08Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C03 | H8 | sing | 1.08Å | 1.08Å | |
C04 | H9 | sing | 1.08Å | 1.08Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C08 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.08Å | 1.08Å | |
C19 | H13 | sing | 1.08Å | 1.08Å | |
C23 | H14 | sing | 1.08Å | 1.08Å | |
C25 | H15 | sing | 1.08Å | 1.08Å | |
N09 | H16 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 119.8° | 119.9° |
C01 | C02 | C25 | 119.5° | 119.8° |
C02 | C01 | H5 | 109.5° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.4° |
C02 | C01 | H7 | 109.5° | 109.5° |
C02 | C03 | C04 | 120.0° | 119.7° |
C03 | C02 | C25 | 120.7° | 120.3° |
C02 | C03 | H8 | 120.0° | 120.1° |
C03 | C04 | C05 | 118.9° | 119.3° |
C04 | C03 | H8 | 120.0° | 120.2° |
C03 | C04 | H9 | 120.5° | 120.3° |
C20 | C19 | C18 | 120.8° | 119.5° |
C19 | C20 | C21 | 117.7° | 119.5° |
C19 | C20 | H4 | 121.2° | 120.3° |
C20 | C19 | H13 | 119.6° | 120.2° |
C19 | C18 | C17 | 120.3° | 120.2° |
C19 | C18 | H12 | 119.9° | 119.9° |
C18 | C19 | H13 | 119.6° | 120.2° |
C02 | C25 | N24 | 119.3° | 120.6° |
C02 | C25 | H15 | 120.4° | 119.7° |
C04 | C05 | N24 | 120.6° | 119.6° |
C04 | C05 | N06 | 131.2° | 132.3° |
C05 | C04 | H9 | 120.6° | 120.3° |
C20 | C21 | N22 | 118.2° | 119.4° |
C20 | C21 | N16 | 122.7° | 119.6° |
C21 | C20 | H4 | 121.1° | 120.2° |
C18 | C17 | N16 | 120.0° | 120.7° |
C18 | C17 | H3 | 120.0° | 119.6° |
C17 | C18 | H12 | 119.8° | 119.9° |
C25 | N24 | C05 | 120.5° | 120.4° |
C25 | N24 | C23 | 131.7° | 132.6° |
N24 | C25 | H15 | 120.4° | 119.7° |
N24 | C05 | N06 | 108.1° | 108.1° |
C05 | N24 | C23 | 107.9° | 107.0° |
C05 | N06 | C07 | 107.6° | 109.1° |
C17 | N16 | C21 | 118.5° | 120.5° |
C17 | N16 | C14 | 120.7° | 119.5° |
N16 | C17 | H3 | 120.0° | 119.6° |
N22 | C21 | N16 | 119.1° | 121.0° |
C21 | N22 | C12 | 119.8° | 121.4° |
C21 | N16 | C14 | 120.8° | 120.0° |
N24 | C23 | C07 | 107.5° | 107.2° |
N24 | C23 | H14 | 126.2° | 126.4° |
N06 | C07 | C23 | 108.9° | 108.6° |
N06 | C07 | C08 | 125.1° | 125.7° |
N22 | C12 | C10 | 118.0° | 120.1° |
N22 | C12 | C13 | 122.2° | 119.8° |
N16 | C14 | O15 | 121.9° | 120.5° |
N16 | C14 | C13 | 119.2° | 119.1° |
C23 | C07 | C08 | 125.9° | 125.7° |
C07 | C23 | H14 | 126.2° | 126.4° |
C07 | C08 | N09 | 106.8° | 109.5° |
C07 | C08 | H10 | 110.1° | 109.5° |
C07 | C08 | H11 | 110.1° | 109.5° |
C08 | N09 | C10 | 122.5° | 120.0° |
N09 | C08 | H10 | 110.1° | 109.5° |
N09 | C08 | H11 | 110.2° | 109.4° |
C08 | N09 | H16 | 118.8° | 120.0° |
N09 | C10 | C12 | 119.1° | 120.0° |
N09 | C10 | O11 | 124.1° | 120.0° |
C10 | N09 | H16 | 118.7° | 120.0° |
C10 | C12 | C13 | 119.7° | 120.1° |
C12 | C10 | O11 | 116.7° | 120.0° |
C12 | C13 | C14 | 118.8° | 118.8° |
C12 | C13 | H1 | 120.6° | 120.6° |
O15 | C14 | C13 | 118.9° | 120.5° |
C14 | C13 | H1 | 120.6° | 120.6° |
H5 | C01 | H6 | 109.5° | 109.5° |
H5 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H7 | 109.4° | 109.4° |
H10 | C08 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C03 | C25 | 179.8° | 179.7° |
C01 | C02 | C03 | C04 | 179.9° | 180.0° |
C01 | C02 | C25 | N24 | 179.9° | 179.8° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H7 | 120.0° | 120.0° |
C02 | C01 | H6 | H7 | 120.0° | 119.9° |
C01 | C02 | C03 | H8 | 0.1° | 0.1° |
C01 | C02 | C25 | H15 | 0.0° | 0.0° |
C02 | C03 | C04 | H8 | 180.0° | 179.9° |
C02 | C03 | C04 | C05 | 0.2° | 0.0° |
C03 | C02 | C25 | N24 | 0.1° | 0.5° |
C03 | C02 | C01 | H5 | 90.1° | 89.7° |
C03 | C02 | C01 | H6 | 149.9° | 30.4° |
C03 | C02 | C01 | H7 | 29.9° | 150.3° |
C02 | C03 | C04 | H9 | 179.8° | 180.0° |
C03 | C02 | C25 | H15 | 179.8° | 179.6° |
C04 | C03 | C02 | C25 | 0.3° | 0.3° |
C03 | C04 | C05 | H9 | 180.0° | 180.0° |
C03 | C04 | C05 | N24 | 0.1° | 0.0° |
C03 | C04 | C05 | N06 | 179.9° | 180.0° |
C20 | C19 | C18 | H13 | 180.0° | 179.8° |
C19 | C20 | C21 | H4 | 180.0° | 179.6° |
C20 | C19 | C18 | C17 | 0.0° | 0.1° |
C19 | C20 | C21 | N22 | 179.4° | 179.6° |
C19 | C20 | C21 | N16 | 0.1° | 0.0° |
C20 | C19 | C18 | H12 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 0.2° | 0.1° |
C19 | C18 | C17 | H12 | 180.0° | 179.9° |
C19 | C18 | C17 | N16 | 0.3° | 0.1° |
C19 | C18 | C17 | H3 | 179.7° | 179.9° |
C18 | C19 | C20 | H4 | 179.8° | 179.7° |
C02 | C25 | N24 | H15 | 180.0° | 179.8° |
C02 | C25 | N24 | C05 | 0.2° | 0.5° |
C02 | C25 | N24 | C23 | 179.6° | 179.8° |
C25 | C02 | C01 | H5 | 90.1° | 90.0° |
C25 | C02 | C01 | H6 | 29.9° | 150.0° |
C25 | C02 | C01 | H7 | 149.9° | 30.1° |
C25 | C02 | C03 | H8 | 179.7° | 179.8° |
C04 | C05 | N24 | C25 | 0.2° | 0.2° |
C04 | C05 | N24 | N06 | 180.0° | 180.0° |
C04 | C05 | N24 | C23 | 179.8° | 180.0° |
C04 | C05 | N06 | C07 | 179.8° | 179.9° |
C05 | C04 | C03 | H8 | 179.8° | 180.0° |
C20 | C21 | N16 | C17 | 0.1° | 0.0° |
C20 | C21 | N22 | N16 | 179.5° | 179.6° |
C20 | C21 | N22 | C12 | 179.4° | 180.0° |
C20 | C21 | N16 | C14 | 179.7° | 180.0° |
C21 | C20 | C19 | H13 | 179.8° | 180.0° |
C18 | C17 | N16 | H3 | 180.0° | 180.0° |
C18 | C17 | N16 | C21 | 0.3° | 0.0° |
C18 | C17 | N16 | C14 | 179.5° | 180.0° |
C17 | C18 | C19 | H13 | 180.0° | 180.0° |
C25 | N24 | C05 | C23 | 179.6° | 179.8° |
C25 | N24 | C05 | N06 | 179.8° | 179.8° |
C25 | N24 | C23 | C07 | 180.0° | 179.8° |
C25 | N24 | C23 | H14 | 0.0° | 0.2° |
N24 | C05 | N06 | C07 | 0.2° | 0.0° |
C05 | N24 | C23 | C07 | 0.5° | 0.0° |
N24 | C05 | C04 | H9 | 179.9° | 180.0° |
C05 | N24 | C23 | H14 | 179.5° | 180.0° |
C05 | N24 | C25 | H15 | 179.9° | 179.7° |
N06 | C05 | N24 | C23 | 0.2° | 0.0° |
C05 | N06 | C07 | C23 | 0.5° | 0.0° |
C05 | N06 | C07 | C08 | 179.9° | 180.0° |
N06 | C05 | C04 | H9 | 0.1° | 0.0° |
C17 | N16 | C21 | N22 | 179.6° | 179.7° |
C17 | N16 | C21 | C14 | 179.8° | 179.9° |
C17 | N16 | C14 | O15 | 0.9° | 0.1° |
C17 | N16 | C14 | C13 | 179.6° | 180.0° |
N16 | C17 | C18 | H12 | 179.7° | 179.9° |
N22 | C21 | N16 | C14 | 0.2° | 0.4° |
C21 | N22 | C12 | C10 | 178.8° | 179.9° |
C21 | N22 | C12 | C13 | 1.9° | 0.0° |
N22 | C21 | C20 | H4 | 0.6° | 0.0° |
N16 | C21 | N22 | C12 | 1.0° | 0.4° |
C21 | N16 | C14 | O15 | 179.3° | 180.0° |
C21 | N16 | C14 | C13 | 0.2° | 0.0° |
C21 | N16 | C17 | H3 | 179.6° | 180.0° |
N16 | C21 | C20 | H4 | 179.9° | 179.6° |
N24 | C23 | C07 | N06 | 0.6° | 0.0° |
N24 | C23 | C07 | H14 | 180.0° | 180.0° |
N24 | C23 | C07 | C08 | 179.8° | 180.0° |
C23 | N24 | C25 | H15 | 0.4° | 0.1° |
N06 | C07 | C23 | C08 | 179.6° | 179.9° |
N06 | C07 | C08 | N09 | 72.9° | 85.0° |
N06 | C07 | C08 | H10 | 46.7° | 35.0° |
N06 | C07 | C08 | H11 | 167.5° | 155.0° |
N06 | C07 | C23 | H14 | 179.4° | 180.0° |
N22 | C12 | C10 | N09 | 2.5° | 0.3° |
N22 | C12 | C10 | C13 | 176.9° | 180.0° |
N22 | C12 | C13 | C14 | 1.9° | 0.3° |
N22 | C12 | C10 | O11 | 174.2° | 180.0° |
N22 | C12 | C13 | H1 | 178.1° | 180.0° |
N16 | C14 | C13 | C12 | 1.0° | 0.3° |
N16 | C14 | O15 | C13 | 179.5° | 179.9° |
N16 | C14 | C13 | H1 | 179.0° | 180.0° |
C14 | N16 | C17 | H3 | 0.5° | 0.0° |
C23 | C07 | C08 | N09 | 106.7° | 95.0° |
C23 | C07 | C08 | H10 | 133.8° | 145.0° |
C23 | C07 | C08 | H11 | 12.9° | 24.9° |
C07 | C08 | N09 | H10 | 119.6° | 120.0° |
C07 | C08 | N09 | H11 | 119.6° | 120.0° |
C07 | C08 | N09 | C10 | 146.2° | 180.0° |
C07 | C08 | H10 | H11 | 121.2° | 120.0° |
C08 | C07 | C23 | H14 | 0.2° | 0.0° |
C07 | C08 | N09 | H16 | 33.8° | 0.0° |
C08 | N09 | C10 | H16 | 180.0° | 180.0° |
C08 | N09 | C10 | C12 | 178.2° | 179.7° |
C08 | N09 | C10 | O11 | 1.8° | 0.0° |
N09 | C08 | H10 | H11 | 121.3° | 120.0° |
N09 | C10 | C12 | O11 | 176.7° | 179.7° |
N09 | C10 | C12 | C13 | 179.4° | 179.7° |
C10 | N09 | C08 | H10 | 94.2° | 60.0° |
C10 | N09 | C08 | H11 | 26.6° | 60.0° |
C10 | C12 | C13 | C14 | 178.7° | 179.7° |
C10 | C12 | C13 | H1 | 1.3° | 0.0° |
C12 | C10 | N09 | H16 | 1.8° | 0.3° |
C12 | C13 | C14 | O15 | 178.5° | 179.7° |
C12 | C13 | C14 | H1 | 180.0° | 179.7° |
C13 | C12 | C10 | O11 | 2.7° | 0.0° |
O15 | C14 | C13 | H1 | 1.5° | 0.1° |
O11 | C10 | N09 | H16 | 178.2° | 180.0° |
H3 | C17 | C18 | H12 | 0.3° | 0.1° |
H4 | C20 | C19 | H13 | 0.2° | 0.5° |
H5 | C01 | H6 | H7 | 120.0° | 120.0° |
H8 | C03 | C04 | H9 | 0.2° | 0.0° |
H10 | C08 | N09 | H16 | 85.7° | 120.0° |
H11 | C08 | N09 | H16 | 153.4° | 120.0° |
H12 | C18 | C19 | H13 | 0.1° | 0.1° |