UL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.45Å | |
| O | C1 | doub | 1.21Å | 1.24Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.48Å | 1.51Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.31Å | 1.35Å | Aromatic |
| C4 | C14 | sing | 1.48Å | 1.50Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| N2 | C14 | sing | 1.35Å | 1.34Å | |
| N2 | C15 | sing | 1.46Å | 1.46Å | |
| C17 | C15 | sing | 1.53Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | O1 | doub | 1.22Å | 1.24Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 122.3° | 120.0° |
| C | N | H15 | 118.8° | 120.0° |
| N | C | H16 | 109.5° | 109.5° |
| N | C | H17 | 109.5° | 109.5° |
| N | C | H18 | 109.5° | 109.5° |
| O | C1 | N | 123.2° | 120.0° |
| O | C1 | C2 | 121.6° | 120.0° |
| N | C1 | C2 | 115.2° | 120.0° |
| C1 | N | H15 | 118.9° | 120.0° |
| C1 | C2 | C3 | 119.7° | 119.7° |
| C1 | C2 | N1 | 117.1° | 119.7° |
| C3 | C2 | N1 | 123.2° | 120.7° |
| C2 | C3 | C4 | 118.3° | 118.9° |
| C2 | C3 | H14 | 120.9° | 120.5° |
| C2 | N1 | C6 | 117.8° | 122.0° |
| C3 | C4 | C14 | 124.4° | 120.9° |
| C3 | C4 | C5 | 118.5° | 118.2° |
| C4 | C3 | H14 | 120.9° | 120.6° |
| N1 | C6 | C5 | 122.5° | 121.1° |
| N1 | C6 | C7 | 116.2° | 119.5° |
| C14 | C4 | C5 | 117.1° | 120.9° |
| C4 | C14 | N2 | 116.7° | 120.0° |
| C4 | C14 | O1 | 120.9° | 120.0° |
| C4 | C5 | C6 | 119.7° | 119.2° |
| C4 | C5 | H1 | 120.2° | 120.4° |
| C18 | C17 | C15 | 119.0° | 117.5° |
| C18 | C17 | C16 | 120.4° | 117.5° |
| C18 | C17 | H7 | 115.3° | 115.5° |
| C17 | C18 | H9 | 109.5° | 109.5° |
| C17 | C18 | H10 | 109.5° | 109.5° |
| C17 | C18 | H11 | 109.5° | 109.5° |
| C5 | C6 | C7 | 121.2° | 119.4° |
| C6 | C5 | H1 | 120.2° | 120.4° |
| C6 | C7 | C8 | 109.9° | 109.5° |
| C6 | C7 | H2 | 109.4° | 109.4° |
| C6 | C7 | H3 | 109.3° | 109.5° |
| C14 | N2 | C15 | 123.3° | 120.0° |
| N2 | C14 | O1 | 122.4° | 120.0° |
| C14 | N2 | H8 | 118.3° | 120.0° |
| N2 | C15 | C17 | 119.0° | 117.6° |
| N2 | C15 | C16 | 118.1° | 117.6° |
| N2 | C15 | H6 | 116.2° | 115.5° |
| C15 | N2 | H8 | 118.4° | 119.9° |
| C15 | C17 | C16 | 59.3° | 60.0° |
| C17 | C15 | C16 | 61.1° | 60.0° |
| C17 | C15 | H6 | 115.5° | 117.5° |
| C15 | C17 | H7 | 115.9° | 117.5° |
| C17 | C16 | C15 | 59.6° | 60.0° |
| C16 | C17 | H7 | 115.5° | 117.5° |
| C17 | C16 | H12 | 120.1° | 117.5° |
| C17 | C16 | H13 | 120.1° | 117.5° |
| C16 | C15 | H6 | 115.6° | 117.5° |
| C15 | C16 | H12 | 120.1° | 117.5° |
| C15 | C16 | H13 | 120.1° | 117.5° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C7 | C8 | C13 | 121.1° | 120.0° |
| C8 | C7 | H2 | 109.4° | 109.5° |
| C8 | C7 | H3 | 109.4° | 109.5° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C9 | C8 | C13 | 118.5° | 120.0° |
| C8 | C9 | H21 | 119.6° | 120.0° |
| C9 | C10 | C11 | 120.4° | 120.0° |
| C9 | C10 | H4 | 119.8° | 120.0° |
| C10 | C9 | H21 | 119.6° | 120.0° |
| C8 | C13 | C12 | 120.6° | 120.0° |
| C8 | C13 | H5 | 119.7° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C11 | C10 | H4 | 119.8° | 119.9° |
| C10 | C11 | H20 | 120.3° | 120.1° |
| C13 | C12 | C11 | 120.1° | 120.0° |
| C12 | C13 | H5 | 119.7° | 120.0° |
| C13 | C12 | H19 | 120.0° | 120.0° |
| C11 | C12 | H19 | 119.9° | 120.0° |
| C12 | C11 | H20 | 120.2° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H11 | 109.4° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 115.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | O | 7.6° | 0.0° |
| C | N | C1 | H15 | 180.0° | 179.9° |
| C | N | C1 | C2 | 171.1° | 180.0° |
| N | C | H16 | H17 | 120.0° | 120.0° |
| N | C | H16 | H18 | 120.0° | 120.0° |
| N | C | H17 | H18 | 120.0° | 120.0° |
| O | C1 | N | C2 | 178.7° | 180.0° |
| O | C1 | C2 | C3 | 9.2° | 0.0° |
| O | C1 | C2 | N1 | 169.8° | 180.0° |
| O | C1 | N | H15 | 172.4° | 179.9° |
| N | C1 | C2 | C3 | 172.1° | 180.0° |
| N | C1 | C2 | N1 | 8.9° | 0.0° |
| C1 | N | C | H16 | 180.0° | 180.0° |
| C1 | N | C | H17 | 60.0° | 60.0° |
| C1 | N | C | H18 | 60.0° | 60.0° |
| C1 | C2 | C3 | N1 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 178.1° | 179.9° |
| C1 | C2 | N1 | C6 | 178.8° | 180.0° |
| C1 | C2 | C3 | H14 | 1.9° | 0.1° |
| C2 | C1 | N | H15 | 8.9° | 0.1° |
| C2 | C3 | C4 | H14 | 180.0° | 179.9° |
| C3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | C14 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.1° |
| N1 | C2 | C3 | C4 | 0.8° | 0.1° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | C7 | 179.0° | 179.9° |
| N1 | C2 | C3 | H14 | 179.2° | 179.9° |
| C3 | C4 | C14 | C5 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C14 | N2 | 22.1° | 0.1° |
| C3 | C4 | C14 | O1 | 158.2° | 180.0° |
| C3 | C4 | C5 | H1 | 179.5° | 180.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | C7 | 178.6° | 179.9° |
| N1 | C6 | C7 | C8 | 94.4° | 55.0° |
| N1 | C6 | C5 | H1 | 179.8° | 180.0° |
| N1 | C6 | C7 | H2 | 145.5° | 65.0° |
| N1 | C6 | C7 | H3 | 25.6° | 175.0° |
| C14 | C4 | C5 | C6 | 179.1° | 179.9° |
| C4 | C14 | N2 | O1 | 179.8° | 179.9° |
| C4 | C14 | N2 | C15 | 174.1° | 180.0° |
| C14 | C4 | C5 | H1 | 0.9° | 0.1° |
| C4 | C14 | N2 | H8 | 5.9° | 0.1° |
| C14 | C4 | C3 | H14 | 1.4° | 0.2° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 178.7° | 179.9° |
| C5 | C4 | C14 | N2 | 157.5° | 180.0° |
| C5 | C4 | C14 | O1 | 22.2° | 0.1° |
| C5 | C4 | C3 | H14 | 179.0° | 180.0° |
| C18 | C17 | C15 | N2 | 142.0° | 145.0° |
| C18 | C17 | C15 | C16 | 110.1° | 107.5° |
| C18 | C17 | C15 | H7 | 144.3° | 145.0° |
| C18 | C17 | C16 | H7 | 146.0° | 145.0° |
| C18 | C17 | C15 | H6 | 3.6° | 0.0° |
| C17 | C18 | H9 | H10 | 120.0° | 120.0° |
| C17 | C18 | H9 | H11 | 120.0° | 120.0° |
| C17 | C18 | H10 | H11 | 120.0° | 120.0° |
| C18 | C17 | C16 | H12 | 142.8° | 0.0° |
| C18 | C17 | C16 | H13 | 1.6° | 145.0° |
| C5 | C6 | C7 | C8 | 84.2° | 124.9° |
| C5 | C6 | C7 | H2 | 35.9° | 115.1° |
| C5 | C6 | C7 | H3 | 155.7° | 4.9° |
| C6 | C7 | C8 | H2 | 120.1° | 120.0° |
| C6 | C7 | C8 | H3 | 120.0° | 120.0° |
| C6 | C7 | C8 | C9 | 74.7° | 90.3° |
| C6 | C7 | C8 | C13 | 103.2° | 90.0° |
| C7 | C6 | C5 | H1 | 1.3° | 0.1° |
| C6 | C7 | H2 | H3 | 119.8° | 120.0° |
| C14 | N2 | C15 | H8 | 180.0° | 180.0° |
| C14 | N2 | C15 | C17 | 179.3° | 155.0° |
| C14 | N2 | C15 | C16 | 110.0° | 136.4° |
| C14 | N2 | C15 | H6 | 34.0° | 9.3° |
| N2 | C15 | C17 | C16 | 108.0° | 107.5° |
| N2 | C15 | C17 | H6 | 145.6° | 145.0° |
| C15 | N2 | C14 | O1 | 5.6° | 0.0° |
| N2 | C15 | C16 | H6 | 144.2° | 145.0° |
| N2 | C15 | C17 | H7 | 2.4° | 0.0° |
| N2 | C15 | C16 | H12 | 0.1° | 145.0° |
| N2 | C15 | C16 | H13 | 141.2° | 0.0° |
| C15 | C17 | C16 | H7 | 106.2° | 107.5° |
| C17 | C15 | C16 | H6 | 106.3° | 107.4° |
| C17 | C15 | N2 | H8 | 0.7° | 25.1° |
| C15 | C17 | C18 | H9 | 180.0° | 60.0° |
| C15 | C17 | C18 | H10 | 60.0° | 180.0° |
| C15 | C17 | C18 | H11 | 60.0° | 60.0° |
| C15 | C17 | C16 | H12 | 109.4° | 107.5° |
| C15 | C17 | C16 | H13 | 109.4° | 107.4° |
| C16 | C17 | C18 | H9 | 110.6° | 8.7° |
| C16 | C17 | C18 | H10 | 129.4° | 111.4° |
| C16 | C17 | C18 | H11 | 9.4° | 128.7° |
| C17 | C16 | H12 | H13 | 144.9° | 145.7° |
| O1 | C14 | N2 | H8 | 174.3° | 180.0° |
| C16 | C15 | N2 | H8 | 70.0° | 43.6° |
| C15 | C16 | H12 | H13 | 144.9° | 145.7° |
| C7 | C8 | C9 | C13 | 178.0° | 179.7° |
| C7 | C8 | C9 | C10 | 177.5° | 179.7° |
| C7 | C8 | C13 | C12 | 177.6° | 180.0° |
| C8 | C7 | H2 | H3 | 119.8° | 120.0° |
| C7 | C8 | C13 | H5 | 2.4° | 0.0° |
| C7 | C8 | C9 | H21 | 2.6° | 0.1° |
| C8 | C9 | C10 | H21 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 0.1° | 0.6° |
| C9 | C8 | C13 | C12 | 0.3° | 0.3° |
| C9 | C8 | C7 | H2 | 165.2° | 149.7° |
| C9 | C8 | C7 | H3 | 45.3° | 29.7° |
| C8 | C9 | C10 | H4 | 179.9° | 179.7° |
| C9 | C8 | C13 | H5 | 179.7° | 179.7° |
| C10 | C9 | C8 | C13 | 0.5° | 0.6° |
| C9 | C10 | C11 | H4 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.4° | 0.3° |
| C9 | C10 | C11 | H20 | 179.6° | 179.9° |
| C8 | C13 | C12 | H5 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C8 | C7 | H2 | 16.9° | 30.0° |
| C13 | C8 | C7 | H3 | 136.7° | 150.0° |
| C8 | C13 | C12 | H19 | 179.8° | 179.9° |
| C13 | C8 | C9 | H21 | 179.5° | 179.8° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C10 | C11 | C12 | H20 | 180.0° | 179.8° |
| C10 | C11 | C12 | H19 | 179.4° | 180.0° |
| C11 | C10 | C9 | H21 | 179.8° | 179.8° |
| C13 | C12 | C11 | H19 | 180.0° | 179.9° |
| C13 | C12 | C11 | H20 | 179.4° | 179.8° |
| C12 | C11 | C10 | H4 | 179.6° | 180.0° |
| C11 | C12 | C13 | H5 | 179.8° | 180.0° |
| H4 | C10 | C11 | H20 | 0.4° | 0.2° |
| H4 | C10 | C9 | H21 | 0.2° | 0.0° |
| H5 | C13 | C12 | H19 | 0.2° | 0.0° |
| H6 | C15 | C17 | H7 | 148.0° | 145.0° |
| H6 | C15 | N2 | H8 | 146.0° | 170.7° |
| H6 | C15 | C16 | H12 | 144.3° | 0.1° |
| H6 | C15 | C16 | H13 | 3.0° | 145.1° |
| H7 | C17 | C18 | H9 | 35.5° | 154.3° |
| H7 | C17 | C18 | H10 | 84.5° | 34.3° |
| H7 | C17 | C18 | H11 | 155.4° | 85.7° |
| H7 | C17 | C16 | H12 | 3.2° | 145.0° |
| H7 | C17 | C16 | H13 | 144.4° | 0.0° |
| H9 | C18 | H10 | H11 | 120.0° | 120.0° |
| H15 | N | C | H16 | 0.0° | 0.0° |
| H15 | N | C | H17 | 120.0° | 120.0° |
| H15 | N | C | H18 | 120.0° | 120.1° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
| H19 | C12 | C11 | H20 | 0.6° | 0.1° |
