9VC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | O13 | sing | 1.45Å | 1.45Å | |
| NZ | CE | sing | 1.47Å | 1.48Å | |
| NZ | C11 | sing | 1.35Å | 1.44Å | |
| O13 | C11 | sing | 1.35Å | 1.42Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| C11 | O12 | doub | 1.22Å | 1.22Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.36Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| C | OXT | sing | 1.34Å | 1.36Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| NZ | HZ | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 119.5° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C17 | C16 | C15 | 120.9° | 120.0° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C17 | C16 | H16 | 119.6° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | H18 | 120.0° | 119.9° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C16 | C15 | C20 | 119.4° | 120.0° |
| C16 | C15 | C14 | 120.3° | 120.0° |
| C15 | C16 | H16 | 119.6° | 120.0° |
| C19 | C20 | C15 | 119.8° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C20 | C15 | C14 | 120.3° | 120.0° |
| C15 | C20 | H20 | 120.1° | 120.0° |
| C15 | C14 | O13 | 108.6° | 109.5° |
| C15 | C14 | H12 | 109.7° | 109.5° |
| C15 | C14 | H13 | 109.7° | 109.5° |
| C14 | O13 | C11 | 113.4° | 117.0° |
| O13 | C14 | H12 | 109.7° | 109.5° |
| O13 | C14 | H13 | 109.7° | 109.4° |
| CE | NZ | C11 | 118.5° | 120.0° |
| NZ | CE | CD | 110.5° | 109.5° |
| NZ | CE | HE2 | 109.2° | 109.4° |
| NZ | CE | HE3 | 109.2° | 109.5° |
| CE | NZ | HZ | 120.8° | 119.9° |
| NZ | C11 | O13 | 121.6° | 120.0° |
| NZ | C11 | O12 | 119.5° | 120.0° |
| C11 | NZ | HZ | 120.7° | 120.0° |
| O13 | C11 | O12 | 118.9° | 120.0° |
| CE | CD | CG | 113.2° | 109.5° |
| CE | CD | HD2 | 108.6° | 109.4° |
| CE | CD | HD3 | 108.5° | 109.5° |
| CD | CE | HE2 | 109.2° | 109.4° |
| CD | CE | HE3 | 109.2° | 109.5° |
| CD | CG | CB | 111.1° | 109.4° |
| CD | CG | HG2 | 109.1° | 109.5° |
| CD | CG | HG3 | 109.1° | 109.5° |
| CG | CD | HD2 | 108.5° | 109.4° |
| CG | CD | HD3 | 108.5° | 109.5° |
| CG | CB | CA | 111.9° | 109.4° |
| CG | CB | HB2 | 108.9° | 109.5° |
| CG | CB | HB3 | 108.8° | 109.5° |
| CB | CG | HG2 | 109.1° | 109.5° |
| CB | CG | HG3 | 109.0° | 109.5° |
| O | C | CA | 122.0° | 120.0° |
| O | C | OXT | 119.1° | 120.1° |
| CA | C | OXT | 118.9° | 120.0° |
| C | CA | CB | 114.4° | 109.5° |
| C | CA | N | 107.8° | 109.5° |
| C | CA | HA | 107.6° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB | CA | N | 110.8° | 109.4° |
| CB | CA | HA | 107.6° | 109.5° |
| CA | CB | HB2 | 108.8° | 109.5° |
| CA | CB | HB3 | 108.8° | 109.4° |
| N | CA | HA | 108.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.4° |
| HE2 | CE | HE3 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H17 | 180.0° | 179.2° |
| C17 | C18 | C19 | H18 | 180.0° | 179.2° |
| C18 | C17 | C16 | C15 | 1.3° | 0.5° |
| C17 | C18 | C19 | C20 | 0.3° | 0.6° |
| C18 | C17 | C16 | H16 | 178.7° | 179.5° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.9° | 0.8° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 1.0° | 0.0° |
| C17 | C16 | C15 | C14 | 180.0° | 179.7° |
| C16 | C17 | C18 | H18 | 179.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.4° |
| C18 | C19 | C20 | C15 | 0.0° | 0.1° |
| C19 | C18 | C17 | H17 | 179.0° | 180.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C16 | C15 | C20 | C19 | 0.4° | 0.3° |
| C16 | C15 | C20 | C14 | 179.0° | 179.7° |
| C16 | C15 | C14 | O13 | 156.0° | 89.7° |
| C15 | C16 | C17 | H17 | 178.7° | 179.7° |
| C16 | C15 | C20 | H20 | 179.6° | 179.7° |
| C16 | C15 | C14 | H12 | 36.1° | 30.3° |
| C16 | C15 | C14 | H13 | 84.1° | 150.3° |
| C19 | C20 | C15 | H20 | 180.0° | 180.0° |
| C19 | C20 | C15 | C14 | 179.4° | 179.9° |
| C20 | C19 | C18 | H18 | 179.7° | 179.8° |
| C20 | C15 | C14 | O13 | 25.0° | 90.0° |
| C20 | C15 | C14 | H12 | 144.9° | 150.0° |
| C20 | C15 | C14 | H13 | 94.9° | 30.0° |
| C20 | C15 | C16 | H16 | 179.0° | 180.0° |
| C15 | C20 | C19 | H19 | 180.0° | 179.4° |
| C15 | C14 | O13 | H12 | 119.9° | 120.0° |
| C15 | C14 | O13 | H13 | 119.9° | 120.0° |
| C15 | C14 | O13 | C11 | 97.8° | 180.0° |
| C14 | C15 | C20 | H20 | 0.6° | 0.0° |
| C15 | C14 | H12 | H13 | 120.4° | 120.0° |
| C14 | C15 | C16 | H16 | 0.0° | 0.3° |
| C14 | O13 | C11 | NZ | 95.9° | 180.0° |
| C14 | O13 | C11 | O12 | 83.3° | 0.1° |
| O13 | C14 | H12 | H13 | 120.4° | 120.0° |
| CE | NZ | C11 | HZ | 180.0° | 179.9° |
| CE | NZ | C11 | O13 | 172.0° | 180.0° |
| NZ | CE | CD | HE2 | 120.1° | 120.0° |
| NZ | CE | CD | HE3 | 120.1° | 120.1° |
| CE | NZ | C11 | O12 | 8.9° | 0.1° |
| NZ | CE | CD | CG | 165.3° | 180.0° |
| NZ | CE | CD | HD2 | 74.1° | 60.0° |
| NZ | CE | CD | HD3 | 44.7° | 59.9° |
| NZ | CE | HE2 | HE3 | 119.5° | 120.0° |
| NZ | C11 | O13 | O12 | 179.1° | 179.9° |
| C11 | NZ | CE | CD | 59.9° | 180.0° |
| C11 | NZ | CE | HE2 | 180.0° | 60.0° |
| C11 | NZ | CE | HE3 | 60.3° | 59.9° |
| C11 | O13 | C14 | H12 | 22.1° | 60.0° |
| C11 | O13 | C14 | H13 | 142.4° | 60.0° |
| O13 | C11 | NZ | HZ | 8.0° | 0.1° |
| CE | CD | CG | HD2 | 120.6° | 120.0° |
| CE | CD | CG | HD3 | 120.5° | 120.1° |
| CE | CD | CG | CB | 153.9° | 180.0° |
| CE | CD | CG | HG2 | 33.6° | 60.0° |
| CE | CD | CG | HG3 | 85.9° | 60.0° |
| CE | CD | HD2 | HD3 | 118.3° | 120.0° |
| CD | CE | HE2 | HE3 | 119.5° | 120.0° |
| CD | CE | NZ | HZ | 120.2° | 0.1° |
| O12 | C11 | NZ | HZ | 171.1° | 180.0° |
| CD | CG | CB | HG2 | 120.3° | 120.0° |
| CD | CG | CB | HG3 | 120.3° | 120.0° |
| CD | CG | CB | CA | 73.4° | 180.0° |
| CD | CG | CB | HB2 | 166.3° | 60.0° |
| CD | CG | CB | HB3 | 47.0° | 60.0° |
| CD | CG | HG2 | HG3 | 119.3° | 120.0° |
| CG | CD | HD2 | HD3 | 118.3° | 120.0° |
| CG | CD | CE | HE2 | 45.1° | 60.0° |
| CG | CD | CE | HE3 | 74.6° | 59.9° |
| CG | CB | CA | C | 86.8° | 175.0° |
| CG | CB | CA | HB2 | 120.4° | 120.0° |
| CG | CB | CA | HB3 | 120.3° | 120.0° |
| CG | CB | CA | N | 151.1° | 65.0° |
| CG | CB | CA | HA | 32.7° | 55.0° |
| CG | CB | HB2 | HB3 | 118.9° | 120.0° |
| CB | CG | HG2 | HG3 | 119.2° | 120.0° |
| CB | CG | CD | HD2 | 85.5° | 60.0° |
| CB | CG | CD | HD3 | 33.4° | 59.9° |
| O | C | CA | OXT | 179.7° | 180.0° |
| O | C | CA | CB | 19.6° | 99.9° |
| O | C | CA | N | 143.3° | 20.0° |
| O | C | CA | HA | 99.9° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | CB | N | 122.1° | 120.0° |
| C | CA | CB | HA | 119.5° | 120.0° |
| C | CA | N | HA | 116.2° | 120.0° |
| C | CA | CB | HB2 | 33.6° | 65.0° |
| C | CA | CB | HB3 | 152.9° | 55.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 179.7° | 180.0° |
| OXT | C | CA | CB | 160.6° | 80.0° |
| OXT | C | CA | N | 36.9° | 160.0° |
| OXT | C | CA | HA | 79.9° | 40.0° |
| CB | CA | N | HA | 117.9° | 120.0° |
| CA | CB | HB2 | HB3 | 118.9° | 120.0° |
| CA | CB | CG | HG2 | 46.9° | 60.0° |
| CA | CB | CG | HG3 | 166.4° | 60.1° |
| CB | CA | N | H | 54.1° | 176.1° |
| CB | CA | N | H2 | 174.1° | 60.0° |
| N | CA | CB | HB2 | 88.5° | 55.0° |
| N | CA | CB | HB3 | 30.8° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| H17 | C17 | C16 | H16 | 1.3° | 0.3° |
| H17 | C17 | C18 | H18 | 1.0° | 0.8° |
| H20 | C20 | C19 | H19 | 0.0° | 0.6° |
| HA | CA | CB | HB2 | 153.1° | 175.0° |
| HA | CA | CB | HB3 | 87.6° | 65.0° |
| HA | CA | N | H | 63.8° | 56.1° |
| HA | CA | N | H2 | 56.2° | 180.0° |
| HB2 | CB | CG | HG2 | 73.5° | 180.0° |
| HB2 | CB | CG | HG3 | 46.0° | 59.9° |
| HB3 | CB | CG | HG2 | 167.2° | 59.9° |
| HB3 | CB | CG | HG3 | 73.3° | NaN° |
| HG2 | CG | CD | HD2 | 154.2° | 180.0° |
| HG2 | CG | CD | HD3 | 86.9° | 60.1° |
| HG3 | CG | CD | HD2 | 34.7° | 60.0° |
| HG3 | CG | CD | HD3 | 153.6° | 179.9° |
| HD2 | CD | CE | HE2 | 165.7° | NaN° |
| HD2 | CD | CE | HE3 | 46.0° | 60.0° |
| HD3 | CD | CE | HE2 | 75.4° | 60.0° |
| HD3 | CD | CE | HE3 | 164.9° | NaN° |
| HE2 | CE | NZ | HZ | 0.0° | 120.0° |
| HE3 | CE | NZ | HZ | 119.7° | 120.0° |
| H18 | C18 | C19 | H19 | 0.3° | 0.9° |
