UE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C4 | N7 | sing | 1.47Å | 1.47Å | |
| C20 | C17 | sing | 1.51Å | 1.49Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| O13 | C6 | doub | 1.21Å | 1.24Å | |
| C14 | C1 | sing | 1.51Å | 1.55Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.51Å | 1.56Å | |
| C1 | C5 | sing | 1.53Å | 1.55Å | |
| N7 | C5 | sing | 1.47Å | 1.47Å | |
| N7 | C8 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C6 | O11 | sing | 1.34Å | 1.25Å | |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | O10 | doub | 1.21Å | 1.23Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| O11 | H17 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 108.4° | 109.3° |
| C3 | C2 | C1 | 112.8° | 109.5° |
| C2 | C3 | H13 | 109.7° | 109.5° |
| C2 | C3 | H14 | 109.7° | 109.5° |
| C3 | C2 | H15 | 108.6° | 109.4° |
| C3 | C2 | H16 | 108.6° | 109.4° |
| C3 | C4 | N7 | 112.1° | 108.8° |
| C3 | C4 | H9 | 108.8° | 109.6° |
| C3 | C4 | H10 | 108.8° | 109.7° |
| C4 | C3 | H13 | 109.7° | 109.5° |
| C4 | C3 | H14 | 109.7° | 109.5° |
| C19 | C18 | C17 | 121.2° | 120.0° |
| C18 | C19 | C14 | 121.5° | 120.0° |
| C19 | C18 | H18 | 119.4° | 120.0° |
| C18 | C19 | H19 | 119.3° | 120.0° |
| C18 | C17 | C20 | 120.1° | 120.0° |
| C18 | C17 | C16 | 118.0° | 120.0° |
| C17 | C18 | H18 | 119.4° | 120.0° |
| C19 | C14 | C1 | 119.7° | 120.0° |
| C19 | C14 | C15 | 117.5° | 120.0° |
| C14 | C19 | H19 | 119.3° | 120.0° |
| C2 | C1 | C14 | 114.7° | 109.5° |
| C2 | C1 | C6 | 110.2° | 109.5° |
| C2 | C1 | C5 | 102.7° | 109.3° |
| C1 | C2 | H15 | 108.7° | 109.4° |
| C1 | C2 | H16 | 108.6° | 109.5° |
| C4 | N7 | C5 | 113.5° | 118.8° |
| C4 | N7 | C8 | 125.1° | 120.6° |
| N7 | C4 | H9 | 108.8° | 109.6° |
| N7 | C4 | H10 | 108.8° | 109.6° |
| C20 | C17 | C16 | 121.8° | 120.0° |
| C17 | C20 | H2 | 109.5° | 109.4° |
| C17 | C20 | H3 | 109.4° | 109.4° |
| C17 | C20 | H4 | 109.4° | 109.5° |
| C17 | C16 | C15 | 121.0° | 120.0° |
| C17 | C16 | H1 | 119.5° | 120.0° |
| O13 | C6 | C1 | 117.4° | 120.0° |
| O13 | C6 | O11 | 121.9° | 120.0° |
| C1 | C14 | C15 | 122.8° | 120.0° |
| C14 | C1 | C6 | 102.7° | 109.5° |
| C14 | C1 | C5 | 116.2° | 109.6° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C14 | C15 | H5 | 119.6° | 120.0° |
| C6 | C1 | C5 | 110.5° | 109.5° |
| C1 | C6 | O11 | 120.6° | 120.0° |
| C1 | C5 | N7 | 112.0° | 108.8° |
| C1 | C5 | H11 | 108.8° | 109.6° |
| C1 | C5 | H12 | 108.8° | 109.6° |
| C5 | N7 | C8 | 121.3° | 120.6° |
| N7 | C5 | H11 | 108.8° | 109.6° |
| N7 | C5 | H12 | 108.8° | 109.7° |
| N7 | C8 | C9 | 118.3° | 120.0° |
| N7 | C8 | O10 | 121.8° | 120.0° |
| C9 | C8 | O10 | 119.9° | 120.0° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| C6 | O11 | H17 | 109.5° | 117.0° |
| C15 | C16 | H1 | 119.5° | 120.0° |
| C16 | C15 | H5 | 119.6° | 120.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H4 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H8 | 109.5° | 109.4° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H9 | C4 | H10 | 109.5° | 109.6° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H13 | 119.8° | 120.0° |
| C2 | C3 | C4 | H14 | 119.8° | 120.0° |
| C3 | C2 | C1 | H15 | 120.5° | 120.0° |
| C3 | C2 | C1 | H16 | 120.5° | 120.0° |
| C2 | C3 | C4 | N7 | 51.1° | 54.6° |
| C3 | C2 | C1 | C14 | 64.3° | 178.7° |
| C3 | C2 | C1 | C6 | 179.6° | 58.6° |
| C3 | C2 | C1 | C5 | 62.7° | 61.3° |
| C2 | C3 | C4 | H9 | 69.3° | 174.4° |
| C2 | C3 | C4 | H10 | 171.5° | 65.2° |
| C2 | C3 | H13 | H14 | 120.5° | 120.0° |
| C3 | C2 | H15 | H16 | 118.5° | 120.0° |
| C4 | C3 | C2 | C1 | 59.4° | 61.3° |
| C3 | C4 | N7 | H9 | 120.4° | 119.8° |
| C3 | C4 | N7 | H10 | 120.4° | 119.9° |
| C3 | C4 | N7 | C5 | 52.6° | 53.6° |
| C3 | C4 | N7 | C8 | 131.0° | 126.4° |
| C3 | C4 | H9 | H10 | 118.8° | 120.4° |
| C4 | C3 | H13 | H14 | 120.5° | 120.1° |
| C4 | C3 | C2 | H15 | 179.9° | 58.6° |
| C4 | C3 | C2 | H16 | 61.1° | 178.6° |
| C19 | C18 | C17 | H18 | 180.0° | 179.2° |
| C18 | C19 | C14 | H19 | 180.0° | 179.2° |
| C19 | C18 | C17 | C20 | 179.0° | 179.4° |
| C19 | C18 | C17 | C16 | 2.1° | 0.5° |
| C18 | C19 | C14 | C1 | 179.4° | 179.4° |
| C18 | C19 | C14 | C15 | 1.0° | 0.6° |
| C17 | C18 | C19 | C14 | 1.3° | 0.8° |
| C18 | C17 | C20 | C16 | 176.8° | 179.9° |
| C18 | C17 | C16 | C15 | 0.6° | 0.0° |
| C18 | C17 | C16 | H1 | 179.4° | 179.8° |
| C18 | C17 | C20 | H2 | 88.4° | 90.0° |
| C18 | C17 | C20 | H3 | 151.5° | 29.9° |
| C18 | C17 | C20 | H4 | 31.5° | 150.0° |
| C17 | C18 | C19 | H19 | 178.7° | 180.0° |
| C19 | C14 | C1 | C2 | 27.3° | 0.0° |
| C19 | C14 | C1 | C15 | 178.3° | 180.0° |
| C19 | C14 | C1 | C6 | 92.3° | 120.1° |
| C19 | C14 | C1 | C5 | 147.0° | 119.8° |
| C19 | C14 | C15 | C16 | 2.5° | 0.0° |
| C19 | C14 | C15 | H5 | 177.5° | 180.0° |
| C14 | C19 | C18 | H18 | 178.7° | 180.0° |
| C2 | C1 | C6 | O13 | 42.2° | 0.0° |
| C2 | C1 | C14 | C6 | 119.6° | 120.0° |
| C2 | C1 | C14 | C5 | 119.7° | 119.9° |
| C2 | C1 | C14 | C15 | 154.4° | 180.0° |
| C2 | C1 | C6 | C5 | 112.8° | 119.8° |
| C2 | C1 | C5 | N7 | 61.0° | 54.6° |
| C2 | C1 | C6 | O11 | 142.1° | 180.0° |
| C2 | C1 | C5 | H11 | 178.6° | 65.2° |
| C2 | C1 | C5 | H12 | 59.4° | 174.6° |
| C1 | C2 | C3 | H13 | 179.2° | 178.7° |
| C1 | C2 | C3 | H14 | 60.5° | 58.6° |
| C1 | C2 | H15 | H16 | 118.5° | 120.0° |
| C4 | N7 | C5 | C1 | 59.6° | 53.6° |
| C4 | N7 | C5 | C8 | 176.5° | 180.0° |
| C4 | N7 | C8 | C9 | 1.0° | 0.1° |
| C4 | N7 | C8 | O10 | 178.3° | 180.0° |
| N7 | C4 | H9 | H10 | 118.8° | 120.3° |
| C4 | N7 | C5 | H11 | 180.0° | 66.2° |
| C4 | N7 | C5 | H12 | 60.8° | 173.5° |
| N7 | C4 | C3 | H13 | 170.9° | 174.6° |
| N7 | C4 | C3 | H14 | 68.8° | 65.3° |
| C20 | C17 | C16 | C15 | 177.5° | 180.0° |
| C20 | C17 | C16 | H1 | 2.5° | 0.3° |
| C17 | C20 | H2 | H3 | 120.0° | 119.9° |
| C17 | C20 | H2 | H4 | 120.0° | 120.0° |
| C17 | C20 | H3 | H4 | 120.0° | 120.1° |
| C20 | C17 | C18 | H18 | 0.9° | 0.2° |
| C17 | C16 | C15 | C14 | 1.8° | 0.3° |
| C17 | C16 | C15 | H1 | 180.0° | 179.7° |
| C16 | C17 | C20 | H2 | 88.4° | 90.0° |
| C16 | C17 | C20 | H3 | 31.6° | 150.0° |
| C16 | C17 | C20 | H4 | 151.6° | 30.0° |
| C17 | C16 | C15 | H5 | 178.2° | 179.7° |
| C16 | C17 | C18 | H18 | 177.9° | 179.7° |
| O13 | C6 | C1 | C14 | 80.4° | 120.0° |
| O13 | C6 | C1 | O11 | 175.7° | 180.0° |
| O13 | C6 | C1 | C5 | 155.0° | 119.9° |
| O13 | C6 | O11 | H17 | 0.0° | 0.0° |
| C14 | C1 | C6 | C5 | 124.6° | 120.1° |
| C14 | C1 | C5 | N7 | 65.0° | 174.6° |
| C14 | C1 | C6 | O11 | 95.3° | 60.0° |
| C1 | C14 | C15 | C16 | 179.2° | 179.9° |
| C1 | C14 | C15 | H5 | 0.9° | 0.0° |
| C14 | C1 | C5 | H11 | 55.4° | 54.7° |
| C14 | C1 | C5 | H12 | 174.6° | 65.4° |
| C14 | C1 | C2 | H15 | 56.2° | 61.4° |
| C14 | C1 | C2 | H16 | 175.3° | 58.7° |
| C1 | C14 | C19 | H19 | 0.6° | 0.2° |
| C15 | C14 | C1 | C6 | 86.0° | 60.0° |
| C15 | C14 | C1 | C5 | 34.7° | 60.1° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | H1 | 178.2° | 180.0° |
| C15 | C14 | C19 | H19 | 179.0° | 179.7° |
| C6 | C1 | C5 | N7 | 178.5° | 65.3° |
| C6 | C1 | C5 | H11 | 61.1° | 174.8° |
| C6 | C1 | C5 | H12 | 58.1° | 54.7° |
| C6 | C1 | C2 | H15 | 59.1° | 178.6° |
| C6 | C1 | C2 | H16 | 59.9° | 61.4° |
| C1 | C6 | O11 | H17 | 175.5° | 180.0° |
| C1 | C5 | N7 | H11 | 120.4° | 119.8° |
| C1 | C5 | N7 | H12 | 120.4° | 119.9° |
| C1 | C5 | N7 | C8 | 123.9° | 126.4° |
| C5 | C1 | C6 | O11 | 29.3° | 60.1° |
| C1 | C5 | H11 | H12 | 118.8° | 120.2° |
| C5 | C1 | C2 | H15 | 176.8° | 58.7° |
| C5 | C1 | C2 | H16 | 57.8° | 178.7° |
| C5 | N7 | C8 | C9 | 177.1° | 179.9° |
| C5 | N7 | C8 | O10 | 2.2° | 0.0° |
| C5 | N7 | C4 | H9 | 67.7° | 173.4° |
| C5 | N7 | C4 | H10 | 173.1° | 66.3° |
| N7 | C5 | H11 | H12 | 118.8° | 120.4° |
| N7 | C8 | C9 | O10 | 179.4° | 179.9° |
| N7 | C8 | C9 | H6 | 179.4° | 180.0° |
| N7 | C8 | C9 | H7 | 59.3° | 59.9° |
| N7 | C8 | C9 | H8 | 60.6° | 60.1° |
| C8 | N7 | C4 | H9 | 108.6° | 6.6° |
| C8 | N7 | C4 | H10 | 10.6° | 113.7° |
| C8 | N7 | C5 | H11 | 3.5° | 113.8° |
| C8 | N7 | C5 | H12 | 115.8° | 6.5° |
| C8 | C9 | H6 | H7 | 120.0° | 120.1° |
| C8 | C9 | H6 | H8 | 120.0° | 120.0° |
| C8 | C9 | H7 | H8 | 120.0° | 120.0° |
| O10 | C8 | C9 | H6 | 0.0° | 0.0° |
| O10 | C8 | C9 | H7 | 120.0° | 120.0° |
| O10 | C8 | C9 | H8 | 120.0° | 120.0° |
| H1 | C16 | C15 | H5 | 1.8° | 0.0° |
| H2 | C20 | H3 | H4 | 120.0° | 120.1° |
| H6 | C9 | H7 | H8 | 120.0° | 119.9° |
| H9 | C4 | C3 | H13 | 50.5° | 65.6° |
| H9 | C4 | C3 | H14 | 170.9° | 54.5° |
| H10 | C4 | C3 | H13 | 68.7° | 54.7° |
| H10 | C4 | C3 | H14 | 51.6° | 174.8° |
| H13 | C3 | C2 | H15 | 60.3° | 61.4° |
| H13 | C3 | C2 | H16 | 58.7° | 58.6° |
| H14 | C3 | C2 | H15 | 60.1° | 178.6° |
| H14 | C3 | C2 | H16 | 179.1° | 61.4° |
| H18 | C18 | C19 | H19 | 1.3° | 0.8° |
