M4H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C2 | sing | 1.36Å | 1.36Å | |
| O10 | C1 | doub | 1.22Å | 1.25Å | |
| C2 | C1 | sing | 1.42Å | 1.48Å | |
| C2 | C3 | doub | 1.35Å | 1.39Å | |
| C1 | C6 | sing | 1.47Å | 1.48Å | |
| C3 | N4 | sing | 1.36Å | 1.35Å | |
| O8 | C7 | doub | 1.22Å | 1.25Å | |
| C6 | C7 | sing | 1.47Å | 1.50Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | |
| N4 | C5 | sing | 1.34Å | 1.35Å | |
| N4 | C12 | sing | 1.46Å | 1.48Å | |
| C7 | O9 | sing | 1.35Å | 1.25Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C14 | C13 | sing | 1.54Å | 1.53Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | N18 | sing | 1.47Å | 1.50Å | |
| C13 | C17 | sing | 1.54Å | 1.53Å | |
| C22 | N18 | sing | 1.37Å | 1.35Å | Aromatic |
| C22 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.37Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C21 | C20 | sing | 1.46Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.47Å | Aromatic |
| C19 | N26 | sing | 1.33Å | 1.36Å | Aromatic |
| C20 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| N26 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| O11 | H18 | sing | 0.97Å | 0.95Å | |
| O9 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C2 | C1 | 121.0° | 120.4° |
| O11 | C2 | C3 | 120.6° | 120.4° |
| C2 | O11 | H18 | 109.5° | 114.0° |
| O10 | C1 | C2 | 121.2° | 121.1° |
| O10 | C1 | C6 | 122.2° | 121.1° |
| C1 | C2 | C3 | 118.4° | 119.3° |
| C2 | C1 | C6 | 116.5° | 117.8° |
| C2 | C3 | N4 | 122.6° | 121.7° |
| C2 | C3 | H2 | 118.7° | 119.1° |
| C1 | C6 | C7 | 122.3° | 120.8° |
| C1 | C6 | C5 | 118.0° | 118.3° |
| C3 | N4 | C5 | 121.2° | 122.4° |
| C3 | N4 | C12 | 120.9° | 118.7° |
| N4 | C3 | H2 | 118.7° | 119.2° |
| O8 | C7 | C6 | 119.9° | 120.0° |
| O8 | C7 | O9 | 121.6° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.8° |
| C6 | C7 | O9 | 118.6° | 120.0° |
| C6 | C5 | N4 | 123.1° | 120.4° |
| C6 | C5 | H1 | 118.4° | 119.8° |
| C5 | N4 | C12 | 117.8° | 118.8° |
| N4 | C5 | H1 | 118.5° | 119.7° |
| N4 | C12 | C13 | 117.2° | 109.4° |
| N4 | C12 | H3 | 107.5° | 109.5° |
| N4 | C12 | H4 | 107.5° | 109.5° |
| C7 | O9 | H19 | 109.5° | 117.0° |
| C15 | C14 | C13 | 108.8° | 104.2° |
| C14 | C15 | C16 | 106.3° | 102.7° |
| C15 | C14 | H5 | 109.6° | 110.5° |
| C15 | C14 | H6 | 109.6° | 110.5° |
| C14 | C15 | H7 | 110.3° | 110.8° |
| C14 | C15 | H8 | 110.3° | 110.8° |
| C14 | C13 | C12 | 115.9° | 110.0° |
| C14 | C13 | N18 | 110.0° | 110.0° |
| C14 | C13 | C17 | 105.3° | 106.6° |
| C13 | C14 | H5 | 109.7° | 110.5° |
| C13 | C14 | H6 | 109.7° | 110.4° |
| C15 | C16 | C17 | 106.5° | 104.2° |
| C16 | C15 | H7 | 110.3° | 110.7° |
| C16 | C15 | H8 | 110.2° | 110.7° |
| C15 | C16 | H9 | 110.2° | 110.5° |
| C15 | C16 | H10 | 110.2° | 110.5° |
| C12 | C13 | N18 | 108.2° | 110.0° |
| C12 | C13 | C17 | 108.0° | 110.0° |
| C13 | C12 | H3 | 107.5° | 109.5° |
| C13 | C12 | H4 | 107.5° | 109.4° |
| N18 | C13 | C17 | 109.3° | 110.0° |
| C13 | N18 | C22 | 120.4° | 125.0° |
| C13 | N18 | C19 | 124.2° | 125.0° |
| C13 | C17 | C16 | 109.2° | 106.6° |
| C13 | C17 | H11 | 109.5° | 110.1° |
| C13 | C17 | H12 | 109.5° | 110.1° |
| N18 | C22 | C21 | 109.3° | 109.9° |
| C22 | N18 | C19 | 115.5° | 110.0° |
| N18 | C22 | H14 | 125.4° | 125.0° |
| C22 | C21 | C20 | 103.2° | 106.9° |
| C22 | C21 | H13 | 128.4° | 126.6° |
| C21 | C22 | H14 | 125.4° | 125.0° |
| N18 | C19 | C20 | 100.7° | 106.9° |
| N18 | C19 | N26 | 139.5° | 133.2° |
| C17 | C16 | H9 | 110.2° | 110.5° |
| C17 | C16 | H10 | 110.2° | 110.5° |
| C16 | C17 | H11 | 109.5° | 110.1° |
| C16 | C17 | H12 | 109.6° | 110.0° |
| C21 | C20 | C19 | 111.3° | 106.2° |
| C21 | C20 | C23 | 129.5° | 134.3° |
| C20 | C21 | H13 | 128.4° | 126.6° |
| C20 | C19 | N26 | 119.8° | 119.9° |
| C19 | C20 | C23 | 119.2° | 119.4° |
| C19 | N26 | C25 | 120.1° | 121.7° |
| C20 | C23 | C24 | 118.1° | 118.0° |
| C20 | C23 | H15 | 120.9° | 121.0° |
| N26 | C25 | C24 | 121.8° | 121.6° |
| N26 | C25 | H17 | 119.1° | 119.2° |
| C23 | C24 | C25 | 121.1° | 119.4° |
| C24 | C23 | H15 | 121.0° | 121.0° |
| C23 | C24 | H16 | 119.5° | 120.3° |
| C25 | C24 | H16 | 119.5° | 120.3° |
| C24 | C25 | H17 | 119.1° | 119.2° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 110.6° |
| H7 | C15 | H8 | 109.5° | 110.8° |
| H9 | C16 | H10 | 109.5° | 110.5° |
| H11 | C17 | H12 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C2 | C1 | O10 | 0.0° | 0.0° |
| O11 | C2 | C1 | C3 | 179.5° | 179.8° |
| O11 | C2 | C1 | C6 | 179.8° | 180.0° |
| O11 | C2 | C3 | N4 | 178.5° | 180.0° |
| O11 | C2 | C3 | H2 | 1.5° | 0.0° |
| O10 | C1 | C2 | C6 | 179.8° | 179.9° |
| O10 | C1 | C2 | C3 | 179.5° | 179.8° |
| O10 | C1 | C6 | C7 | 0.4° | 0.1° |
| O10 | C1 | C6 | C5 | 179.3° | 179.9° |
| C1 | C2 | C3 | N4 | 1.9° | 0.3° |
| C2 | C1 | C6 | C7 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C1 | C2 | C3 | H2 | 178.0° | 179.7° |
| C1 | C2 | O11 | H18 | 0.0° | 0.0° |
| C3 | C2 | C1 | C6 | 0.6° | 0.3° |
| C2 | C3 | N4 | H2 | 180.0° | 180.0° |
| C2 | C3 | N4 | C5 | 3.5° | 0.0° |
| C2 | C3 | N4 | C12 | 179.5° | 180.0° |
| C3 | C2 | O11 | H18 | 179.5° | 179.7° |
| C1 | C6 | C7 | O8 | 35.6° | 179.9° |
| C1 | C6 | C7 | C5 | 178.9° | 179.9° |
| C1 | C6 | C5 | N4 | 2.4° | 0.3° |
| C1 | C6 | C7 | O9 | 144.3° | 0.1° |
| C1 | C6 | C5 | H1 | 177.6° | 180.0° |
| C3 | N4 | C5 | C6 | 3.8° | 0.3° |
| C3 | N4 | C5 | C12 | 176.2° | 180.0° |
| C3 | N4 | C12 | C13 | 90.8° | 94.8° |
| C3 | N4 | C5 | H1 | 176.2° | 180.0° |
| C3 | N4 | C12 | H3 | 148.1° | 25.2° |
| C3 | N4 | C12 | H4 | 30.3° | 145.3° |
| O8 | C7 | C6 | O9 | 179.9° | 180.0° |
| O8 | C7 | C6 | C5 | 145.5° | 0.0° |
| O8 | C7 | O9 | H19 | 0.0° | 0.0° |
| C7 | C6 | C5 | N4 | 178.6° | 179.7° |
| C7 | C6 | C5 | H1 | 1.4° | 0.1° |
| C6 | C7 | O9 | H19 | 179.9° | 180.0° |
| C6 | C5 | N4 | H1 | 180.0° | 179.7° |
| C6 | C5 | N4 | C12 | 179.9° | 179.7° |
| C5 | C6 | C7 | O9 | 34.6° | 180.0° |
| C5 | N4 | C12 | C13 | 93.0° | 85.3° |
| C5 | N4 | C3 | H2 | 176.5° | 180.0° |
| C5 | N4 | C12 | H3 | 28.1° | 154.7° |
| C5 | N4 | C12 | H4 | 145.9° | 34.6° |
| N4 | C12 | C13 | C14 | 63.7° | 56.3° |
| N4 | C12 | C13 | H3 | 121.1° | 120.1° |
| N4 | C12 | C13 | H4 | 121.1° | 119.9° |
| N4 | C12 | C13 | N18 | 60.2° | 65.1° |
| N4 | C12 | C13 | C17 | 178.5° | 173.5° |
| C12 | N4 | C5 | H1 | 0.0° | 0.0° |
| C12 | N4 | C3 | H2 | 0.4° | 0.0° |
| N4 | C12 | H3 | H4 | 116.5° | 120.1° |
| C15 | C14 | C13 | H5 | 119.9° | 118.7° |
| C15 | C14 | C13 | H6 | 119.9° | 118.6° |
| C14 | C15 | C16 | H7 | 119.5° | 118.3° |
| C14 | C15 | C16 | H8 | 119.5° | 118.3° |
| C15 | C14 | C13 | C12 | 110.2° | 142.9° |
| C15 | C14 | C13 | N18 | 126.8° | 95.7° |
| C15 | C14 | C13 | C17 | 9.1° | 23.6° |
| C14 | C15 | C16 | C17 | 20.1° | 38.0° |
| C15 | C14 | H5 | H6 | 120.3° | 122.6° |
| C14 | C15 | H7 | H8 | 121.5° | 123.4° |
| C14 | C15 | C16 | H9 | 139.7° | 80.8° |
| C14 | C15 | C16 | H10 | 99.4° | 156.6° |
| C13 | C14 | C15 | C16 | 18.3° | 37.9° |
| C14 | C13 | C12 | N18 | 124.0° | 121.4° |
| C14 | C13 | C12 | C17 | 117.8° | 117.2° |
| C14 | C13 | N18 | C17 | 115.1° | 117.2° |
| C14 | C13 | N18 | C22 | 11.3° | 0.5° |
| C14 | C13 | N18 | C19 | 169.4° | 179.9° |
| C14 | C13 | C17 | C16 | 3.6° | 0.1° |
| C14 | C13 | C12 | H3 | 175.1° | 63.8° |
| C14 | C13 | C12 | H4 | 57.4° | 176.2° |
| C13 | C14 | H5 | H6 | 120.3° | 122.6° |
| C13 | C14 | C15 | H7 | 101.2° | 156.2° |
| C13 | C14 | C15 | H8 | 137.8° | 80.3° |
| C14 | C13 | C17 | H11 | 123.6° | 119.3° |
| C14 | C13 | C17 | H12 | 116.4° | 119.3° |
| C15 | C16 | C17 | C13 | 14.9° | 23.7° |
| C15 | C16 | C17 | H9 | 119.5° | 118.7° |
| C15 | C16 | C17 | H10 | 119.5° | 118.6° |
| C16 | C15 | C14 | H5 | 101.6° | 80.7° |
| C16 | C15 | C14 | H6 | 138.2° | 156.6° |
| C16 | C15 | H7 | H8 | 121.5° | 123.3° |
| C15 | C16 | H9 | H10 | 121.3° | 122.6° |
| C15 | C16 | C17 | H11 | 134.8° | 95.7° |
| C15 | C16 | C17 | H12 | 105.1° | 143.0° |
| C12 | C13 | N18 | C17 | 117.4° | 121.4° |
| C12 | C13 | N18 | C22 | 116.1° | 121.9° |
| C12 | C13 | N18 | C19 | 63.2° | 58.5° |
| C12 | C13 | C17 | C16 | 128.0° | 119.2° |
| C13 | C12 | H3 | H4 | 116.5° | 120.0° |
| C12 | C13 | C14 | H5 | 130.0° | 24.2° |
| C12 | C13 | C14 | H6 | 9.7° | 98.5° |
| C12 | C13 | C17 | H11 | 112.1° | 121.4° |
| C12 | C13 | C17 | H12 | 8.0° | 0.0° |
| C13 | N18 | C22 | C19 | 179.4° | 179.6° |
| C13 | N18 | C22 | C21 | 179.6° | 180.0° |
| N18 | C13 | C17 | C16 | 114.5° | 119.4° |
| C13 | N18 | C19 | C20 | 179.6° | 180.0° |
| C13 | N18 | C19 | N26 | 0.4° | 0.2° |
| N18 | C13 | C12 | H3 | 60.9° | 174.8° |
| N18 | C13 | C12 | H4 | 178.6° | 54.8° |
| N18 | C13 | C14 | H5 | 6.9° | 145.6° |
| N18 | C13 | C14 | H6 | 113.3° | 22.9° |
| N18 | C13 | C17 | H11 | 5.5° | 0.0° |
| N18 | C13 | C17 | H12 | 125.5° | 121.4° |
| C13 | N18 | C22 | H14 | 0.5° | 0.4° |
| C17 | C13 | N18 | C22 | 126.5° | 116.7° |
| C17 | C13 | N18 | C19 | 54.2° | 62.9° |
| C13 | C17 | C16 | H11 | 120.0° | 119.3° |
| C13 | C17 | C16 | H12 | 120.0° | 119.3° |
| C17 | C13 | C12 | H3 | 57.4° | 53.4° |
| C17 | C13 | C12 | H4 | 60.4° | 66.6° |
| C17 | C13 | C14 | H5 | 110.8° | 95.1° |
| C17 | C13 | C14 | H6 | 129.0° | 142.2° |
| C13 | C17 | C16 | H9 | 134.4° | 95.0° |
| C13 | C17 | C16 | H10 | 104.6° | 142.3° |
| C13 | C17 | H11 | H12 | 120.1° | 121.4° |
| N18 | C22 | C21 | H14 | 180.0° | 179.6° |
| N18 | C22 | C21 | C20 | 0.0° | 0.3° |
| C22 | N18 | C19 | C20 | 0.3° | 0.3° |
| C22 | N18 | C19 | N26 | 179.8° | 179.9° |
| N18 | C22 | C21 | H13 | 180.0° | 179.8° |
| C21 | C22 | N18 | C19 | 0.2° | 0.4° |
| C22 | C21 | C20 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.2° | 0.1° |
| C22 | C21 | C20 | C23 | 179.9° | 180.0° |
| N18 | C19 | C20 | C21 | 0.3° | 0.2° |
| N18 | C19 | C20 | N26 | 180.0° | 179.8° |
| N18 | C19 | C20 | C23 | 179.8° | 179.8° |
| N18 | C19 | N26 | C25 | 179.6° | 179.8° |
| C19 | N18 | C22 | H14 | 179.8° | 180.0° |
| C17 | C16 | C15 | H7 | 99.4° | 156.3° |
| C17 | C16 | C15 | H8 | 139.6° | 80.3° |
| C17 | C16 | H9 | H10 | 121.4° | 122.6° |
| C16 | C17 | H11 | H12 | 120.1° | 121.4° |
| C21 | C20 | C19 | C23 | 180.0° | 180.0° |
| C21 | C20 | C19 | N26 | 179.8° | 180.0° |
| C21 | C20 | C23 | C24 | 179.9° | 179.9° |
| C20 | C21 | C22 | H14 | 180.0° | 179.8° |
| C21 | C20 | C23 | H15 | 0.1° | 0.0° |
| C20 | C19 | N26 | C25 | 0.3° | 0.0° |
| C19 | C20 | C23 | C24 | 0.1° | 0.0° |
| C19 | C20 | C21 | H13 | 179.8° | 180.0° |
| C19 | C20 | C23 | H15 | 179.9° | 180.0° |
| N26 | C19 | C20 | C23 | 0.2° | 0.0° |
| C19 | N26 | C25 | C24 | 0.3° | 0.1° |
| C19 | N26 | C25 | H17 | 179.7° | 179.9° |
| C20 | C23 | C24 | H15 | 180.0° | 179.9° |
| C20 | C23 | C24 | C25 | 0.0° | 0.1° |
| C23 | C20 | C21 | H13 | 0.2° | 0.0° |
| C20 | C23 | C24 | H16 | 180.0° | 179.9° |
| N26 | C25 | C24 | C23 | 0.1° | 0.1° |
| N26 | C25 | C24 | H17 | 180.0° | 180.0° |
| N26 | C25 | C24 | H16 | 179.9° | 180.0° |
| C23 | C24 | C25 | H16 | 180.0° | 179.9° |
| C23 | C24 | C25 | H17 | 179.9° | 179.9° |
| C25 | C24 | C23 | H15 | 180.0° | 180.0° |
| H5 | C14 | C15 | H7 | 138.9° | 37.6° |
| H5 | C14 | C15 | H8 | 17.9° | 161.0° |
| H6 | C14 | C15 | H7 | 18.7° | 85.1° |
| H6 | C14 | C15 | H8 | 102.3° | 38.3° |
| H7 | C15 | C16 | H9 | 20.2° | 37.6° |
| H7 | C15 | C16 | H10 | 141.1° | 85.0° |
| H8 | C15 | C16 | H9 | 100.9° | 160.9° |
| H8 | C15 | C16 | H10 | 20.1° | 38.3° |
| H9 | C16 | C17 | H11 | 105.6° | 145.6° |
| H9 | C16 | C17 | H12 | 14.4° | 24.3° |
| H10 | C16 | C17 | H11 | 15.3° | 23.0° |
| H10 | C16 | C17 | H12 | 135.4° | 98.4° |
| H13 | C21 | C22 | H14 | 0.1° | 0.2° |
| H15 | C23 | C24 | H16 | 0.0° | 0.1° |
| H16 | C24 | C25 | H17 | 0.1° | 0.1° |
