MVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | N2 | sing | 1.47Å | 1.48Å | |
| C7 | C3 | sing | 1.53Å | 1.48Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| C3 | C9 | sing | 1.53Å | 1.50Å | |
| C1 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | N1 | sing | 1.47Å | 1.49Å | |
| C8 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C6 | sing | 1.32Å | 1.31Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.39Å | 1.45Å | |
| C6 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.46Å | |
| C11 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | CL | sing | 1.74Å | 1.77Å | |
| C5 | O1 | doub | 1.22Å | 1.18Å | |
| C5 | C12 | sing | 1.48Å | 1.54Å | |
| C12 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | N4 | sing | 1.40Å | 1.43Å | |
| N4 | N5 | sing | 1.40Å | 1.30Å | Aromatic |
| N4 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| N5 | N6 | doub | 1.29Å | 1.31Å | Aromatic |
| C22 | N7 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| N6 | C18 | sing | 1.35Å | 1.38Å | Aromatic |
| N7 | C21 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C4 | N2 | 108.5° | 109.6° |
| C4 | C7 | C3 | 112.0° | 109.2° |
| C4 | C7 | H1 | 108.8° | 109.5° |
| C4 | C7 | H2 | 108.8° | 109.5° |
| C7 | C4 | H15 | 109.7° | 109.5° |
| C7 | C4 | H16 | 109.7° | 109.5° |
| C4 | N2 | C1 | 110.0° | 111.2° |
| N2 | C4 | H15 | 109.7° | 109.5° |
| N2 | C4 | H16 | 109.7° | 109.4° |
| C4 | N2 | H18 | 109.3° | 111.0° |
| C7 | C3 | C9 | 119.4° | 109.2° |
| C3 | C7 | H1 | 108.9° | 109.5° |
| C3 | C7 | H2 | 108.8° | 109.5° |
| C7 | C3 | H8 | 106.9° | 109.5° |
| C7 | C3 | H9 | 106.9° | 109.5° |
| N2 | C1 | C9 | 114.8° | 109.5° |
| N2 | C1 | H10 | 108.1° | 109.5° |
| N2 | C1 | H11 | 108.1° | 109.5° |
| C1 | N2 | H18 | 109.3° | 111.0° |
| C3 | C9 | C1 | 113.2° | 109.3° |
| C3 | C9 | N1 | 109.3° | 109.5° |
| C9 | C3 | H8 | 106.9° | 109.5° |
| C9 | C3 | H9 | 106.9° | 109.5° |
| C3 | C9 | H17 | 109.2° | 109.5° |
| C1 | C9 | N1 | 106.9° | 109.5° |
| C9 | C1 | H10 | 108.1° | 109.4° |
| C9 | C1 | H11 | 108.1° | 109.5° |
| C1 | C9 | H17 | 108.8° | 109.5° |
| C9 | N1 | C6 | 122.0° | 120.0° |
| C9 | N1 | C5 | 120.2° | 120.0° |
| N1 | C9 | H17 | 109.4° | 109.5° |
| N3 | C8 | C10 | 121.0° | 120.9° |
| C8 | N3 | C6 | 121.8° | 121.7° |
| N3 | C8 | H5 | 119.5° | 119.6° |
| C8 | C10 | C11 | 119.0° | 119.3° |
| C10 | C8 | H5 | 119.5° | 119.5° |
| C8 | C10 | H14 | 120.5° | 120.4° |
| N3 | C6 | N1 | 120.4° | 119.7° |
| N3 | C6 | C2 | 119.5° | 120.6° |
| C10 | C11 | C2 | 117.7° | 118.4° |
| C10 | C11 | H12 | 121.2° | 120.8° |
| C11 | C10 | H14 | 120.5° | 120.3° |
| N1 | C6 | C2 | 120.0° | 119.7° |
| C6 | N1 | C5 | 117.8° | 120.0° |
| C6 | C2 | C11 | 120.8° | 119.1° |
| C6 | C2 | CL | 121.1° | 120.4° |
| N1 | C5 | O1 | 120.2° | 120.0° |
| N1 | C5 | C12 | 122.8° | 120.0° |
| C11 | C2 | CL | 118.1° | 120.4° |
| C2 | C11 | H12 | 121.1° | 120.8° |
| O1 | C5 | C12 | 117.0° | 120.0° |
| C5 | C12 | C17 | 122.3° | 120.0° |
| C5 | C12 | C13 | 117.9° | 120.1° |
| C17 | C12 | C13 | 119.7° | 119.8° |
| C12 | C17 | C16 | 120.4° | 119.9° |
| C12 | C17 | H20 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.1° | 119.9° |
| C12 | C13 | H3 | 119.9° | 120.0° |
| C17 | C16 | C15 | 118.5° | 120.1° |
| C17 | C16 | H6 | 120.8° | 119.9° |
| C16 | C17 | H20 | 119.8° | 120.1° |
| C13 | C14 | C15 | 119.1° | 120.1° |
| C14 | C13 | H3 | 119.9° | 120.1° |
| C13 | C14 | H13 | 120.4° | 120.0° |
| C16 | C15 | C14 | 122.1° | 120.1° |
| C16 | C15 | N4 | 118.5° | 119.9° |
| C15 | C16 | H6 | 120.8° | 120.0° |
| C14 | C15 | N4 | 119.4° | 119.9° |
| C15 | C14 | H13 | 120.4° | 119.9° |
| C15 | N4 | N5 | 125.0° | 126.6° |
| C15 | N4 | C22 | 124.1° | 126.7° |
| N5 | N4 | C22 | 110.8° | 106.7° |
| N4 | N5 | N6 | 109.4° | 109.5° |
| N4 | C22 | N7 | 134.2° | 133.8° |
| N4 | C22 | C18 | 104.7° | 105.9° |
| N5 | N6 | C18 | 108.7° | 110.1° |
| N7 | C22 | C18 | 121.2° | 120.4° |
| C22 | N7 | C21 | 122.6° | 121.4° |
| C22 | C18 | N6 | 106.4° | 107.8° |
| C22 | C18 | C19 | 117.8° | 118.8° |
| N6 | C18 | C19 | 135.8° | 133.4° |
| N7 | C21 | C20 | 119.9° | 121.4° |
| N7 | C21 | H21 | 120.1° | 119.3° |
| C18 | C19 | C20 | 119.7° | 118.3° |
| C18 | C19 | H7 | 120.1° | 120.8° |
| C21 | C20 | C19 | 118.9° | 119.8° |
| C21 | C20 | H4 | 120.6° | 120.1° |
| C20 | C21 | H21 | 120.1° | 119.3° |
| C19 | C20 | H4 | 120.5° | 120.1° |
| C20 | C19 | H7 | 120.2° | 120.9° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H15 | C4 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C4 | N2 | H15 | 119.8° | 120.0° |
| C7 | C4 | N2 | H16 | 119.9° | 120.0° |
| C4 | C7 | C3 | H1 | 120.4° | 119.9° |
| C4 | C7 | C3 | H2 | 120.4° | 120.0° |
| C7 | C4 | N2 | C1 | 65.8° | 61.8° |
| C4 | C7 | C3 | C9 | 38.5° | 57.7° |
| C4 | C7 | H1 | H2 | 118.8° | 120.1° |
| C4 | C7 | C3 | H8 | 159.9° | 177.6° |
| C4 | C7 | C3 | H9 | 82.9° | 62.3° |
| C7 | C4 | H15 | H16 | 120.4° | 120.0° |
| C7 | C4 | N2 | H18 | 174.1° | 174.2° |
| N2 | C4 | C7 | C3 | 56.1° | 59.2° |
| C4 | N2 | C1 | H18 | 120.1° | 124.1° |
| C4 | N2 | C1 | C9 | 56.6° | 61.8° |
| N2 | C4 | C7 | H1 | 64.3° | 179.1° |
| N2 | C4 | C7 | H2 | 176.5° | 60.8° |
| C4 | N2 | C1 | H10 | 64.2° | 178.3° |
| C4 | N2 | C1 | H11 | 177.3° | 58.3° |
| N2 | C4 | H15 | H16 | 120.5° | 119.9° |
| C7 | C3 | C9 | H8 | 121.4° | 119.9° |
| C7 | C3 | C9 | H9 | 121.4° | 119.9° |
| C7 | C3 | C9 | C1 | 27.7° | 57.7° |
| C7 | C3 | C9 | N1 | 146.8° | 177.6° |
| C3 | C7 | H1 | H2 | 118.9° | 120.1° |
| C7 | C3 | H8 | H9 | 115.5° | 120.1° |
| C3 | C7 | C4 | H15 | 63.7° | 60.9° |
| C3 | C7 | C4 | H16 | 176.0° | 179.2° |
| C7 | C3 | C9 | H17 | 93.6° | 62.3° |
| N2 | C1 | C9 | C3 | 36.0° | 59.2° |
| N2 | C1 | C9 | H10 | 120.8° | 120.0° |
| N2 | C1 | C9 | H11 | 120.8° | 120.1° |
| N2 | C1 | C9 | N1 | 156.4° | 179.1° |
| N2 | C1 | H10 | H11 | 117.6° | 120.0° |
| C1 | N2 | C4 | H15 | 54.0° | 58.3° |
| C1 | N2 | C4 | H16 | 174.4° | 178.2° |
| N2 | C1 | C9 | H17 | 85.6° | 60.7° |
| C3 | C9 | C1 | N1 | 120.4° | 119.9° |
| C3 | C9 | C1 | H17 | 121.6° | 120.0° |
| C3 | C9 | N1 | H17 | 119.5° | 120.1° |
| C3 | C9 | N1 | C6 | 18.3° | 120.0° |
| C3 | C9 | N1 | C5 | 162.7° | 60.0° |
| C9 | C3 | C7 | H1 | 81.9° | 177.6° |
| C9 | C3 | C7 | H2 | 158.9° | 62.3° |
| C9 | C3 | H8 | H9 | 115.5° | 120.2° |
| C3 | C9 | C1 | H10 | 84.8° | 179.2° |
| C3 | C9 | C1 | H11 | 156.8° | 60.8° |
| C1 | C9 | N1 | H17 | 117.6° | 120.1° |
| C1 | C9 | N1 | C6 | 104.6° | 120.2° |
| C1 | C9 | N1 | C5 | 74.5° | 59.8° |
| C1 | C9 | C3 | H8 | 149.1° | 177.6° |
| C1 | C9 | C3 | H9 | 93.7° | 62.2° |
| C9 | C1 | H10 | H11 | 117.6° | 120.0° |
| C9 | C1 | N2 | H18 | 176.6° | 174.2° |
| C9 | N1 | C6 | N3 | 74.7° | 82.9° |
| C9 | N1 | C6 | C5 | 179.1° | 180.0° |
| C9 | N1 | C6 | C2 | 108.7° | 97.5° |
| C9 | N1 | C5 | O1 | 1.4° | 5.8° |
| C9 | N1 | C5 | C12 | 178.8° | 174.3° |
| N1 | C9 | C3 | H8 | 91.9° | 62.5° |
| N1 | C9 | C3 | H9 | 25.3° | 57.7° |
| N1 | C9 | C1 | H10 | 35.6° | 60.9° |
| N1 | C9 | C1 | H11 | 82.8° | 59.1° |
| N3 | C8 | C10 | H5 | 180.0° | 179.5° |
| N3 | C8 | C10 | C11 | 0.1° | 0.2° |
| C8 | N3 | C6 | N1 | 179.6° | 179.8° |
| C8 | N3 | C6 | C2 | 3.0° | 0.5° |
| N3 | C8 | C10 | H14 | 179.9° | 180.0° |
| C10 | C8 | N3 | C6 | 1.7° | 0.5° |
| C8 | C10 | C11 | H14 | 180.0° | 179.7° |
| C8 | C10 | C11 | C2 | 0.5° | 0.0° |
| C8 | C10 | C11 | H12 | 179.5° | 180.0° |
| N3 | C6 | N1 | C2 | 176.5° | 179.7° |
| N3 | C6 | N1 | C5 | 104.4° | 97.1° |
| N3 | C6 | C2 | C11 | 2.5° | 0.3° |
| N3 | C6 | C2 | CL | 179.0° | 179.7° |
| C6 | N3 | C8 | H5 | 178.2° | 180.0° |
| C10 | C11 | C2 | C6 | 0.7° | 0.0° |
| C10 | C11 | C2 | H12 | 180.0° | 180.0° |
| C10 | C11 | C2 | CL | 179.2° | 180.0° |
| C11 | C10 | C8 | H5 | 179.9° | 179.7° |
| N1 | C6 | C2 | C11 | 179.1° | 180.0° |
| N1 | C6 | C2 | CL | 2.5° | 0.0° |
| C6 | N1 | C5 | O1 | 179.5° | 174.2° |
| C6 | N1 | C5 | C12 | 0.2° | 5.7° |
| C6 | N1 | C9 | H17 | 137.8° | 0.1° |
| C2 | C6 | N1 | C5 | 72.2° | 82.6° |
| C6 | C2 | C11 | CL | 178.5° | 180.0° |
| C6 | C2 | C11 | H12 | 179.3° | 180.0° |
| N1 | C5 | O1 | C12 | 179.8° | 179.9° |
| N1 | C5 | C12 | C17 | 65.7° | 144.7° |
| N1 | C5 | C12 | C13 | 116.3° | 35.3° |
| C5 | N1 | C9 | H17 | 43.1° | 179.9° |
| C2 | C11 | C10 | H14 | 179.5° | 179.7° |
| CL | C2 | C11 | H12 | 0.8° | 0.0° |
| O1 | C5 | C12 | C17 | 114.6° | 35.3° |
| O1 | C5 | C12 | C13 | 63.4° | 144.7° |
| C5 | C12 | C17 | C13 | 178.0° | 180.0° |
| C5 | C12 | C17 | C16 | 179.0° | 180.0° |
| C5 | C12 | C13 | C14 | 179.4° | 180.0° |
| C5 | C12 | C13 | H3 | 0.6° | 0.3° |
| C5 | C12 | C17 | H20 | 1.0° | 0.1° |
| C12 | C17 | C16 | H20 | 180.0° | 179.9° |
| C17 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.3° |
| C17 | C12 | C13 | H3 | 178.6° | 179.7° |
| C12 | C17 | C16 | H6 | 179.8° | 179.8° |
| C13 | C12 | C17 | C16 | 1.0° | 0.0° |
| C12 | C13 | C14 | H3 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.5° | 0.3° |
| C12 | C13 | C14 | H13 | 179.5° | 179.7° |
| C13 | C12 | C17 | H20 | 179.0° | 179.9° |
| C17 | C16 | C15 | H6 | 180.0° | 179.5° |
| C17 | C16 | C15 | C14 | 1.1° | 0.6° |
| C17 | C16 | C15 | N4 | 179.5° | 179.5° |
| C13 | C14 | C15 | C16 | 0.8° | 0.6° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | N4 | 179.1° | 179.5° |
| C16 | C15 | C14 | N4 | 178.3° | 179.9° |
| C16 | C15 | N4 | N5 | 51.4° | 35.1° |
| C16 | C15 | N4 | C22 | 126.5° | 144.4° |
| C16 | C15 | C14 | H13 | 179.2° | 179.4° |
| C15 | C16 | C17 | H20 | 179.7° | 179.8° |
| C14 | C15 | N4 | N5 | 130.2° | 145.0° |
| C14 | C15 | N4 | C22 | 51.9° | 35.5° |
| C15 | C14 | C13 | H3 | 179.5° | 180.0° |
| C14 | C15 | C16 | H6 | 178.9° | 179.9° |
| C15 | N4 | N5 | C22 | 178.2° | 179.6° |
| C15 | N4 | N5 | N6 | 178.4° | 180.0° |
| C15 | N4 | C22 | N7 | 1.4° | 0.4° |
| C15 | N4 | C22 | C18 | 178.7° | 179.8° |
| N4 | C15 | C16 | H6 | 0.5° | 0.0° |
| N4 | C15 | C14 | H13 | 0.9° | 0.5° |
| N5 | N4 | C22 | N7 | 179.5° | 180.0° |
| N5 | N4 | C22 | C18 | 0.6° | 0.2° |
| N4 | N5 | N6 | C18 | 0.2° | 0.5° |
| C22 | N4 | N5 | N6 | 0.2° | 0.4° |
| N4 | C22 | N7 | C18 | 179.9° | 179.8° |
| N4 | C22 | C18 | N6 | 0.7° | 0.1° |
| N4 | C22 | N7 | C21 | 179.4° | 180.0° |
| N4 | C22 | C18 | C19 | 179.7° | 180.0° |
| N5 | N6 | C18 | C22 | 0.6° | 0.4° |
| N5 | N6 | C18 | C19 | 179.8° | 179.7° |
| N7 | C22 | C18 | N6 | 179.4° | 179.7° |
| N7 | C22 | C18 | C19 | 0.3° | 0.2° |
| C22 | N7 | C21 | C20 | 0.7° | 0.0° |
| C22 | N7 | C21 | H21 | 179.3° | 180.0° |
| C22 | C18 | N6 | C19 | 179.6° | 179.9° |
| C18 | C22 | N7 | C21 | 0.5° | 0.2° |
| C22 | C18 | C19 | C20 | 0.2° | 0.1° |
| C22 | C18 | C19 | H7 | 179.8° | 180.0° |
| N6 | C18 | C19 | C20 | 179.4° | 180.0° |
| N6 | C18 | C19 | H7 | 0.6° | 0.1° |
| N7 | C21 | C20 | H21 | 180.0° | 180.0° |
| N7 | C21 | C20 | C19 | 0.6° | 0.3° |
| N7 | C21 | C20 | H4 | 179.3° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C18 | C19 | C20 | H7 | 180.0° | 179.9° |
| C18 | C19 | C20 | H4 | 179.6° | 180.0° |
| C21 | C20 | C19 | H4 | 180.0° | 179.7° |
| C21 | C20 | C19 | H7 | 179.6° | 179.8° |
| C19 | C20 | C21 | H21 | 179.4° | 179.7° |
| H1 | C7 | C3 | H8 | 39.5° | 62.5° |
| H1 | C7 | C3 | H9 | 156.7° | 57.6° |
| H1 | C7 | C4 | H15 | 175.9° | 59.1° |
| H1 | C7 | C4 | H16 | 55.6° | 60.9° |
| H2 | C7 | C3 | H8 | 79.7° | 57.6° |
| H2 | C7 | C3 | H9 | 37.5° | 177.8° |
| H2 | C7 | C4 | H15 | 56.6° | 179.2° |
| H2 | C7 | C4 | H16 | 63.7° | 59.2° |
| H3 | C13 | C14 | H13 | 0.5° | 0.0° |
| H4 | C20 | C19 | H7 | 0.4° | 0.1° |
| H4 | C20 | C21 | H21 | 0.6° | 0.0° |
| H5 | C8 | C10 | H14 | 0.1° | 0.6° |
| H6 | C16 | C17 | H20 | 0.3° | 0.3° |
| H8 | C3 | C9 | H17 | 27.8° | 57.6° |
| H9 | C3 | C9 | H17 | 145.0° | 177.8° |
| H10 | C1 | C9 | H17 | 153.6° | 59.2° |
| H10 | C1 | N2 | H18 | 55.9° | 54.2° |
| H11 | C1 | C9 | H17 | 35.2° | 179.2° |
| H11 | C1 | N2 | H18 | 62.6° | 65.8° |
| H12 | C11 | C10 | H14 | 0.5° | 0.3° |
| H15 | C4 | N2 | H18 | 66.1° | 65.8° |
| H16 | C4 | N2 | H18 | 54.3° | 54.1° |
