Z02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C10 | sing | 1.48Å | 1.29Å | |
| N01 | O19 | sing | 1.22Å | 1.33Å | |
| N01 | O20 | doub | 1.22Å | 1.32Å | |
| N02 | C11 | sing | 1.35Å | 1.38Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N02 | HN0A | sing | 0.97Å | 1.00Å | |
| N03 | C07 | sing | 1.39Å | 1.30Å | |
| N03 | C12 | sing | 1.46Å | 1.51Å | |
| N03 | HN03 | sing | 0.97Å | 1.00Å | |
| N04 | C13 | doub | 1.32Å | 1.38Å | Aromatic |
| N04 | C14 | sing | 1.32Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | C07 | sing | 1.40Å | 1.45Å | Aromatic |
| C06 | C11 | sing | 1.48Å | 1.39Å | |
| C07 | C08 | doub | 1.39Å | 1.44Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | O18 | doub | 1.22Å | 1.21Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N01 | O19 | 121.3° | 120.0° |
| C10 | N01 | O20 | 120.3° | 120.0° |
| N01 | C10 | C05 | 120.5° | 119.8° |
| N01 | C10 | C09 | 120.5° | 119.8° |
| O19 | N01 | O20 | 118.4° | 120.0° |
| C11 | N02 | HN02 | 120.0° | 120.0° |
| C11 | N02 | HN0A | 120.0° | 120.1° |
| N02 | C11 | C06 | 120.0° | 120.0° |
| N02 | C11 | O18 | 118.4° | 120.0° |
| HN02 | N02 | HN0A | 120.0° | 119.9° |
| C07 | N03 | C12 | 124.1° | 120.0° |
| C07 | N03 | HN03 | 104.8° | 120.0° |
| N03 | C07 | C06 | 120.3° | 120.2° |
| N03 | C07 | C08 | 121.0° | 120.2° |
| C12 | N03 | HN03 | 104.9° | 120.0° |
| N03 | C12 | C13 | 112.4° | 109.5° |
| N03 | C12 | H12 | 108.5° | 109.4° |
| N03 | C12 | H12A | 108.5° | 109.5° |
| C13 | N04 | C14 | 117.9° | 121.7° |
| N04 | C13 | C12 | 117.8° | 119.6° |
| N04 | C13 | C17 | 122.5° | 120.8° |
| N04 | C14 | C15 | 123.3° | 120.8° |
| N04 | C14 | H14 | 118.4° | 119.7° |
| C06 | C05 | C10 | 121.7° | 119.9° |
| C06 | C05 | H05 | 119.1° | 120.1° |
| C05 | C06 | C07 | 119.0° | 119.6° |
| C05 | C06 | C11 | 118.4° | 120.2° |
| C10 | C05 | H05 | 119.2° | 120.0° |
| C05 | C10 | C09 | 119.0° | 120.4° |
| C07 | C06 | C11 | 122.6° | 120.2° |
| C06 | C07 | C08 | 118.7° | 119.7° |
| C06 | C11 | O18 | 121.6° | 120.0° |
| C07 | C08 | C09 | 121.0° | 120.0° |
| C07 | C08 | H08 | 119.5° | 120.0° |
| C09 | C08 | H08 | 119.5° | 120.0° |
| C08 | C09 | C10 | 120.5° | 120.4° |
| C08 | C09 | H09 | 119.7° | 119.8° |
| C10 | C09 | H09 | 119.8° | 119.8° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H12A | 108.5° | 109.5° |
| C12 | C13 | C17 | 119.7° | 119.7° |
| H12 | C12 | H12A | 110.4° | 109.5° |
| C13 | C17 | C16 | 118.2° | 119.2° |
| C13 | C17 | H17 | 120.9° | 120.4° |
| C15 | C14 | H14 | 118.3° | 119.6° |
| C14 | C15 | C16 | 117.6° | 119.2° |
| C14 | C15 | H15 | 121.2° | 120.5° |
| C16 | C15 | H15 | 121.2° | 120.4° |
| C15 | C16 | C17 | 120.5° | 118.4° |
| C15 | C16 | H16 | 119.8° | 120.8° |
| C17 | C16 | H16 | 119.7° | 120.8° |
| C16 | C17 | H17 | 120.9° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N01 | O19 | O20 | 179.9° | 179.7° |
| N01 | C10 | C05 | C06 | 179.9° | 180.0° |
| N01 | C10 | C05 | C09 | 179.9° | 179.9° |
| N01 | C10 | C05 | H05 | 0.1° | 0.2° |
| N01 | C10 | C09 | C08 | 179.9° | 180.0° |
| N01 | C10 | C09 | H09 | 0.1° | 0.1° |
| O19 | N01 | C10 | C05 | 9.3° | 0.1° |
| O19 | N01 | C10 | C09 | 170.7° | 180.0° |
| O20 | N01 | C10 | C05 | 170.7° | 179.7° |
| O20 | N01 | C10 | C09 | 9.4° | 0.3° |
| C11 | N02 | HN02 | HN0A | 180.0° | 180.0° |
| N02 | C11 | C06 | C05 | 26.3° | 5.9° |
| N02 | C11 | C06 | C07 | 153.3° | 174.1° |
| N02 | C11 | C06 | O18 | 179.3° | 180.0° |
| HN02 | N02 | C11 | C06 | 179.3° | 0.0° |
| HN02 | N02 | C11 | O18 | 0.0° | 180.0° |
| HN0A | N02 | C11 | C06 | 0.7° | 180.0° |
| HN0A | N02 | C11 | O18 | 180.0° | 0.1° |
| C07 | N03 | C12 | HN03 | 120.0° | 180.0° |
| N03 | C07 | C06 | C05 | 179.9° | 180.0° |
| N03 | C07 | C06 | C08 | 179.9° | 179.9° |
| N03 | C07 | C06 | C11 | 0.5° | 0.1° |
| N03 | C07 | C08 | C09 | 179.9° | 180.0° |
| N03 | C07 | C08 | H08 | 0.1° | 0.0° |
| C07 | N03 | C12 | C13 | 95.3° | 179.9° |
| C07 | N03 | C12 | H12 | 144.7° | 60.0° |
| C07 | N03 | C12 | H12A | 24.7° | 60.0° |
| N03 | C12 | C13 | N04 | 158.5° | 85.0° |
| C12 | N03 | C07 | C06 | 167.9° | 174.5° |
| C12 | N03 | C07 | C08 | 12.2° | 5.6° |
| N03 | C12 | C13 | H12 | 120.0° | 120.0° |
| N03 | C12 | C13 | H12A | 120.0° | 120.0° |
| N03 | C12 | H12 | H12A | 118.8° | 120.0° |
| N03 | C12 | C13 | C17 | 21.4° | 95.0° |
| HN03 | N03 | C07 | C06 | 72.1° | 5.5° |
| HN03 | N03 | C07 | C08 | 107.8° | 174.4° |
| HN03 | N03 | C12 | C13 | 24.7° | 0.0° |
| HN03 | N03 | C12 | H12 | 95.3° | 120.0° |
| HN03 | N03 | C12 | H12A | 144.7° | 120.0° |
| N04 | C13 | C12 | C17 | 179.9° | 180.0° |
| N04 | C13 | C12 | H12 | 81.5° | 155.0° |
| N04 | C13 | C12 | H12A | 38.5° | 35.0° |
| C13 | N04 | C14 | C15 | 0.1° | 0.1° |
| C13 | N04 | C14 | H14 | 179.9° | 180.0° |
| N04 | C13 | C17 | C16 | 0.1° | 0.0° |
| N04 | C13 | C17 | H17 | 179.9° | 180.0° |
| C14 | N04 | C13 | C12 | 180.0° | 180.0° |
| C14 | N04 | C13 | C17 | 0.0° | 0.1° |
| N04 | C14 | C15 | H14 | 180.0° | 179.9° |
| N04 | C14 | C15 | C16 | 0.1° | 0.1° |
| N04 | C14 | C15 | H15 | 180.0° | 180.0° |
| C06 | C05 | C10 | H05 | 180.0° | 179.8° |
| C05 | C06 | C07 | C11 | 179.7° | 180.0° |
| C05 | C06 | C07 | C08 | 0.1° | 0.1° |
| C06 | C05 | C10 | C09 | 0.0° | 0.0° |
| C05 | C06 | C11 | O18 | 154.4° | 174.1° |
| C10 | C05 | C06 | C07 | 0.0° | 0.0° |
| C10 | C05 | C06 | C11 | 179.6° | 180.0° |
| C05 | C10 | C09 | C08 | 0.0° | 0.0° |
| C05 | C10 | C09 | H09 | 180.0° | 180.0° |
| H05 | C05 | C06 | C07 | 180.0° | 179.8° |
| H05 | C05 | C06 | C11 | 0.4° | 0.2° |
| H05 | C05 | C10 | C09 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 0.0° | 0.1° |
| C06 | C07 | C08 | H08 | 180.0° | 179.9° |
| C07 | C06 | C11 | O18 | 25.9° | 5.9° |
| C11 | C06 | C07 | C08 | 179.6° | 180.0° |
| C07 | C08 | C09 | H08 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.0° | 0.1° |
| C07 | C08 | C09 | H09 | 180.0° | 180.0° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| H08 | C08 | C09 | C10 | 180.0° | 179.9° |
| H08 | C08 | C09 | H09 | 0.0° | 0.0° |
| C13 | C12 | H12 | H12A | 118.8° | 120.0° |
| C12 | C13 | C17 | C16 | 179.8° | 180.0° |
| C12 | C13 | C17 | H17 | 0.2° | 0.0° |
| H12 | C12 | C13 | C17 | 98.5° | 24.9° |
| H12A | C12 | C13 | C17 | 141.4° | 145.0° |
| C13 | C17 | C16 | C15 | 0.1° | 0.0° |
| C13 | C17 | C16 | H17 | 180.0° | 180.0° |
| C13 | C17 | C16 | H16 | 179.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
