ZEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.31Å | 1.34Å | |
| C14 | O16 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | N10 | sing | 1.47Å | 1.45Å | |
| N10 | C1 | sing | 1.38Å | 1.35Å | |
| C1 | C6 | doub | 1.41Å | 1.49Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | N4 | doub | 1.33Å | 1.36Å | Aromatic |
| N4 | C3 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | C14 | 119.7° | 119.9° |
| C15 | C13 | C12 | 117.9° | 120.0° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.4° |
| C13 | C15 | H15B | 109.4° | 109.5° |
| C14 | C13 | C12 | 122.4° | 120.1° |
| C13 | C14 | O16 | 110.6° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.5° |
| C13 | C14 | H14A | 108.8° | 109.4° |
| C13 | C12 | C11 | 122.9° | 119.9° |
| C13 | C12 | H12 | 118.5° | 120.1° |
| O16 | C14 | H14 | 109.1° | 109.5° |
| O16 | C14 | H14A | 108.9° | 109.4° |
| C14 | O16 | HO16 | 109.5° | 114.0° |
| C12 | C11 | N10 | 107.1° | 109.4° |
| C11 | C12 | H12 | 118.5° | 120.0° |
| C12 | C11 | H11 | 110.3° | 109.5° |
| C12 | C11 | H11A | 110.8° | 109.5° |
| C11 | N10 | C1 | 121.3° | 120.0° |
| N10 | C11 | H11 | 110.3° | 109.5° |
| N10 | C11 | H11A | 110.8° | 109.5° |
| C11 | N10 | HN10 | 105.7° | 120.0° |
| N10 | C1 | C6 | 120.3° | 120.8° |
| N10 | C1 | N2 | 121.2° | 120.8° |
| C1 | N10 | HN10 | 105.7° | 120.0° |
| C6 | C1 | N2 | 118.5° | 118.5° |
| C1 | C6 | N7 | 136.9° | 134.7° |
| C1 | C6 | C5 | 116.4° | 118.2° |
| C1 | N2 | C3 | 120.8° | 121.2° |
| N7 | C6 | C5 | 106.7° | 107.1° |
| C6 | N7 | C8 | 108.1° | 109.5° |
| C6 | C5 | N9 | 109.7° | 106.0° |
| C6 | C5 | N4 | 122.1° | 119.1° |
| N7 | C8 | N9 | 109.2° | 110.0° |
| N7 | C8 | H8 | 125.4° | 125.0° |
| C8 | N9 | C5 | 106.4° | 107.4° |
| N9 | C8 | H8 | 125.4° | 125.0° |
| C8 | N9 | HN9 | 126.8° | 126.3° |
| N9 | C5 | N4 | 128.3° | 134.9° |
| C5 | N9 | HN9 | 126.8° | 126.3° |
| C5 | N4 | C3 | 120.0° | 120.7° |
| N4 | C3 | N2 | 122.3° | 122.5° |
| N4 | C3 | H3 | 118.8° | 118.8° |
| N2 | C3 | H3 | 118.9° | 118.7° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H14 | C14 | H14A | 110.4° | 109.4° |
| H11 | C11 | H11A | 107.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | C14 | C12 | 179.9° | 179.9° |
| C15 | C13 | C14 | O16 | 117.0° | 53.5° |
| C15 | C13 | C12 | C11 | 179.5° | 172.2° |
| C13 | C15 | H15 | H15A | 120.0° | 119.9° |
| C13 | C15 | H15 | H15B | 119.9° | 120.1° |
| C13 | C15 | H15A | H15B | 120.0° | 120.1° |
| C15 | C13 | C14 | H14 | 3.0° | 66.6° |
| C15 | C13 | C14 | H14A | 123.5° | 173.4° |
| C15 | C13 | C12 | H12 | 0.5° | 7.9° |
| C13 | C14 | O16 | H14 | 120.0° | 120.1° |
| C13 | C14 | O16 | H14A | 119.5° | 119.9° |
| C14 | C13 | C12 | C11 | 0.3° | 7.8° |
| C14 | C13 | C15 | H15 | 15.6° | 90.1° |
| C14 | C13 | C15 | H15A | 104.4° | 150.0° |
| C14 | C13 | C15 | H15B | 135.6° | 30.0° |
| C13 | C14 | H14 | H14A | 119.5° | 120.0° |
| C13 | C14 | O16 | HO16 | 77.4° | 180.0° |
| C14 | C13 | C12 | H12 | 179.7° | 172.2° |
| C12 | C13 | C14 | O16 | 63.2° | 126.6° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 139.0° | 126.8° |
| C12 | C13 | C15 | H15 | 164.2° | 90.0° |
| C12 | C13 | C15 | H15A | 75.7° | 29.9° |
| C12 | C13 | C15 | H15B | 44.3° | 150.0° |
| C12 | C13 | C14 | H14 | 176.8° | 113.3° |
| C12 | C13 | C14 | H14A | 56.3° | 6.7° |
| C13 | C12 | C11 | H11 | 101.0° | 113.3° |
| C13 | C12 | C11 | H11A | 18.0° | 6.8° |
| O16 | C14 | H14 | H14A | 119.6° | 120.0° |
| C12 | C11 | N10 | H11 | 120.0° | 120.0° |
| C12 | C11 | N10 | H11A | 120.9° | 120.0° |
| C12 | C11 | N10 | C1 | 141.1° | 179.9° |
| C12 | C11 | H11 | H11A | 121.0° | 120.0° |
| C12 | C11 | N10 | HN10 | 21.1° | 0.0° |
| C11 | N10 | C1 | HN10 | 120.0° | 179.9° |
| C11 | N10 | C1 | C6 | 179.7° | 180.0° |
| C11 | N10 | C1 | N2 | 0.1° | 0.2° |
| N10 | C11 | C12 | H12 | 41.0° | 53.3° |
| N10 | C11 | H11 | H11A | 121.0° | 120.0° |
| N10 | C1 | C6 | N2 | 179.6° | 179.9° |
| N10 | C1 | C6 | N7 | 0.1° | 0.1° |
| N10 | C1 | C6 | C5 | 180.0° | 179.9° |
| N10 | C1 | N2 | C3 | 180.0° | 179.7° |
| C1 | N10 | C11 | H11 | 98.9° | 60.0° |
| C1 | N10 | C11 | H11A | 20.1° | 60.1° |
| C1 | C6 | N7 | C5 | 179.8° | 180.0° |
| C1 | C6 | N7 | C8 | 180.0° | 180.0° |
| C1 | C6 | C5 | N9 | 180.0° | 180.0° |
| C1 | C6 | C5 | N4 | 0.3° | 0.0° |
| C6 | C1 | N2 | C3 | 0.4° | 0.4° |
| C6 | C1 | N10 | HN10 | 60.3° | 0.1° |
| N2 | C1 | C6 | N7 | 179.5° | 179.8° |
| N2 | C1 | C6 | C5 | 0.3° | 0.2° |
| C1 | N2 | C3 | N4 | 0.3° | 0.4° |
| N2 | C1 | N10 | HN10 | 120.1° | 179.8° |
| C1 | N2 | C3 | H3 | 179.7° | 179.8° |
| C6 | N7 | C8 | N9 | 0.2° | 0.0° |
| N7 | C6 | C5 | N9 | 0.1° | 0.0° |
| N7 | C6 | C5 | N4 | 179.6° | 180.0° |
| C6 | N7 | C8 | H8 | 179.8° | 180.0° |
| C5 | C6 | N7 | C8 | 0.2° | 0.0° |
| C6 | C5 | N9 | C8 | 0.1° | 0.0° |
| C6 | C5 | N9 | N4 | 179.7° | 180.0° |
| C6 | C5 | N4 | C3 | 0.2° | 0.0° |
| C6 | C5 | N9 | HN9 | 180.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C5 | 0.2° | 0.0° |
| N7 | C8 | N9 | HN9 | 179.8° | 180.0° |
| C8 | N9 | C5 | HN9 | 180.0° | 180.0° |
| C8 | N9 | C5 | N4 | 179.7° | 180.0° |
| N9 | C5 | N4 | C3 | 179.8° | 180.0° |
| C5 | N9 | C8 | H8 | 179.8° | 180.0° |
| C5 | N4 | C3 | N2 | 0.2° | 0.2° |
| N4 | C5 | N9 | HN9 | 0.3° | 0.0° |
| C5 | N4 | C3 | H3 | 179.8° | 180.0° |
| N4 | C3 | N2 | H3 | 180.0° | 179.8° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H14 | C14 | O16 | HO16 | 162.6° | 59.9° |
| H14A | C14 | O16 | HO16 | 42.1° | 60.0° |
| H12 | C12 | C11 | H11 | 79.0° | 66.7° |
| H12 | C12 | C11 | H11A | 162.0° | 173.3° |
| H11 | C11 | N10 | HN10 | 141.1° | 119.9° |
| H11A | C11 | N10 | HN10 | 99.8° | 120.0° |
| H8 | C8 | N9 | HN9 | 0.1° | 0.0° |
