RVF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
C11 | C06 | sing | 1.41Å | 1.38Å | Aromatic |
C11 | C12 | sing | 1.42Å | 1.40Å | Aromatic |
C06 | N05 | sing | 1.38Å | 1.34Å | Aromatic |
C12 | C13 | sing | 1.51Å | 1.52Å | |
C12 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
C13 | N14 | sing | 1.47Å | 1.45Å | |
N05 | C04 | sing | 1.38Å | 1.32Å | Aromatic |
C04 | C02 | sing | 1.47Å | 1.53Å | |
O16 | C15 | doub | 1.22Å | 1.18Å | |
N14 | C15 | sing | 1.35Å | 1.45Å | |
C02 | O03 | doub | 1.22Å | 1.26Å | |
C02 | O01 | sing | 1.35Å | 1.26Å | |
C15 | C17 | sing | 1.48Å | 1.52Å | |
C17 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
C18 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
C25 | N24 | sing | 1.36Å | 1.34Å | Aromatic |
C25 | C20 | doub | 1.41Å | 1.38Å | Aromatic |
N24 | C22 | doub | 1.31Å | 1.32Å | Aromatic |
C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
C20 | N21 | sing | 1.38Å | 1.34Å | Aromatic |
C22 | N21 | sing | 1.36Å | 1.32Å | Aromatic |
C22 | O23 | sing | 1.35Å | 1.40Å | |
C18 | H181 | sing | 1.08Å | 1.08Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C13 | H132 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C19 | H191 | sing | 1.08Å | 1.08Å | |
C07 | H071 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
C09 | H091 | sing | 1.08Å | 1.08Å | |
C26 | H261 | sing | 1.08Å | 1.08Å | |
N05 | H051 | sing | 0.97Å | 1.00Å | |
N14 | H141 | sing | 0.97Å | 1.00Å | |
N21 | H211 | sing | 0.97Å | 1.00Å | |
O01 | H2 | sing | 0.97Å | 0.95Å | |
O23 | H231 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C09 | C10 | 120.0° | 120.6° |
C09 | C08 | C07 | 120.4° | 120.7° |
C09 | C08 | H081 | 119.8° | 119.6° |
C08 | C09 | H091 | 120.0° | 119.7° |
C09 | C10 | C11 | 119.5° | 119.8° |
C09 | C10 | H101 | 120.3° | 120.1° |
C10 | C09 | H091 | 120.0° | 119.7° |
C08 | C07 | C06 | 119.7° | 119.8° |
C08 | C07 | H071 | 120.2° | 120.1° |
C07 | C08 | H081 | 119.8° | 119.7° |
C10 | C11 | C06 | 120.6° | 119.7° |
C10 | C11 | C12 | 133.5° | 133.4° |
C11 | C10 | H101 | 120.3° | 120.1° |
C07 | C06 | C11 | 119.8° | 119.4° |
C07 | C06 | N05 | 131.4° | 133.2° |
C06 | C07 | H071 | 120.1° | 120.1° |
C06 | C11 | C12 | 105.9° | 107.0° |
C11 | C06 | N05 | 108.7° | 107.4° |
C11 | C12 | C13 | 125.7° | 126.1° |
C11 | C12 | C04 | 106.9° | 107.7° |
C06 | N05 | C04 | 110.4° | 108.7° |
C06 | N05 | H051 | 124.8° | 125.6° |
C13 | C12 | C04 | 127.4° | 126.1° |
C12 | C13 | N14 | 111.1° | 109.4° |
C12 | C13 | H131 | 109.1° | 109.5° |
C12 | C13 | H132 | 109.0° | 109.5° |
C12 | C04 | N05 | 108.0° | 109.1° |
C12 | C04 | C02 | 126.2° | 125.5° |
C13 | N14 | C15 | 120.1° | 120.0° |
N14 | C13 | H131 | 109.1° | 109.5° |
N14 | C13 | H132 | 109.1° | 109.4° |
C13 | N14 | H141 | 119.9° | 120.0° |
N05 | C04 | C02 | 125.8° | 125.4° |
C04 | N05 | H051 | 124.8° | 125.7° |
C04 | C02 | O03 | 120.1° | 120.0° |
C04 | C02 | O01 | 119.9° | 120.0° |
O16 | C15 | N14 | 120.3° | 120.0° |
O16 | C15 | C17 | 119.9° | 120.1° |
N14 | C15 | C17 | 119.8° | 120.0° |
C15 | N14 | H141 | 119.9° | 120.0° |
O03 | C02 | O01 | 119.9° | 120.0° |
C02 | O01 | H2 | 109.5° | 117.0° |
C15 | C17 | C26 | 118.2° | 119.9° |
C15 | C17 | C18 | 121.4° | 120.0° |
C26 | C17 | C18 | 120.4° | 120.1° |
C17 | C26 | C25 | 120.2° | 119.5° |
C17 | C26 | H261 | 119.9° | 120.2° |
C17 | C18 | C19 | 119.6° | 120.5° |
C17 | C18 | H181 | 120.2° | 119.8° |
C26 | C25 | N24 | 133.7° | 133.4° |
C26 | C25 | C20 | 119.7° | 119.5° |
C25 | C26 | H261 | 119.9° | 120.3° |
C18 | C19 | C20 | 119.9° | 120.1° |
C19 | C18 | H181 | 120.2° | 119.7° |
C18 | C19 | H191 | 120.1° | 120.0° |
N24 | C25 | C20 | 106.6° | 107.1° |
C25 | N24 | C22 | 108.3° | 109.5° |
C25 | C20 | C19 | 120.3° | 120.2° |
C25 | C20 | N21 | 107.5° | 106.0° |
N24 | C22 | N21 | 109.9° | 110.0° |
N24 | C22 | O23 | 124.9° | 125.0° |
C19 | C20 | N21 | 132.3° | 133.8° |
C20 | C19 | H191 | 120.1° | 119.9° |
C20 | N21 | C22 | 107.7° | 107.4° |
C20 | N21 | H211 | 126.2° | 126.3° |
N21 | C22 | O23 | 125.2° | 125.0° |
C22 | N21 | H211 | 126.1° | 126.4° |
C22 | O23 | H231 | 109.5° | 114.0° |
H131 | C13 | H132 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C09 | C10 | H091 | 180.0° | 179.9° |
C09 | C08 | C07 | H081 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.0° | 0.0° |
C09 | C08 | C07 | C06 | 0.1° | 0.1° |
C08 | C09 | C10 | H101 | 180.0° | 179.9° |
C09 | C08 | C07 | H071 | 179.9° | 179.9° |
C10 | C09 | C08 | C07 | 0.1° | 0.1° |
C09 | C10 | C11 | H101 | 180.0° | 179.9° |
C09 | C10 | C11 | C06 | 0.1° | 0.0° |
C09 | C10 | C11 | C12 | 179.8° | 180.0° |
C10 | C09 | C08 | H081 | 179.9° | 180.0° |
C08 | C07 | C06 | H071 | 180.0° | 180.0° |
C08 | C07 | C06 | C11 | 0.0° | 0.0° |
C08 | C07 | C06 | N05 | 180.0° | 179.8° |
C07 | C08 | C09 | H091 | 179.8° | 180.0° |
C10 | C11 | C06 | C07 | 0.1° | 0.1° |
C10 | C11 | C06 | C12 | 179.8° | 179.9° |
C10 | C11 | C06 | N05 | 179.9° | 179.8° |
C10 | C11 | C12 | C13 | 0.5° | 0.1° |
C10 | C11 | C12 | C04 | 179.9° | 179.7° |
C11 | C10 | C09 | H091 | 180.0° | 180.0° |
C07 | C06 | C11 | N05 | 180.0° | 179.9° |
C07 | C06 | C11 | C12 | 179.9° | 180.0° |
C07 | C06 | N05 | C04 | 180.0° | 179.9° |
C06 | C07 | C08 | H081 | 179.9° | 180.0° |
C07 | C06 | N05 | H051 | 0.0° | 0.1° |
C06 | C11 | C12 | C13 | 179.7° | 180.0° |
C06 | C11 | C12 | C04 | 0.2° | 0.2° |
C11 | C06 | N05 | C04 | 0.1° | 0.0° |
C06 | C11 | C10 | H101 | 179.9° | 180.0° |
C11 | C06 | C07 | H071 | 180.0° | 180.0° |
C11 | C06 | N05 | H051 | 179.9° | 180.0° |
C12 | C11 | C06 | N05 | 0.1° | 0.1° |
C11 | C12 | C13 | C04 | 179.5° | 179.8° |
C11 | C12 | C13 | N14 | 107.6° | 89.8° |
C11 | C12 | C04 | N05 | 0.2° | 0.2° |
C11 | C12 | C04 | C02 | 179.9° | 179.8° |
C11 | C12 | C13 | H131 | 12.7° | 30.2° |
C11 | C12 | C13 | H132 | 132.2° | 150.3° |
C12 | C11 | C10 | H101 | 0.2° | 0.1° |
C06 | N05 | C04 | C12 | 0.1° | 0.1° |
C06 | N05 | C04 | H051 | 180.0° | 180.0° |
C06 | N05 | C04 | C02 | 180.0° | 179.8° |
N05 | C06 | C07 | H071 | 0.0° | 0.2° |
C12 | C13 | N14 | H131 | 120.3° | 120.0° |
C12 | C13 | N14 | H132 | 120.2° | 120.0° |
C13 | C12 | C04 | N05 | 179.7° | 180.0° |
C13 | C12 | C04 | C02 | 0.4° | 0.0° |
C12 | C13 | N14 | C15 | 104.9° | 180.0° |
C12 | C13 | H131 | H132 | 119.2° | 120.1° |
C12 | C13 | N14 | H141 | 75.2° | 0.0° |
C04 | C12 | C13 | N14 | 73.0° | 90.0° |
C12 | C04 | N05 | C02 | 179.9° | 180.0° |
C12 | C04 | C02 | O03 | 159.4° | 0.1° |
C12 | C04 | C02 | O01 | 20.9° | 180.0° |
C04 | C12 | C13 | H131 | 166.8° | 150.0° |
C04 | C12 | C13 | H132 | 47.3° | 29.9° |
C12 | C04 | N05 | H051 | 179.9° | 179.9° |
C13 | N14 | C15 | O16 | 0.1° | 0.0° |
C13 | N14 | C15 | H141 | 180.0° | 180.0° |
C13 | N14 | C15 | C17 | 179.0° | 180.0° |
N14 | C13 | H131 | H132 | 119.2° | 120.0° |
N05 | C04 | C02 | O03 | 20.7° | 180.0° |
N05 | C04 | C02 | O01 | 159.0° | 0.0° |
C04 | C02 | O03 | O01 | 179.7° | 179.9° |
C02 | C04 | N05 | H051 | 0.0° | 0.2° |
C04 | C02 | O01 | H2 | 179.7° | 180.0° |
O16 | C15 | N14 | C17 | 179.1° | 180.0° |
O16 | C15 | C17 | C26 | 43.5° | 0.1° |
O16 | C15 | C17 | C18 | 137.4° | 180.0° |
O16 | C15 | N14 | H141 | 180.0° | 180.0° |
N14 | C15 | C17 | C26 | 135.6° | 180.0° |
N14 | C15 | C17 | C18 | 43.5° | 0.1° |
C15 | N14 | C13 | H131 | 15.4° | 60.0° |
C15 | N14 | C13 | H132 | 134.9° | 60.0° |
O03 | C02 | O01 | H2 | 0.0° | 0.0° |
C15 | C17 | C26 | C18 | 179.1° | 179.9° |
C15 | C17 | C26 | C25 | 179.7° | 180.0° |
C15 | C17 | C18 | C19 | 179.7° | 179.9° |
C15 | C17 | C18 | H181 | 0.3° | 0.2° |
C15 | C17 | C26 | H261 | 0.3° | 0.1° |
C17 | C15 | N14 | H141 | 1.0° | 0.0° |
C17 | C26 | C25 | H261 | 180.0° | 179.9° |
C26 | C17 | C18 | C19 | 0.6° | 0.0° |
C17 | C26 | C25 | N24 | 179.6° | 179.9° |
C17 | C26 | C25 | C20 | 0.4° | 0.2° |
C26 | C17 | C18 | H181 | 179.4° | 179.7° |
C18 | C17 | C26 | C25 | 0.6° | 0.1° |
C17 | C18 | C19 | H181 | 180.0° | 179.7° |
C17 | C18 | C19 | C20 | 0.3° | 0.3° |
C17 | C18 | C19 | H191 | 179.7° | 179.7° |
C18 | C17 | C26 | H261 | 179.4° | 179.9° |
C26 | C25 | N24 | C20 | 180.0° | 179.9° |
C26 | C25 | N24 | C22 | 180.0° | 179.4° |
C26 | C25 | C20 | C19 | 0.1° | 0.5° |
C26 | C25 | C20 | N21 | 180.0° | 179.9° |
C18 | C19 | C20 | C25 | 0.1° | 0.5° |
C18 | C19 | C20 | H191 | 180.0° | 180.0° |
C18 | C19 | C20 | N21 | 179.9° | 179.9° |
N24 | C25 | C20 | C19 | 179.9° | 179.6° |
N24 | C25 | C20 | N21 | 0.0° | 0.0° |
C25 | N24 | C22 | N21 | 0.0° | 0.9° |
C25 | N24 | C22 | O23 | 179.9° | 179.9° |
N24 | C25 | C26 | H261 | 0.4° | 0.2° |
C20 | C25 | N24 | C22 | 0.0° | 0.5° |
C25 | C20 | C19 | N21 | 179.8° | 179.4° |
C25 | C20 | N21 | C22 | 0.0° | 0.5° |
C25 | C20 | C19 | H191 | 180.0° | 179.5° |
C20 | C25 | C26 | H261 | 179.6° | 179.7° |
C25 | C20 | N21 | H211 | 180.0° | 179.5° |
N24 | C22 | N21 | C20 | 0.0° | 0.9° |
N24 | C22 | N21 | O23 | 179.8° | 179.1° |
N24 | C22 | N21 | H211 | 180.0° | 179.2° |
N24 | C22 | O23 | H231 | 0.0° | 91.0° |
C19 | C20 | N21 | C22 | 179.9° | 180.0° |
C20 | C19 | C18 | H181 | 179.7° | 180.0° |
C19 | C20 | N21 | H211 | 0.1° | 0.1° |
C20 | N21 | C22 | H211 | 180.0° | 179.9° |
C20 | N21 | C22 | O23 | 179.8° | 179.9° |
N21 | C20 | C19 | H191 | 0.1° | 0.0° |
N21 | C22 | O23 | H231 | 179.8° | 90.1° |
O23 | C22 | N21 | H211 | 0.2° | 0.1° |
H181 | C18 | C19 | H191 | 0.3° | 0.0° |
H131 | C13 | N14 | H141 | 164.6° | 120.0° |
H132 | C13 | N14 | H141 | 45.1° | 120.0° |
H101 | C10 | C09 | H091 | 0.0° | 0.0° |
H071 | C07 | C08 | H081 | 0.1° | 0.1° |
H081 | C08 | C09 | H091 | 0.1° | 0.1° |