MU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N4 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| N4 | C | sing | 1.35Å | 1.36Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| C | N | sing | 1.35Å | 1.37Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| O1 | C5 | doub | 1.22Å | 1.23Å | |
| C14 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.39Å | 1.41Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | N3 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N3 | sing | 1.46Å | 1.46Å | |
| C6 | C10 | sing | 1.54Å | 1.53Å | |
| C1 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | N4 | 110.2° | 108.8° |
| C15 | C16 | C17 | 111.0° | 109.3° |
| C16 | C15 | H8 | 109.3° | 109.6° |
| C16 | C15 | H9 | 109.3° | 109.6° |
| C15 | C16 | H16 | 109.1° | 109.5° |
| C15 | C16 | H17 | 109.1° | 109.5° |
| C15 | N4 | C19 | 112.8° | 118.7° |
| C15 | N4 | C | 123.1° | 120.7° |
| N4 | C15 | H8 | 109.3° | 109.6° |
| N4 | C15 | H9 | 109.3° | 109.6° |
| C16 | C17 | C18 | 111.8° | 109.5° |
| C16 | C17 | H10 | 108.9° | 109.4° |
| C16 | C17 | H11 | 108.9° | 109.4° |
| C17 | C16 | H16 | 109.1° | 109.5° |
| C17 | C16 | H17 | 109.1° | 109.5° |
| C19 | N4 | C | 120.4° | 120.6° |
| N4 | C19 | C18 | 111.2° | 108.8° |
| N4 | C19 | H20 | 109.0° | 109.6° |
| N4 | C19 | H21 | 109.1° | 109.7° |
| N4 | C | O | 120.8° | 120.0° |
| N4 | C | N | 115.7° | 120.0° |
| C17 | C18 | C19 | 111.2° | 109.3° |
| C18 | C17 | H10 | 108.9° | 109.5° |
| C18 | C17 | H11 | 108.9° | 109.4° |
| C17 | C18 | H18 | 109.0° | 109.5° |
| C17 | C18 | H19 | 109.1° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.5° |
| C19 | C18 | H19 | 109.0° | 109.6° |
| C18 | C19 | H20 | 109.0° | 109.6° |
| C18 | C19 | H21 | 109.0° | 109.5° |
| O | C | N | 123.4° | 120.0° |
| C | N | C1 | 126.4° | 120.0° |
| C | N | H12 | 116.8° | 120.0° |
| C8 | C7 | C6 | 102.5° | 105.2° |
| C7 | C8 | C14 | 130.0° | 130.4° |
| C7 | C8 | C9 | 111.3° | 109.8° |
| C8 | C7 | H3 | 111.2° | 110.3° |
| C8 | C7 | H4 | 111.2° | 110.3° |
| C7 | C6 | N3 | 111.4° | 110.8° |
| C7 | C6 | C10 | 103.8° | 102.4° |
| C7 | C6 | H2 | 109.9° | 111.0° |
| C6 | C7 | H3 | 111.2° | 110.3° |
| C6 | C7 | H4 | 111.2° | 110.4° |
| O1 | C5 | N3 | 121.9° | 120.0° |
| O1 | C5 | C4 | 122.1° | 120.0° |
| C8 | C14 | C13 | 120.2° | 120.2° |
| C14 | C8 | C9 | 118.7° | 119.8° |
| C8 | C14 | H15 | 119.9° | 119.9° |
| C14 | C13 | C12 | 120.2° | 119.9° |
| C14 | C13 | H7 | 119.9° | 120.0° |
| C13 | C14 | H15 | 119.9° | 119.9° |
| N | C1 | C4 | 120.9° | 120.2° |
| N | C1 | N1 | 117.0° | 120.1° |
| C1 | N | H12 | 116.8° | 120.0° |
| C8 | C9 | C10 | 108.7° | 109.7° |
| C8 | C9 | C11 | 121.3° | 119.9° |
| N3 | C5 | C4 | 116.0° | 120.0° |
| C5 | N3 | C6 | 120.6° | 120.0° |
| C5 | N3 | H1 | 119.7° | 120.0° |
| C5 | C4 | C1 | 121.9° | 120.2° |
| C5 | C4 | N2 | 116.5° | 120.2° |
| C13 | C12 | C11 | 120.0° | 119.9° |
| C12 | C13 | H7 | 119.9° | 120.1° |
| C13 | C12 | H14 | 120.0° | 120.0° |
| N3 | C6 | C10 | 110.1° | 110.8° |
| C6 | N3 | H1 | 119.7° | 120.1° |
| N3 | C6 | H2 | 111.1° | 110.7° |
| C6 | C10 | C9 | 102.6° | 105.2° |
| C10 | C6 | H2 | 110.2° | 110.8° |
| C6 | C10 | H5 | 111.2° | 110.4° |
| C6 | C10 | H6 | 111.2° | 110.3° |
| C4 | C1 | N1 | 122.0° | 119.7° |
| C1 | C4 | N2 | 121.4° | 119.7° |
| C1 | N1 | C2 | 115.7° | 120.0° |
| C4 | N2 | C3 | 116.3° | 120.0° |
| C10 | C9 | C11 | 130.0° | 130.4° |
| C9 | C10 | H5 | 111.1° | 110.3° |
| C9 | C10 | H6 | 111.1° | 110.4° |
| C9 | C11 | C12 | 119.6° | 120.2° |
| C9 | C11 | H13 | 120.2° | 119.9° |
| N1 | C2 | C3 | 122.3° | 120.3° |
| N1 | C2 | H22 | 118.9° | 119.8° |
| C12 | C11 | H13 | 120.2° | 119.9° |
| C11 | C12 | H14 | 120.0° | 120.0° |
| N2 | C3 | C2 | 122.3° | 120.3° |
| N2 | C3 | H23 | 118.9° | 119.9° |
| C3 | C2 | H22 | 118.8° | 119.9° |
| C2 | C3 | H23 | 118.8° | 119.8° |
| H3 | C7 | H4 | 109.5° | 110.3° |
| H5 | C10 | H6 | 109.5° | 110.2° |
| H8 | C15 | H9 | 109.5° | 109.7° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | N4 | H8 | 120.1° | 119.8° |
| C16 | C15 | N4 | H9 | 120.1° | 119.8° |
| C15 | C16 | C17 | H16 | 120.2° | 119.9° |
| C15 | C16 | C17 | H17 | 120.2° | 120.0° |
| C16 | C15 | N4 | C19 | 60.7° | 53.6° |
| C16 | C15 | N4 | C | 97.5° | 126.3° |
| C15 | C16 | C17 | C18 | 51.9° | 61.3° |
| C16 | C15 | H8 | H9 | 119.7° | 120.4° |
| C15 | C16 | C17 | H10 | 172.2° | 178.7° |
| C15 | C16 | C17 | H11 | 68.4° | 58.6° |
| C15 | C16 | H16 | H17 | 119.3° | 120.1° |
| N4 | C15 | C16 | C17 | 56.5° | 54.6° |
| C15 | N4 | C19 | C | 158.8° | 179.9° |
| C15 | N4 | C19 | C18 | 58.6° | 53.5° |
| C15 | N4 | C | O | 3.6° | 5.1° |
| C15 | N4 | C | N | 179.9° | 174.9° |
| N4 | C15 | H8 | H9 | 119.7° | 120.3° |
| N4 | C15 | C16 | H16 | 63.7° | 65.3° |
| N4 | C15 | C16 | H17 | 176.8° | 174.6° |
| C15 | N4 | C19 | H20 | 61.7° | 173.3° |
| C15 | N4 | C19 | H21 | 178.8° | 66.2° |
| C16 | C17 | C18 | H10 | 120.3° | 120.0° |
| C16 | C17 | C18 | H11 | 120.3° | 119.9° |
| C16 | C17 | C18 | C19 | 49.5° | 61.3° |
| C17 | C16 | C15 | H8 | 63.6° | 65.2° |
| C17 | C16 | C15 | H9 | 176.6° | 174.4° |
| C16 | C17 | H10 | H11 | 119.0° | 120.0° |
| C17 | C16 | H16 | H17 | 119.3° | 120.1° |
| C16 | C17 | C18 | H18 | 70.8° | 58.6° |
| C16 | C17 | C18 | H19 | 169.8° | 178.6° |
| N4 | C19 | C18 | C17 | 52.0° | 54.6° |
| N4 | C19 | C18 | H20 | 120.2° | 119.8° |
| N4 | C19 | C18 | H21 | 120.3° | 119.9° |
| C19 | N4 | C | O | 160.1° | 175.0° |
| C19 | N4 | C | N | 23.5° | 5.0° |
| C19 | N4 | C15 | H8 | 59.4° | 66.2° |
| C19 | N4 | C15 | H9 | 179.2° | 173.4° |
| N4 | C19 | C18 | H18 | 68.2° | 65.3° |
| N4 | C19 | C18 | H19 | 172.3° | 174.6° |
| N4 | C19 | H20 | H21 | 119.2° | 120.4° |
| C | N4 | C19 | C18 | 100.2° | 126.3° |
| N4 | C | O | N | 176.1° | 180.0° |
| N4 | C | N | C1 | 174.6° | 174.7° |
| C | N4 | C15 | H8 | 142.4° | 113.9° |
| C | N4 | C15 | H9 | 22.6° | 6.5° |
| N4 | C | N | H12 | 5.4° | 5.3° |
| C | N4 | C19 | H20 | 139.5° | 6.5° |
| C | N4 | C19 | H21 | 20.0° | 113.9° |
| C17 | C18 | C19 | H18 | 120.2° | 119.9° |
| C17 | C18 | C19 | H19 | 120.3° | 120.0° |
| C18 | C17 | H10 | H11 | 118.9° | 120.0° |
| C18 | C17 | C16 | H16 | 68.3° | 58.6° |
| C18 | C17 | C16 | H17 | 172.1° | 178.7° |
| C17 | C18 | H18 | H19 | 119.2° | 120.0° |
| C17 | C18 | C19 | H20 | 68.2° | 174.4° |
| C17 | C18 | C19 | H21 | 172.3° | 65.3° |
| C19 | C18 | C17 | H10 | 169.8° | 178.7° |
| C19 | C18 | C17 | H11 | 70.9° | 58.6° |
| C19 | C18 | H18 | H19 | 119.2° | 120.1° |
| C18 | C19 | H20 | H21 | 119.2° | 120.2° |
| O | C | N | C1 | 9.1° | 5.3° |
| O | C | N | H12 | 170.9° | 174.7° |
| C | N | C1 | H12 | 180.0° | 180.0° |
| C | N | C1 | C4 | 161.0° | 174.5° |
| C | N | C1 | N1 | 22.5° | 5.5° |
| C8 | C7 | C6 | H3 | 118.9° | 118.9° |
| C8 | C7 | C6 | H4 | 118.9° | 118.9° |
| C7 | C8 | C14 | C9 | 179.3° | 180.0° |
| C7 | C8 | C14 | C13 | 177.3° | 180.0° |
| C8 | C7 | C6 | N3 | 88.3° | 144.6° |
| C8 | C7 | C6 | C10 | 30.2° | 26.4° |
| C7 | C8 | C9 | C10 | 4.0° | 0.0° |
| C7 | C8 | C9 | C11 | 177.6° | 180.0° |
| C8 | C7 | C6 | H2 | 148.0° | 91.9° |
| C8 | C7 | H3 | H4 | 123.2° | 122.1° |
| C7 | C8 | C14 | H15 | 2.6° | 0.0° |
| C6 | C7 | C8 | C14 | 162.6° | 162.8° |
| C6 | C7 | C8 | C9 | 16.7° | 17.2° |
| C7 | C6 | N3 | C5 | 79.0° | 92.1° |
| C7 | C6 | N3 | C10 | 114.7° | 112.9° |
| C7 | C6 | N3 | H2 | 123.0° | 123.7° |
| C7 | C6 | C10 | H2 | 117.7° | 118.5° |
| C7 | C6 | C10 | C9 | 32.5° | 26.4° |
| C7 | C6 | N3 | H1 | 101.0° | 88.0° |
| C6 | C7 | H3 | H4 | 123.2° | 122.2° |
| C7 | C6 | C10 | H5 | 151.4° | 92.6° |
| C7 | C6 | C10 | H6 | 86.4° | 145.4° |
| O1 | C5 | N3 | C4 | 176.3° | 180.0° |
| O1 | C5 | N3 | C6 | 5.1° | 0.0° |
| O1 | C5 | C4 | C1 | 9.2° | 5.4° |
| O1 | C5 | C4 | N2 | 175.5° | 174.6° |
| O1 | C5 | N3 | H1 | 174.9° | 180.0° |
| C8 | C14 | C13 | H15 | 180.0° | 179.9° |
| C8 | C14 | C13 | C12 | 0.4° | 0.0° |
| C14 | C8 | C9 | C10 | 176.6° | 180.0° |
| C14 | C8 | C9 | C11 | 1.8° | 0.0° |
| C14 | C8 | C7 | H3 | 43.7° | 43.9° |
| C14 | C8 | C7 | H4 | 78.5° | 78.2° |
| C8 | C14 | C13 | H7 | 179.6° | 179.9° |
| C13 | C14 | C8 | C9 | 1.9° | 0.1° |
| C14 | C13 | C12 | H7 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 1.2° | 0.0° |
| C14 | C13 | C12 | H14 | 178.8° | 179.9° |
| N | C1 | C4 | C5 | 2.4° | 0.0° |
| N | C1 | C4 | N1 | 176.4° | 180.0° |
| N | C1 | C4 | N2 | 177.5° | 180.0° |
| N | C1 | N1 | C2 | 177.6° | 180.0° |
| C8 | C9 | C10 | C6 | 23.1° | 17.2° |
| C8 | C9 | C10 | C11 | 178.2° | 180.0° |
| C8 | C9 | C11 | C12 | 0.2° | 0.1° |
| C9 | C8 | C7 | H3 | 135.6° | 136.1° |
| C9 | C8 | C7 | H4 | 102.2° | 101.8° |
| C8 | C9 | C10 | H5 | 142.0° | 101.8° |
| C8 | C9 | C10 | H6 | 95.8° | 136.2° |
| C8 | C9 | C11 | H13 | 179.8° | 180.0° |
| C9 | C8 | C14 | H15 | 178.1° | 180.0° |
| C5 | N3 | C6 | H1 | 180.0° | 180.0° |
| C5 | N3 | C6 | C10 | 166.4° | 155.0° |
| N3 | C5 | C4 | C1 | 167.0° | 174.6° |
| N3 | C5 | C4 | N2 | 8.3° | 5.4° |
| C5 | N3 | C6 | H2 | 44.0° | 31.6° |
| C4 | C5 | N3 | C6 | 178.7° | 180.0° |
| C5 | C4 | C1 | N2 | 175.1° | 180.0° |
| C5 | C4 | C1 | N1 | 174.0° | 180.0° |
| C5 | C4 | N2 | C3 | 175.0° | 180.0° |
| C4 | C5 | N3 | H1 | 1.3° | 0.0° |
| C13 | C12 | C11 | C9 | 1.3° | 0.1° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | H13 | 178.7° | 180.0° |
| C12 | C13 | C14 | H15 | 179.6° | 180.0° |
| N3 | C6 | C10 | H2 | 122.9° | 123.4° |
| N3 | C6 | C10 | C9 | 86.9° | 144.6° |
| N3 | C6 | C7 | H3 | 30.6° | 96.5° |
| N3 | C6 | C7 | H4 | 152.8° | 25.6° |
| N3 | C6 | C10 | H5 | 31.9° | 25.6° |
| N3 | C6 | C10 | H6 | 154.2° | 96.4° |
| C6 | C10 | C9 | H5 | 118.9° | 119.0° |
| C6 | C10 | C9 | H6 | 118.9° | 119.0° |
| C6 | C10 | C9 | C11 | 158.6° | 162.8° |
| C10 | C6 | N3 | H1 | 13.6° | 25.0° |
| C10 | C6 | C7 | H3 | 149.1° | 145.3° |
| C10 | C6 | C7 | H4 | 88.7° | 92.6° |
| C6 | C10 | H5 | H6 | 123.2° | 122.1° |
| C4 | C1 | N1 | C2 | 1.1° | 0.0° |
| C1 | C4 | N2 | C3 | 0.3° | 0.0° |
| C4 | C1 | N | H12 | 19.0° | 5.5° |
| N1 | C1 | C4 | N2 | 1.1° | 0.0° |
| C1 | N1 | C2 | C3 | 0.4° | 0.1° |
| N1 | C1 | N | H12 | 157.5° | 174.5° |
| C1 | N1 | C2 | H22 | 179.7° | 180.0° |
| C4 | N2 | C3 | C2 | 0.4° | 0.0° |
| C4 | N2 | C3 | H23 | 179.6° | 180.0° |
| C10 | C9 | C11 | C12 | 177.9° | 179.9° |
| C9 | C10 | C6 | H2 | 150.2° | 92.1° |
| C9 | C10 | H5 | H6 | 123.1° | 122.1° |
| C10 | C9 | C11 | H13 | 2.1° | 0.0° |
| C9 | C11 | C12 | H13 | 180.0° | 179.9° |
| C11 | C9 | C10 | H5 | 39.7° | 78.2° |
| C11 | C9 | C10 | H6 | 82.5° | 43.8° |
| C9 | C11 | C12 | H14 | 178.7° | 179.9° |
| N1 | C2 | C3 | N2 | 0.4° | 0.1° |
| N1 | C2 | C3 | H22 | 180.0° | 179.9° |
| N1 | C2 | C3 | H23 | 179.6° | 180.0° |
| C11 | C12 | C13 | H7 | 178.8° | 180.0° |
| N2 | C3 | C2 | H23 | 180.0° | 179.9° |
| N2 | C3 | C2 | H22 | 179.6° | 180.0° |
| H1 | N3 | C6 | H2 | 136.0° | 148.4° |
| H2 | C6 | C7 | H3 | 93.1° | 27.0° |
| H2 | C6 | C7 | H4 | 29.2° | 149.1° |
| H2 | C6 | C10 | H5 | 91.0° | 149.0° |
| H2 | C6 | C10 | H6 | 31.3° | 27.0° |
| H7 | C13 | C12 | H14 | 1.2° | 0.0° |
| H7 | C13 | C14 | H15 | 0.4° | 0.0° |
| H8 | C15 | C16 | H16 | 176.2° | 174.9° |
| H8 | C15 | C16 | H17 | 56.7° | 54.8° |
| H9 | C15 | C16 | H16 | 56.4° | 54.5° |
| H9 | C15 | C16 | H17 | 63.1° | 65.6° |
| H10 | C17 | C16 | H16 | 52.0° | 61.4° |
| H10 | C17 | C16 | H17 | 67.5° | 58.7° |
| H10 | C17 | C18 | H18 | 49.5° | 61.4° |
| H10 | C17 | C18 | H19 | 69.9° | 58.6° |
| H11 | C17 | C16 | H16 | 171.3° | 178.6° |
| H11 | C17 | C16 | H17 | 51.8° | 61.4° |
| H11 | C17 | C18 | H18 | 168.9° | 178.5° |
| H11 | C17 | C18 | H19 | 49.4° | 61.4° |
| H13 | C11 | C12 | H14 | 1.3° | 0.0° |
| H18 | C18 | C19 | H20 | 171.5° | 54.5° |
| H18 | C18 | C19 | H21 | 52.0° | 174.8° |
| H19 | C18 | C19 | H20 | 52.0° | 65.6° |
| H19 | C18 | C19 | H21 | 67.4° | 54.7° |
| H22 | C2 | C3 | H23 | 0.4° | 0.1° |
