9V0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C16 | doub | 1.42Å | 1.40Å | Aromatic |
| C23 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.42Å | 1.41Å | Aromatic |
| C16 | N17 | sing | 1.32Å | 1.40Å | |
| C15 | C14 | sing | 1.51Å | 1.48Å | |
| N19 | N18 | doub | 1.12Å | 1.14Å | |
| N18 | N17 | doub | 1.12Å | 1.29Å | |
| C14 | O13 | sing | 1.45Å | 1.43Å | |
| O12 | C11 | doub | 1.21Å | 1.22Å | |
| NZ | C11 | sing | 1.35Å | 1.46Å | |
| NZ | CE | sing | 1.46Å | 1.45Å | |
| C11 | O13 | sing | 1.35Å | 1.43Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| CD | CG | sing | 1.53Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.36Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | 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 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | 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) |
| C22 | C21 | C20 | 119.2° | 120.3° |
| C21 | C22 | C23 | 120.7° | 120.7° |
| C22 | C21 | H21 | 120.4° | 119.8° |
| C21 | C22 | H22 | 119.7° | 119.6° |
| C21 | C20 | C16 | 120.6° | 119.6° |
| C21 | C20 | H20 | 119.7° | 120.2° |
| C20 | C21 | H21 | 120.4° | 119.8° |
| C22 | C23 | C15 | 120.8° | 120.4° |
| C23 | C22 | H22 | 119.7° | 119.7° |
| C22 | C23 | H23 | 119.6° | 119.8° |
| C20 | C16 | C15 | 120.2° | 119.3° |
| C20 | C16 | N17 | 116.5° | 120.3° |
| C16 | C20 | H20 | 119.7° | 120.2° |
| C23 | C15 | C16 | 118.5° | 119.6° |
| C23 | C15 | C14 | 117.5° | 120.2° |
| C15 | C23 | H23 | 119.6° | 119.8° |
| C15 | C16 | N17 | 123.4° | 120.3° |
| C16 | C15 | C14 | 124.0° | 120.2° |
| C16 | N17 | N18 | 114.8° | 120.0° |
| C15 | C14 | O13 | 111.9° | 109.5° |
| C15 | C14 | H13 | 108.9° | 109.5° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| N19 | N18 | N17 | 178.5° | 179.9° |
| C14 | O13 | C11 | 114.7° | 117.0° |
| O13 | C14 | H13 | 108.9° | 109.4° |
| O13 | C14 | H14 | 108.9° | 109.4° |
| O12 | C11 | NZ | 119.6° | 120.0° |
| O12 | C11 | O13 | 122.1° | 120.0° |
| C11 | NZ | CE | 120.5° | 120.0° |
| NZ | C11 | O13 | 118.3° | 120.0° |
| C11 | NZ | HZ | 119.8° | 120.0° |
| NZ | CE | CD | 108.1° | 109.5° |
| NZ | CE | HE2 | 109.8° | 109.5° |
| NZ | CE | HE3 | 109.8° | 109.5° |
| CE | NZ | HZ | 119.7° | 120.0° |
| CE | CD | CG | 113.6° | 109.5° |
| CE | CD | HD2 | 108.4° | 109.5° |
| CE | CD | HD3 | 108.4° | 109.5° |
| CD | CE | HE2 | 109.8° | 109.4° |
| CD | CE | HE3 | 109.8° | 109.5° |
| CD | CG | CB | 114.1° | 109.5° |
| CD | CG | HG2 | 108.3° | 109.4° |
| CD | CG | HG3 | 108.3° | 109.4° |
| CG | CD | HD2 | 108.4° | 109.5° |
| CG | CD | HD3 | 108.4° | 109.5° |
| CG | CB | CA | 113.0° | 109.4° |
| CG | CB | HB2 | 108.6° | 109.5° |
| CG | CB | HB3 | 108.6° | 109.5° |
| CB | CG | HG2 | 108.3° | 109.5° |
| CB | CG | HG3 | 108.3° | 109.5° |
| O | C | CA | 122.1° | 120.0° |
| O | C | OXT | 119.1° | 120.0° |
| CB | CA | C | 114.4° | 109.4° |
| CB | CA | N | 109.7° | 109.5° |
| CB | CA | HA | 107.9° | 109.5° |
| CA | CB | HB2 | 108.6° | 109.5° |
| CA | CB | HB3 | 108.6° | 109.5° |
| CA | C | OXT | 118.8° | 120.0° |
| C | CA | N | 108.2° | 109.4° |
| C | CA | HA | 107.8° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | HA | 108.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| 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° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H21 | 180.0° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C22 | C21 | C20 | C16 | 0.6° | 0.3° |
| C21 | C22 | C23 | C15 | 0.0° | 0.0° |
| C22 | C21 | C20 | H20 | 179.3° | 179.7° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.4° | 0.3° |
| C21 | C20 | C16 | H20 | 180.0° | 180.0° |
| C21 | C20 | C16 | C15 | 0.5° | 0.0° |
| C21 | C20 | C16 | N17 | 179.4° | 180.0° |
| C20 | C21 | C22 | H22 | 179.6° | 180.0° |
| C22 | C23 | C15 | H23 | 180.0° | 180.0° |
| C22 | C23 | C15 | C16 | 0.2° | 0.2° |
| C22 | C23 | C15 | C14 | 179.7° | 180.0° |
| C23 | C22 | C21 | H21 | 179.6° | 180.0° |
| C20 | C16 | C15 | C23 | 0.0° | 0.2° |
| C20 | C16 | C15 | N17 | 179.9° | 180.0° |
| C20 | C16 | C15 | C14 | 179.4° | 180.0° |
| C20 | C16 | N17 | N18 | 0.3° | 0.0° |
| C16 | C20 | C21 | H21 | 179.4° | 180.0° |
| C23 | C15 | C16 | C14 | 179.5° | 179.8° |
| C23 | C15 | C16 | N17 | 179.8° | 179.8° |
| C23 | C15 | C14 | O13 | 139.2° | 0.2° |
| C15 | C23 | C22 | H22 | 180.0° | 179.7° |
| C23 | C15 | C14 | H13 | 18.9° | 119.7° |
| C23 | C15 | C14 | H14 | 100.4° | 120.3° |
| C15 | C16 | N17 | N18 | 179.9° | 180.0° |
| C16 | C15 | C14 | O13 | 41.3° | 180.0° |
| C15 | C16 | C20 | H20 | 179.5° | 180.0° |
| C16 | C15 | C14 | H13 | 161.6° | 60.0° |
| C16 | C15 | C14 | H14 | 79.1° | 60.0° |
| C16 | C15 | C23 | H23 | 179.8° | 179.8° |
| N17 | C16 | C15 | C14 | 0.7° | 0.0° |
| C16 | N17 | N18 | N19 | 4.6° | 112.4° |
| N17 | C16 | C20 | H20 | 0.6° | 0.0° |
| C15 | C14 | O13 | H13 | 120.4° | 120.0° |
| C15 | C14 | O13 | H14 | 120.4° | 120.1° |
| C15 | C14 | O13 | C11 | 86.6° | 180.0° |
| C15 | C14 | H13 | H14 | 118.9° | 120.1° |
| C14 | C15 | C23 | H23 | 0.3° | 0.0° |
| C14 | O13 | C11 | O12 | 44.8° | 0.0° |
| C14 | O13 | C11 | NZ | 134.9° | 180.0° |
| O13 | C14 | H13 | H14 | 118.9° | 119.9° |
| O12 | C11 | NZ | O13 | 179.7° | 179.9° |
| O12 | C11 | NZ | CE | 25.1° | 0.1° |
| O12 | C11 | NZ | HZ | 154.9° | 180.0° |
| C11 | NZ | CE | HZ | 180.0° | 179.9° |
| C11 | NZ | CE | CD | 116.4° | 179.9° |
| C11 | NZ | CE | HE2 | 123.8° | 60.0° |
| C11 | NZ | CE | HE3 | 3.4° | 60.0° |
| CE | NZ | C11 | O13 | 155.3° | 180.0° |
| NZ | CE | CD | HE2 | 119.8° | 120.0° |
| NZ | CE | CD | HE3 | 119.8° | 120.0° |
| NZ | CE | CD | CG | 168.5° | 180.0° |
| NZ | CE | CD | HD2 | 70.9° | 60.0° |
| NZ | CE | CD | HD3 | 47.8° | 59.9° |
| NZ | CE | HE2 | HE3 | 120.6° | 120.0° |
| C11 | O13 | C14 | H13 | 33.8° | 60.0° |
| C11 | O13 | C14 | H14 | 153.1° | 59.9° |
| O13 | C11 | NZ | HZ | 24.7° | 0.1° |
| CE | CD | CG | HD2 | 120.6° | 120.0° |
| CE | CD | CG | HD3 | 120.6° | 120.1° |
| CE | CD | CG | CB | 177.1° | 180.0° |
| CE | CD | CG | HG2 | 62.2° | 60.0° |
| CE | CD | CG | HG3 | 56.5° | 59.9° |
| CE | CD | HD2 | HD3 | 118.1° | 120.0° |
| CD | CE | HE2 | HE3 | 120.6° | 120.0° |
| CD | CE | NZ | HZ | 63.6° | 0.0° |
| CD | CG | CB | HG2 | 120.7° | 120.0° |
| CD | CG | CB | HG3 | 120.7° | 120.0° |
| CD | CG | CB | CA | 37.5° | 180.0° |
| CD | CG | CB | HB2 | 158.0° | 60.0° |
| CD | CG | CB | HB3 | 83.0° | 60.0° |
| CD | CG | HG2 | HG3 | 117.9° | 119.9° |
| CG | CD | HD2 | HD3 | 118.1° | 120.0° |
| CG | CD | CE | HE2 | 48.7° | 60.1° |
| CG | CD | CE | HE3 | 71.7° | 60.0° |
| CG | CB | CA | HB2 | 120.5° | 120.0° |
| CG | CB | CA | HB3 | 120.5° | 120.0° |
| CG | CB | CA | C | 113.9° | 175.0° |
| CG | CB | CA | N | 124.3° | 65.0° |
| CG | CB | CA | HA | 6.0° | 55.1° |
| CG | CB | HB2 | HB3 | 118.4° | 120.0° |
| CB | CG | HG2 | HG3 | 117.9° | 120.1° |
| CB | CG | CD | HD2 | 56.5° | 60.0° |
| CB | CG | CD | HD3 | 62.3° | 59.9° |
| O | C | CA | CB | 29.8° | 100.0° |
| O | C | CA | OXT | 179.4° | 180.0° |
| O | C | CA | N | 152.4° | 20.0° |
| O | C | CA | HA | 90.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CB | CA | C | N | 122.6° | 120.0° |
| CB | CA | C | HA | 120.0° | 120.0° |
| CB | CA | C | OXT | 150.9° | 80.0° |
| CB | CA | N | HA | 117.7° | 120.0° |
| CA | CB | HB2 | HB3 | 118.4° | 120.0° |
| CA | CB | CG | HG2 | 83.1° | 60.0° |
| CA | CB | CG | HG3 | 158.2° | 60.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| C | CA | N | HA | 116.8° | 120.0° |
| C | CA | CB | HB2 | 6.6° | 65.0° |
| C | CA | CB | HB3 | 125.5° | 55.0° |
| C | CA | N | H | 54.6° | 60.0° |
| C | CA | N | H2 | 65.4° | 176.1° |
| CA | C | OXT | HXT | 179.4° | 180.0° |
| OXT | C | CA | N | 28.2° | 160.0° |
| OXT | C | CA | HA | 89.1° | 40.0° |
| N | CA | CB | HB2 | 115.2° | 55.0° |
| N | CA | CB | HB3 | 3.8° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| H20 | C20 | C21 | H21 | 0.6° | 0.0° |
| H21 | C21 | C22 | H22 | 0.4° | 0.3° |
| H22 | C22 | C23 | H23 | 0.1° | 0.3° |
| HA | CA | CB | HB2 | 126.5° | 175.0° |
| HA | CA | CB | HB3 | 114.5° | 64.9° |
| HA | CA | N | H | 62.3° | 180.0° |
| HA | CA | N | H2 | 177.8° | 56.1° |
| HB2 | CB | CG | HG2 | 37.4° | 180.0° |
| HB2 | CB | CG | HG3 | 81.3° | 60.0° |
| HB3 | CB | CG | HG2 | 156.3° | 60.0° |
| HB3 | CB | CG | HG3 | 37.7° | 180.0° |
| HG2 | CG | CD | HD2 | 177.2° | 180.0° |
| HG2 | CG | CD | HD3 | 58.4° | 60.1° |
| HG3 | CG | CD | HD2 | 64.1° | 60.1° |
| HG3 | CG | CD | HD3 | 177.1° | 180.0° |
| HD2 | CD | CE | HE2 | 169.3° | 179.9° |
| HD2 | CD | CE | HE3 | 48.9° | 60.0° |
| HD3 | CD | CE | HE2 | 71.9° | 60.0° |
| HD3 | CD | CE | HE3 | 167.7° | 180.0° |
| HE2 | CE | NZ | HZ | 56.2° | 119.9° |
| HE3 | CE | NZ | HZ | 176.6° | 120.0° |
