19Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C06 | sing | 1.39Å | 1.31Å | |
| N01 | C11 | sing | 1.46Å | 1.50Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N02 | C10 | sing | 1.35Å | 1.38Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N02 | HN0A | sing | 0.97Å | 1.00Å | |
| N03 | C09 | sing | 1.48Å | 1.28Å | |
| N03 | O20 | sing | 1.22Å | 1.33Å | |
| N03 | O21 | doub | 1.22Å | 1.32Å | |
| C04 | C05 | doub | 1.40Å | 1.43Å | Aromatic |
| C04 | C09 | sing | 1.38Å | 1.43Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | C06 | sing | 1.40Å | 1.45Å | Aromatic |
| C05 | C10 | sing | 1.47Å | 1.38Å | |
| C06 | C07 | doub | 1.39Å | 1.45Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | C09 | doub | 1.39Å | 1.43Å | Aromatic |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C10 | O18 | doub | 1.22Å | 1.21Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | O19 | sing | 1.36Å | 1.35Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | N01 | C11 | 124.4° | 120.0° |
| C06 | N01 | HN01 | 104.8° | 120.0° |
| N01 | C06 | C05 | 120.0° | 120.2° |
| N01 | C06 | C07 | 121.4° | 120.1° |
| C11 | N01 | HN01 | 104.7° | 120.0° |
| N01 | C11 | C12 | 110.4° | 109.5° |
| N01 | C11 | H11 | 109.2° | 109.4° |
| N01 | C11 | H11A | 109.2° | 109.5° |
| C10 | N02 | HN02 | 120.0° | 120.0° |
| C10 | N02 | HN0A | 120.0° | 120.0° |
| N02 | C10 | C05 | 119.3° | 120.0° |
| N02 | C10 | O18 | 119.1° | 120.0° |
| HN02 | N02 | HN0A | 120.0° | 119.9° |
| C09 | N03 | O20 | 120.8° | 119.9° |
| C09 | N03 | O21 | 120.6° | 120.0° |
| N03 | C09 | C04 | 120.3° | 119.8° |
| N03 | C09 | C08 | 120.7° | 119.8° |
| O20 | N03 | O21 | 118.6° | 120.0° |
| C05 | C04 | C09 | 121.6° | 119.9° |
| C05 | C04 | H04 | 119.2° | 120.0° |
| C04 | C05 | C06 | 119.4° | 119.6° |
| C04 | C05 | C10 | 118.3° | 120.2° |
| C09 | C04 | H04 | 119.2° | 120.0° |
| C04 | C09 | C08 | 119.0° | 120.3° |
| C06 | C05 | C10 | 122.3° | 120.2° |
| C05 | C06 | C07 | 118.5° | 119.6° |
| C05 | C10 | O18 | 121.6° | 120.0° |
| C06 | C07 | C08 | 121.0° | 120.0° |
| C06 | C07 | H07 | 119.5° | 120.0° |
| C08 | C07 | H07 | 119.5° | 120.0° |
| C07 | C08 | C09 | 120.5° | 120.4° |
| C07 | C08 | H08 | 119.7° | 119.8° |
| C09 | C08 | H08 | 119.8° | 119.8° |
| C12 | C11 | H11 | 109.2° | 109.4° |
| C12 | C11 | H11A | 109.2° | 109.5° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C11 | C12 | C17 | 119.6° | 119.9° |
| H11 | C11 | H11A | 109.8° | 109.5° |
| C13 | C12 | C17 | 120.0° | 120.1° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H13 | 120.0° | 119.9° |
| C12 | C17 | C16 | 120.0° | 120.0° |
| C12 | C17 | H17 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C15 | C14 | H14 | 120.0° | 120.1° |
| C14 | C15 | C16 | 120.1° | 119.9° |
| C14 | C15 | O19 | 119.9° | 120.0° |
| C16 | C15 | O19 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.0° | 119.9° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C15 | O19 | HO19 | 109.5° | 114.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | N01 | C11 | HN01 | 120.0° | 179.7° |
| N01 | C06 | C05 | C04 | 180.0° | 179.9° |
| N01 | C06 | C05 | C07 | 179.8° | 180.0° |
| N01 | C06 | C05 | C10 | 0.3° | 0.0° |
| N01 | C06 | C07 | C08 | 179.9° | 180.0° |
| N01 | C06 | C07 | H07 | 0.1° | 0.1° |
| C06 | N01 | C11 | C12 | 86.5° | 180.0° |
| C06 | N01 | C11 | H11 | 153.5° | 60.0° |
| C06 | N01 | C11 | H11A | 33.5° | 60.0° |
| C11 | N01 | C06 | C05 | 171.8° | 174.4° |
| C11 | N01 | C06 | C07 | 8.0° | 5.6° |
| N01 | C11 | C12 | H11 | 120.0° | 119.9° |
| N01 | C11 | C12 | H11A | 120.0° | 120.1° |
| N01 | C11 | H11 | H11A | 119.6° | 120.0° |
| N01 | C11 | C12 | C13 | 59.2° | 90.0° |
| N01 | C11 | C12 | C17 | 120.4° | 90.3° |
| HN01 | N01 | C06 | C05 | 68.2° | 5.9° |
| HN01 | N01 | C06 | C07 | 111.9° | 174.1° |
| HN01 | N01 | C11 | C12 | 33.5° | 0.3° |
| HN01 | N01 | C11 | H11 | 86.5° | 120.2° |
| HN01 | N01 | C11 | H11A | 153.5° | 119.7° |
| C10 | N02 | HN02 | HN0A | 180.0° | 180.0° |
| N02 | C10 | C05 | C04 | 30.5° | 5.9° |
| N02 | C10 | C05 | C06 | 149.1° | 174.2° |
| N02 | C10 | C05 | O18 | 179.2° | 180.0° |
| HN02 | N02 | C10 | C05 | 179.2° | 0.0° |
| HN02 | N02 | C10 | O18 | 0.0° | 180.0° |
| HN0A | N02 | C10 | C05 | 0.8° | 180.0° |
| HN0A | N02 | C10 | O18 | 180.0° | 0.0° |
| C09 | N03 | O20 | O21 | 180.0° | 179.9° |
| N03 | C09 | C04 | C05 | 180.0° | 180.0° |
| N03 | C09 | C04 | C08 | 180.0° | 180.0° |
| N03 | C09 | C04 | H04 | 0.0° | 0.3° |
| N03 | C09 | C08 | C07 | 180.0° | 180.0° |
| N03 | C09 | C08 | H08 | 0.0° | 0.1° |
| O20 | N03 | C09 | C04 | 0.1° | 0.0° |
| O20 | N03 | C09 | C08 | 179.9° | 180.0° |
| O21 | N03 | C09 | C04 | 179.9° | 180.0° |
| O21 | N03 | C09 | C08 | 0.0° | 0.1° |
| C05 | C04 | C09 | H04 | 180.0° | 179.7° |
| C04 | C05 | C06 | C10 | 179.6° | 179.9° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C09 | C08 | 0.0° | 0.0° |
| C04 | C05 | C10 | O18 | 150.3° | 174.1° |
| C09 | C04 | C05 | C06 | 0.1° | 0.0° |
| C09 | C04 | C05 | C10 | 179.5° | 180.0° |
| C04 | C09 | C08 | C07 | 0.0° | 0.0° |
| C04 | C09 | C08 | H08 | 180.0° | 179.9° |
| H04 | C04 | C05 | C06 | 179.9° | 179.7° |
| H04 | C04 | C05 | C10 | 0.4° | 0.3° |
| H04 | C04 | C09 | C08 | 180.0° | 179.7° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C05 | C06 | C07 | H07 | 179.9° | 180.0° |
| C06 | C05 | C10 | O18 | 30.1° | 5.8° |
| C10 | C05 | C06 | C07 | 179.5° | 180.0° |
| C06 | C07 | C08 | H07 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.0° | 0.0° |
| C06 | C07 | C08 | H08 | 180.0° | 180.0° |
| C07 | C08 | C09 | H08 | 180.0° | 179.9° |
| H07 | C07 | C08 | C09 | 180.0° | 180.0° |
| H07 | C07 | C08 | H08 | 0.0° | 0.1° |
| C12 | C11 | H11 | H11A | 119.6° | 120.0° |
| C11 | C12 | C13 | C17 | 179.5° | 179.7° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C11 | C12 | C13 | H13 | 0.5° | 0.1° |
| C11 | C12 | C17 | C16 | 179.4° | 179.8° |
| C11 | C12 | C17 | H17 | 0.6° | 0.0° |
| H11 | C11 | C12 | C13 | 60.8° | 29.9° |
| H11 | C11 | C12 | C17 | 119.6° | 149.8° |
| H11A | C11 | C12 | C13 | 179.2° | 149.9° |
| H11A | C11 | C12 | C17 | 0.4° | 29.8° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C12 | C17 | C16 | 0.1° | 0.5° |
| C13 | C12 | C17 | H17 | 179.9° | 179.7° |
| C17 | C12 | C13 | C14 | 0.1° | 0.3° |
| C17 | C12 | C13 | H13 | 179.9° | 179.8° |
| C12 | C17 | C16 | C15 | 0.1° | 0.5° |
| C12 | C17 | C16 | H17 | 180.0° | 179.8° |
| C12 | C17 | C16 | H16 | 179.9° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | O19 | 179.9° | 180.0° |
| H13 | C13 | C14 | C15 | 180.0° | 179.9° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| C14 | C15 | C16 | O19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C14 | C15 | O19 | HO19 | 180.0° | 90.0° |
| H14 | C14 | C15 | C16 | 180.0° | 180.0° |
| H14 | C14 | C15 | O19 | 0.1° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C15 | C16 | C17 | H17 | 179.9° | 179.7° |
| C16 | C15 | O19 | HO19 | 0.1° | 90.0° |
| O19 | C15 | C16 | C17 | 179.9° | 179.8° |
| O19 | C15 | C16 | H16 | 0.1° | 0.1° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
