CVF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | N | sing | 1.47Å | 1.46Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C4 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
N | C1 | sing | 1.35Å | 1.33Å | |
C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
O2 | C1 | doub | 1.21Å | 1.23Å | |
C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
C1 | C | sing | 1.51Å | 1.50Å | |
C6 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
O1 | C15 | doub | 1.21Å | 1.25Å | |
C9 | C10 | sing | 1.48Å | 1.48Å | |
C16 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.48Å | 1.51Å | |
C15 | O | sing | 1.35Å | 1.25Å | |
C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
N | H3 | sing | 0.97Å | 1.00Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H1 | sing | 1.09Å | 1.10Å | |
C | H | sing | 1.09Å | 1.10Å | |
O | H16 | sing | 0.97Å | 0.95Å | |
C11 | H12 | sing | 1.08Å | 1.08Å | |
C12 | H13 | sing | 1.08Å | 1.08Å | |
C13 | H14 | sing | 1.08Å | 1.08Å | |
C16 | H15 | sing | 1.08Å | 1.08Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.08Å | 1.08Å | |
C6 | H9 | sing | 1.08Å | 1.08Å | |
C7 | H10 | sing | 1.08Å | 1.08Å | |
C8 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | N | 112.6° | 109.5° |
C2 | C3 | C4 | 114.9° | 109.5° |
C3 | C2 | H4 | 108.7° | 109.5° |
C3 | C2 | H5 | 108.7° | 109.5° |
C2 | C3 | H7 | 108.1° | 109.5° |
C2 | C3 | H6 | 108.1° | 109.4° |
C2 | N | C1 | 123.1° | 120.0° |
C2 | N | H3 | 118.4° | 120.0° |
N | C2 | H4 | 108.7° | 109.5° |
N | C2 | H5 | 108.7° | 109.5° |
C3 | C4 | C7 | 121.0° | 119.9° |
C3 | C4 | C5 | 120.9° | 119.9° |
C4 | C3 | H7 | 108.1° | 109.5° |
C4 | C3 | H6 | 108.1° | 109.5° |
C7 | C4 | C5 | 118.1° | 120.2° |
C4 | C7 | C8 | 121.1° | 120.2° |
C4 | C7 | H10 | 119.5° | 119.9° |
C4 | C5 | C6 | 121.0° | 120.1° |
C4 | C5 | H8 | 119.5° | 119.9° |
N | C1 | O2 | 121.7° | 120.0° |
N | C1 | C | 116.3° | 120.0° |
C1 | N | H3 | 118.4° | 120.0° |
C7 | C8 | C9 | 121.2° | 119.9° |
C8 | C7 | H10 | 119.5° | 119.9° |
C7 | C8 | H11 | 119.4° | 120.1° |
C5 | C6 | C9 | 121.1° | 119.9° |
C6 | C5 | H8 | 119.5° | 119.9° |
C5 | C6 | H9 | 119.4° | 120.1° |
O2 | C1 | C | 122.0° | 120.0° |
C8 | C9 | C6 | 117.5° | 119.8° |
C8 | C9 | C10 | 121.0° | 120.1° |
C9 | C8 | H11 | 119.4° | 120.0° |
C1 | C | H2 | 109.5° | 109.5° |
C1 | C | H1 | 109.5° | 109.5° |
C1 | C | H | 109.5° | 109.5° |
C6 | C9 | C10 | 121.3° | 120.1° |
C9 | C6 | H9 | 119.5° | 120.0° |
O1 | C15 | C14 | 117.3° | 120.0° |
O1 | C15 | O | 124.9° | 120.0° |
C9 | C10 | C16 | 120.8° | 120.0° |
C9 | C10 | C11 | 120.8° | 120.0° |
C10 | C16 | C14 | 121.0° | 119.7° |
C16 | C10 | C11 | 118.3° | 120.0° |
C10 | C16 | H15 | 119.5° | 120.2° |
C16 | C14 | C15 | 120.0° | 120.1° |
C16 | C14 | C13 | 119.5° | 119.8° |
C14 | C16 | H15 | 119.5° | 120.1° |
C10 | C11 | C12 | 120.9° | 120.2° |
C10 | C11 | H12 | 119.6° | 119.9° |
C14 | C15 | O | 117.8° | 120.0° |
C15 | C14 | C13 | 120.5° | 120.1° |
C15 | O | H16 | 109.5° | 117.0° |
C14 | C13 | C12 | 120.2° | 120.1° |
C14 | C13 | H14 | 119.9° | 119.9° |
C11 | C12 | C13 | 120.2° | 120.3° |
C12 | C11 | H12 | 119.6° | 119.9° |
C11 | C12 | H13 | 119.9° | 119.9° |
C13 | C12 | H13 | 119.9° | 119.8° |
C12 | C13 | H14 | 119.9° | 120.0° |
H2 | C | H1 | 109.5° | 109.5° |
H2 | C | H | 109.5° | 109.5° |
H1 | C | H | 109.5° | 109.5° |
H4 | C2 | H5 | 109.5° | 109.4° |
H7 | C3 | H6 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | N | H4 | 120.5° | 120.0° |
C3 | C2 | N | H5 | 120.5° | 120.0° |
C2 | C3 | C4 | H7 | 120.8° | 120.0° |
C2 | C3 | C4 | H6 | 120.8° | 120.0° |
C2 | C3 | C4 | C7 | 11.2° | 90.0° |
C2 | C3 | C4 | C5 | 168.6° | 89.7° |
C3 | C2 | N | C1 | 113.4° | 180.0° |
C3 | C2 | N | H3 | 66.7° | 0.3° |
C3 | C2 | H4 | H5 | 118.6° | 120.0° |
C2 | C3 | H7 | H6 | 117.5° | 120.0° |
N | C2 | C3 | C4 | 80.0° | 180.0° |
C2 | N | C1 | H3 | 180.0° | 179.7° |
C2 | N | C1 | O2 | 8.1° | 0.3° |
C2 | N | C1 | C | 170.9° | 179.8° |
N | C2 | H4 | H5 | 118.6° | 120.0° |
N | C2 | C3 | H7 | 40.8° | 60.0° |
N | C2 | C3 | H6 | 159.2° | 60.0° |
C3 | C4 | C7 | C5 | 179.9° | 179.7° |
C3 | C4 | C7 | C8 | 179.0° | 180.0° |
C3 | C4 | C5 | C6 | 179.1° | 180.0° |
C4 | C3 | C2 | H4 | 40.5° | 60.0° |
C4 | C3 | C2 | H5 | 159.6° | 60.0° |
C4 | C3 | H7 | H6 | 117.5° | 120.0° |
C3 | C4 | C5 | H8 | 0.9° | 0.0° |
C3 | C4 | C7 | H10 | 1.0° | 0.0° |
C4 | C7 | C8 | H10 | 180.0° | 179.9° |
C7 | C4 | C5 | C6 | 0.8° | 0.3° |
C4 | C7 | C8 | C9 | 0.5° | 0.0° |
C7 | C4 | C3 | H7 | 132.0° | 30.0° |
C7 | C4 | C3 | H6 | 109.6° | 150.0° |
C7 | C4 | C5 | H8 | 179.2° | 179.8° |
C4 | C7 | C8 | H11 | 179.5° | 180.0° |
C5 | C4 | C7 | C8 | 0.9° | 0.2° |
C4 | C5 | C6 | H8 | 180.0° | 180.0° |
C4 | C5 | C6 | C9 | 0.7° | 0.0° |
C5 | C4 | C3 | H7 | 47.8° | 150.3° |
C5 | C4 | C3 | H6 | 70.5° | 30.3° |
C4 | C5 | C6 | H9 | 179.3° | 180.0° |
C5 | C4 | C7 | H10 | 179.1° | 179.7° |
N | C1 | O2 | C | 178.9° | 179.9° |
N | C1 | C | H2 | 178.9° | 0.0° |
N | C1 | C | H1 | 59.0° | 120.0° |
N | C1 | C | H | 61.1° | 120.0° |
C1 | N | C2 | H4 | 7.1° | 60.0° |
C1 | N | C2 | H5 | 126.2° | 60.0° |
C7 | C8 | C9 | H11 | 180.0° | 180.0° |
C7 | C8 | C9 | C6 | 2.0° | 0.3° |
C7 | C8 | C9 | C10 | 173.4° | 180.0° |
C5 | C6 | C9 | C8 | 2.1° | 0.3° |
C5 | C6 | C9 | H9 | 180.0° | 180.0° |
C5 | C6 | C9 | C10 | 173.3° | 180.0° |
O2 | C1 | N | H3 | 172.0° | 180.0° |
O2 | C1 | C | H2 | 0.0° | 179.9° |
O2 | C1 | C | H1 | 120.0° | 60.1° |
O2 | C1 | C | H | 120.0° | 59.9° |
C8 | C9 | C6 | C10 | 175.4° | 179.8° |
C8 | C9 | C10 | C16 | 121.2° | 0.0° |
C8 | C9 | C10 | C11 | 59.4° | 179.7° |
C8 | C9 | C6 | H9 | 178.0° | 179.7° |
C9 | C8 | C7 | H10 | 179.5° | 180.0° |
C | C1 | N | H3 | 9.1° | 0.0° |
C1 | C | H2 | H1 | 120.0° | 120.0° |
C1 | C | H2 | H | 120.0° | 120.0° |
C1 | C | H1 | H | 120.0° | 120.0° |
C6 | C9 | C10 | C16 | 63.6° | 179.7° |
C6 | C9 | C10 | C11 | 115.9° | 0.0° |
C9 | C6 | C5 | H8 | 179.3° | 180.0° |
C6 | C9 | C8 | H11 | 178.1° | 179.8° |
O1 | C15 | C14 | C16 | 41.2° | 0.1° |
O1 | C15 | C14 | O | 179.7° | 180.0° |
O1 | C15 | C14 | C13 | 138.2° | 180.0° |
O1 | C15 | O | H16 | 0.0° | 0.0° |
C9 | C10 | C16 | C11 | 179.5° | 179.7° |
C9 | C10 | C16 | C14 | 179.2° | 179.8° |
C9 | C10 | C11 | C12 | 179.1° | 179.8° |
C9 | C10 | C11 | H12 | 0.9° | 0.3° |
C9 | C10 | C16 | H15 | 0.9° | 0.3° |
C10 | C9 | C6 | H9 | 6.7° | 0.0° |
C10 | C9 | C8 | H11 | 6.6° | 0.0° |
C10 | C16 | C14 | H15 | 180.0° | 180.0° |
C10 | C16 | C14 | C15 | 179.4° | 180.0° |
C10 | C16 | C14 | C13 | 0.0° | 0.1° |
C16 | C10 | C11 | C12 | 0.3° | 0.1° |
C16 | C10 | C11 | H12 | 179.6° | 180.0° |
C14 | C16 | C10 | C11 | 0.3° | 0.1° |
C16 | C14 | C15 | C13 | 179.4° | 179.9° |
C16 | C14 | C15 | O | 139.2° | 179.9° |
C16 | C14 | C13 | C12 | 0.2° | 0.1° |
C16 | C14 | C13 | H14 | 179.7° | 180.0° |
C10 | C11 | C12 | H12 | 180.0° | 179.9° |
C10 | C11 | C12 | C13 | 0.1° | 0.1° |
C10 | C11 | C12 | H13 | 179.9° | 180.0° |
C11 | C10 | C16 | H15 | 179.7° | 180.0° |
C15 | C14 | C13 | C12 | 179.2° | 180.0° |
C14 | C15 | O | H16 | 179.6° | 180.0° |
C15 | C14 | C13 | H14 | 0.9° | 0.0° |
C15 | C14 | C16 | H15 | 0.5° | 0.0° |
O | C15 | C14 | C13 | 41.4° | 0.0° |
C14 | C13 | C12 | C11 | 0.2° | 0.1° |
C14 | C13 | C12 | H14 | 180.0° | 179.9° |
C14 | C13 | C12 | H13 | 179.8° | 180.0° |
C13 | C14 | C16 | H15 | 180.0° | 179.9° |
C11 | C12 | C13 | H13 | 180.0° | 179.9° |
C11 | C12 | C13 | H14 | 179.7° | 180.0° |
C13 | C12 | C11 | H12 | 179.9° | 180.0° |
H3 | N | C2 | H4 | 172.9° | 120.3° |
H3 | N | C2 | H5 | 53.8° | 119.7° |
H2 | C | H1 | H | 120.0° | 120.0° |
H12 | C11 | C12 | H13 | 0.1° | 0.1° |
H13 | C12 | C13 | H14 | 0.3° | 0.1° |
H4 | C2 | C3 | H7 | 161.3° | 180.0° |
H4 | C2 | C3 | H6 | 80.3° | 60.0° |
H5 | C2 | C3 | H7 | 79.6° | 60.0° |
H5 | C2 | C3 | H6 | 38.8° | 180.0° |
H8 | C5 | C6 | H9 | 0.7° | 0.0° |
H10 | C7 | C8 | H11 | 0.5° | 0.1° |