MV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C11 | doub | 1.21Å | 1.25Å | |
| C11 | O3 | sing | 1.34Å | 1.25Å | |
| C11 | C8 | sing | 1.51Å | 1.53Å | |
| C5 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | N2 | sing | 1.47Å | 1.48Å | |
| C8 | N2 | sing | 1.47Å | 1.49Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| N2 | C6 | sing | 1.47Å | 1.48Å | |
| O2 | C9 | doub | 1.22Å | 1.23Å | |
| O1 | C9 | sing | 1.34Å | 1.33Å | |
| O1 | C4 | sing | 1.46Å | 1.42Å | |
| C9 | N3 | sing | 1.34Å | 1.39Å | |
| C4 | C1 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.54Å | 1.53Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C6 | C2 | sing | 1.53Å | 1.54Å | |
| N3 | C7 | sing | 1.47Å | 1.45Å | |
| N3 | C10 | sing | 1.40Å | 1.43Å | |
| C12 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| N5 | C17 | doub | 1.30Å | 1.34Å | |
| C13 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.47Å | |
| C17 | N4 | sing | 1.38Å | 1.34Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C11 | O3 | 125.3° | 120.0° |
| O4 | C11 | C8 | 116.3° | 120.0° |
| O3 | C11 | C8 | 118.3° | 120.0° |
| C11 | O3 | H25 | 109.5° | 117.0° |
| C11 | C8 | N2 | 113.3° | 109.5° |
| C11 | C8 | H21 | 108.5° | 109.5° |
| C11 | C8 | H22 | 108.5° | 109.5° |
| C3 | C5 | N2 | 110.3° | 109.4° |
| C5 | C3 | N1 | 110.9° | 109.4° |
| C3 | C5 | H7 | 109.3° | 109.5° |
| C3 | C5 | H8 | 109.3° | 109.5° |
| C5 | C3 | H17 | 109.1° | 109.5° |
| C5 | C3 | H18 | 109.1° | 109.5° |
| C5 | N2 | C8 | 114.7° | 111.0° |
| C5 | N2 | C6 | 109.4° | 110.9° |
| N2 | C5 | H7 | 109.3° | 109.5° |
| N2 | C5 | H8 | 109.3° | 109.5° |
| C8 | N2 | C6 | 111.8° | 111.0° |
| N2 | C8 | H21 | 108.5° | 109.5° |
| N2 | C8 | H22 | 108.5° | 109.5° |
| C3 | N1 | C1 | 112.5° | 111.0° |
| C3 | N1 | C2 | 107.9° | 110.9° |
| N1 | C3 | H17 | 109.1° | 109.5° |
| N1 | C3 | H18 | 109.1° | 109.5° |
| N2 | C6 | C2 | 110.3° | 109.4° |
| N2 | C6 | H9 | 109.2° | 109.5° |
| N2 | C6 | H10 | 109.2° | 109.5° |
| O2 | C9 | O1 | 123.1° | 123.1° |
| O2 | C9 | N3 | 130.3° | 123.1° |
| C9 | O1 | C4 | 115.7° | 109.5° |
| O1 | C9 | N3 | 106.6° | 113.9° |
| O1 | C4 | C1 | 109.4° | 110.1° |
| O1 | C4 | C7 | 101.8° | 104.0° |
| O1 | C4 | H4 | 111.8° | 111.0° |
| C9 | N3 | C7 | 110.8° | 108.8° |
| C9 | N3 | C10 | 126.4° | 125.6° |
| C1 | C4 | C7 | 113.6° | 110.5° |
| C4 | C1 | N1 | 113.5° | 109.5° |
| C1 | C4 | H4 | 109.9° | 110.5° |
| C4 | C1 | H11 | 108.5° | 109.5° |
| C4 | C1 | H12 | 108.5° | 109.5° |
| C4 | C7 | N3 | 103.6° | 103.8° |
| C7 | C4 | H4 | 110.0° | 110.5° |
| C4 | C7 | H19 | 110.9° | 110.6° |
| C4 | C7 | H20 | 110.9° | 110.6° |
| C1 | N1 | C2 | 107.8° | 111.0° |
| N1 | C1 | H11 | 108.4° | 109.5° |
| N1 | C1 | H12 | 108.4° | 109.4° |
| N1 | C2 | C6 | 109.7° | 109.4° |
| N1 | C2 | H2 | 109.4° | 109.5° |
| N1 | C2 | H3 | 109.4° | 109.5° |
| C6 | C2 | H2 | 109.4° | 109.5° |
| C6 | C2 | H3 | 109.4° | 109.5° |
| C2 | C6 | H9 | 109.3° | 109.5° |
| C2 | C6 | H10 | 109.3° | 109.5° |
| C7 | N3 | C10 | 122.9° | 125.6° |
| N3 | C7 | H19 | 110.9° | 110.6° |
| N3 | C7 | H20 | 110.9° | 110.5° |
| N3 | C10 | C12 | 121.4° | 119.9° |
| N3 | C10 | C13 | 120.5° | 120.0° |
| C10 | C12 | C14 | 121.2° | 120.0° |
| C12 | C10 | C13 | 118.2° | 120.1° |
| C10 | C12 | H13 | 119.4° | 120.0° |
| C12 | C14 | C16 | 120.3° | 119.9° |
| C14 | C12 | H13 | 119.4° | 120.0° |
| C12 | C14 | H15 | 119.9° | 120.0° |
| C10 | C13 | C15 | 120.9° | 120.1° |
| C10 | C13 | H14 | 119.6° | 119.9° |
| C14 | C16 | C15 | 119.3° | 119.9° |
| C14 | C16 | C17 | 119.5° | 120.0° |
| C16 | C14 | H15 | 119.8° | 120.1° |
| N5 | C17 | C16 | 121.2° | 120.0° |
| N5 | C17 | N4 | 117.7° | 120.0° |
| C17 | N5 | H24 | 112.0° | 120.0° |
| C13 | C15 | C16 | 120.2° | 119.9° |
| C15 | C13 | H14 | 119.6° | 120.0° |
| C13 | C15 | H16 | 119.9° | 120.0° |
| C15 | C16 | C17 | 121.2° | 120.1° |
| C16 | C15 | H16 | 119.9° | 120.0° |
| C16 | C17 | N4 | 121.2° | 120.0° |
| C17 | N4 | H5 | 120.0° | 120.0° |
| C17 | N4 | H6 | 120.0° | 120.0° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H5 | N4 | H6 | 120.0° | 120.0° |
| H7 | C5 | H8 | 109.4° | 109.6° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.4° | 109.5° |
| H19 | C7 | H20 | 109.4° | 110.6° |
| H21 | C8 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C11 | O3 | C8 | 179.6° | 180.0° |
| O4 | C11 | C8 | N2 | 149.6° | 0.0° |
| O4 | C11 | C8 | H21 | 89.8° | 120.0° |
| O4 | C11 | C8 | H22 | 29.1° | 120.1° |
| O4 | C11 | O3 | H25 | 0.0° | 0.0° |
| O3 | C11 | C8 | N2 | 30.8° | 180.0° |
| O3 | C11 | C8 | H21 | 89.8° | 60.0° |
| O3 | C11 | C8 | H22 | 151.3° | 60.0° |
| C11 | C8 | N2 | C5 | 54.9° | 170.0° |
| C11 | C8 | N2 | H21 | 120.6° | 120.0° |
| C11 | C8 | N2 | H22 | 120.6° | 120.0° |
| C11 | C8 | N2 | C6 | 179.9° | 66.2° |
| C11 | C8 | H21 | H22 | 118.2° | 120.0° |
| C8 | C11 | O3 | H25 | 179.6° | 180.0° |
| C3 | C5 | N2 | H7 | 120.1° | 120.0° |
| C3 | C5 | N2 | H8 | 120.1° | 119.9° |
| C3 | C5 | N2 | C8 | 177.8° | 176.8° |
| C5 | C3 | N1 | H17 | 120.2° | 119.9° |
| C5 | C3 | N1 | H18 | 120.2° | 120.0° |
| C3 | C5 | N2 | C6 | 55.6° | 59.3° |
| C5 | C3 | N1 | C1 | 179.5° | 176.8° |
| C5 | C3 | N1 | C2 | 60.8° | 59.3° |
| C3 | C5 | H7 | H8 | 119.6° | 120.1° |
| C5 | C3 | H17 | H18 | 119.3° | 120.1° |
| C5 | N2 | C8 | C6 | 125.3° | 123.8° |
| N2 | C5 | C3 | N1 | 58.5° | 58.4° |
| C5 | N2 | C6 | C2 | 57.3° | 59.3° |
| N2 | C5 | H7 | H8 | 119.7° | 120.1° |
| C5 | N2 | C6 | H9 | 177.5° | 60.7° |
| C5 | N2 | C6 | H10 | 62.8° | 179.3° |
| N2 | C5 | C3 | H17 | 178.7° | 61.6° |
| N2 | C5 | C3 | H18 | 61.8° | 178.4° |
| C5 | N2 | C8 | H21 | 175.4° | 70.0° |
| C5 | N2 | C8 | H22 | 65.7° | 50.0° |
| C8 | N2 | C6 | C2 | 174.5° | 176.8° |
| C8 | N2 | C5 | H7 | 57.7° | 56.8° |
| C8 | N2 | C5 | H8 | 62.0° | 63.3° |
| C8 | N2 | C6 | H9 | 54.4° | 63.2° |
| C8 | N2 | C6 | H10 | 65.3° | 56.8° |
| N2 | C8 | H21 | H22 | 118.2° | 120.0° |
| C3 | N1 | C1 | C4 | 65.3° | 66.2° |
| C3 | N1 | C1 | C2 | 118.9° | 123.8° |
| C3 | N1 | C2 | C6 | 61.8° | 59.3° |
| C3 | N1 | C2 | H2 | 178.2° | 179.3° |
| C3 | N1 | C2 | H3 | 58.3° | 60.7° |
| N1 | C3 | C5 | H7 | 178.6° | 178.3° |
| N1 | C3 | C5 | H8 | 61.7° | 61.5° |
| C3 | N1 | C1 | H11 | 174.1° | 53.8° |
| C3 | N1 | C1 | H12 | 55.3° | 173.8° |
| N1 | C3 | H17 | H18 | 119.3° | 120.1° |
| N2 | C6 | C2 | N1 | 61.3° | 58.4° |
| N2 | C6 | C2 | H9 | 120.1° | 119.9° |
| N2 | C6 | C2 | H10 | 120.1° | 120.0° |
| N2 | C6 | C2 | H2 | 178.6° | 178.4° |
| N2 | C6 | C2 | H3 | 58.8° | 61.6° |
| C6 | N2 | C5 | H7 | 175.7° | 179.3° |
| C6 | N2 | C5 | H8 | 64.5° | 60.6° |
| N2 | C6 | H9 | H10 | 119.6° | 120.0° |
| C6 | N2 | C8 | H21 | 59.3° | 53.8° |
| C6 | N2 | C8 | H22 | 59.6° | 173.8° |
| O2 | C9 | O1 | N3 | 179.9° | 180.0° |
| O2 | C9 | O1 | C4 | 176.3° | 179.7° |
| O2 | C9 | N3 | C7 | 175.0° | 180.0° |
| O2 | C9 | N3 | C10 | 5.8° | 0.2° |
| C9 | O1 | C4 | C1 | 130.6° | 118.9° |
| C9 | O1 | C4 | C7 | 10.1° | 0.4° |
| O1 | C9 | N3 | C7 | 4.9° | 0.0° |
| O1 | C9 | N3 | C10 | 174.4° | 179.8° |
| C9 | O1 | C4 | H4 | 107.4° | 118.4° |
| C4 | O1 | C9 | N3 | 3.8° | 0.3° |
| O1 | C4 | C1 | C7 | 113.0° | 114.4° |
| O1 | C4 | C1 | H4 | 123.2° | 123.0° |
| O1 | C4 | C7 | H4 | 118.7° | 119.2° |
| O1 | C4 | C1 | N1 | 95.0° | 70.6° |
| O1 | C4 | C7 | N3 | 11.7° | 0.4° |
| O1 | C4 | C1 | H11 | 144.4° | 49.4° |
| O1 | C4 | C1 | H12 | 25.5° | 169.4° |
| O1 | C4 | C7 | H19 | 107.3° | 119.0° |
| O1 | C4 | C7 | H20 | 130.8° | 118.1° |
| C9 | N3 | C7 | C4 | 10.6° | 0.2° |
| C9 | N3 | C7 | C10 | 179.3° | 179.8° |
| C9 | N3 | C10 | C12 | 13.3° | 174.2° |
| C9 | N3 | C10 | C13 | 166.5° | 6.0° |
| C9 | N3 | C7 | H19 | 108.5° | 118.8° |
| C9 | N3 | C7 | H20 | 129.7° | 118.3° |
| C1 | C4 | C7 | H4 | 123.7° | 122.6° |
| C4 | C1 | N1 | H11 | 120.6° | 120.0° |
| C4 | C1 | N1 | H12 | 120.6° | 120.0° |
| C4 | C1 | N1 | C2 | 175.8° | 170.0° |
| C1 | C4 | C7 | N3 | 129.3° | 118.6° |
| C4 | C1 | H11 | H12 | 118.2° | 120.0° |
| C1 | C4 | C7 | H19 | 10.2° | 122.8° |
| C1 | C4 | C7 | H20 | 111.7° | 0.1° |
| C7 | C4 | C1 | N1 | 151.9° | 175.0° |
| C4 | C7 | N3 | H19 | 119.1° | 118.6° |
| C4 | C7 | N3 | H20 | 119.1° | 118.6° |
| C4 | C7 | N3 | C10 | 168.6° | 180.0° |
| C7 | C4 | C1 | H11 | 31.3° | 65.0° |
| C7 | C4 | C1 | H12 | 87.5° | 55.0° |
| C4 | C7 | H19 | H20 | 122.7° | 122.9° |
| C1 | N1 | C2 | C6 | 176.5° | 176.8° |
| C1 | N1 | C2 | H2 | 56.4° | 56.8° |
| C1 | N1 | C2 | H3 | 63.5° | 63.2° |
| N1 | C1 | C4 | H4 | 28.1° | 52.4° |
| N1 | C1 | H11 | H12 | 118.1° | 120.0° |
| C1 | N1 | C3 | H17 | 60.2° | 63.2° |
| C1 | N1 | C3 | H18 | 59.3° | 56.8° |
| N1 | C2 | C6 | H2 | 120.1° | 120.0° |
| N1 | C2 | C6 | H3 | 120.1° | 120.0° |
| N1 | C2 | H2 | H3 | 119.9° | 120.1° |
| N1 | C2 | C6 | H9 | 178.6° | 61.6° |
| N1 | C2 | C6 | H10 | 58.8° | 178.4° |
| C2 | N1 | C1 | H11 | 55.2° | 70.0° |
| C2 | N1 | C1 | H12 | 63.6° | 50.0° |
| C2 | N1 | C3 | H17 | 179.0° | 60.6° |
| C2 | N1 | C3 | H18 | 59.5° | 179.3° |
| C6 | C2 | H2 | H3 | 119.9° | 120.0° |
| C2 | C6 | H9 | H10 | 119.6° | 120.1° |
| C7 | N3 | C10 | C12 | 167.5° | 5.5° |
| C7 | N3 | C10 | C13 | 12.6° | 174.2° |
| N3 | C7 | C4 | H4 | 107.0° | 118.8° |
| N3 | C7 | H19 | H20 | 122.7° | 122.8° |
| N3 | C10 | C12 | C13 | 179.8° | 179.7° |
| N3 | C10 | C12 | C14 | 179.9° | 180.0° |
| N3 | C10 | C13 | C15 | 179.7° | 180.0° |
| N3 | C10 | C12 | H13 | 0.1° | 0.0° |
| N3 | C10 | C13 | H14 | 0.3° | 0.0° |
| C10 | N3 | C7 | H19 | 72.3° | 61.4° |
| C10 | N3 | C7 | H20 | 49.6° | 61.5° |
| C10 | C12 | C14 | H13 | 180.0° | 180.0° |
| C10 | C12 | C14 | C16 | 0.2° | 0.0° |
| C12 | C10 | C13 | C15 | 0.1° | 0.3° |
| C12 | C10 | C13 | H14 | 179.9° | 179.7° |
| C10 | C12 | C14 | H15 | 179.8° | 179.9° |
| C14 | C12 | C10 | C13 | 0.1° | 0.3° |
| C12 | C14 | C16 | H15 | 180.0° | 180.0° |
| C12 | C14 | C16 | C15 | 0.2° | 0.2° |
| C12 | C14 | C16 | C17 | 179.7° | 180.0° |
| C10 | C13 | C15 | H14 | 180.0° | 180.0° |
| C10 | C13 | C15 | C16 | 0.1° | 0.0° |
| C13 | C10 | C12 | H13 | 179.9° | 179.8° |
| C10 | C13 | C15 | H16 | 179.9° | 180.0° |
| C14 | C16 | C17 | N5 | 105.3° | 0.0° |
| C14 | C16 | C15 | C13 | 0.0° | 0.2° |
| C14 | C16 | C15 | C17 | 179.9° | 179.8° |
| C14 | C16 | C17 | N4 | 74.7° | 180.0° |
| C16 | C14 | C12 | H13 | 179.8° | 180.0° |
| C14 | C16 | C15 | H16 | 180.0° | 179.7° |
| N5 | C17 | C16 | C15 | 74.6° | 179.8° |
| N5 | C17 | C16 | N4 | 180.0° | 180.0° |
| N5 | C17 | N4 | H5 | 180.0° | 180.0° |
| N5 | C17 | N4 | H6 | 0.0° | 0.0° |
| C13 | C15 | C16 | H16 | 180.0° | 180.0° |
| C13 | C15 | C16 | C17 | 179.9° | 180.0° |
| C15 | C16 | C17 | N4 | 105.4° | 0.2° |
| C16 | C15 | C13 | H14 | 179.8° | 179.9° |
| C15 | C16 | C14 | H15 | 179.9° | 179.8° |
| C16 | C17 | N4 | H5 | 0.0° | 0.0° |
| C16 | C17 | N4 | H6 | 180.0° | 180.0° |
| C17 | C16 | C14 | H15 | 0.2° | 0.0° |
| C17 | C16 | C15 | H16 | 0.1° | 0.1° |
| C16 | C17 | N5 | H24 | 180.0° | 179.9° |
| C17 | N4 | H5 | H6 | 180.0° | 179.9° |
| N4 | C17 | N5 | H24 | 0.0° | 0.0° |
| H2 | C2 | C6 | H9 | 58.5° | 58.5° |
| H2 | C2 | C6 | H10 | 61.2° | 61.6° |
| H3 | C2 | C6 | H9 | 61.4° | 178.5° |
| H3 | C2 | C6 | H10 | 178.9° | 58.4° |
| H4 | C4 | C1 | H11 | 92.5° | 172.4° |
| H4 | C4 | C1 | H12 | 148.7° | 67.6° |
| H4 | C4 | C7 | H19 | 133.9° | 0.2° |
| H4 | C4 | C7 | H20 | 12.1° | 122.7° |
| H7 | C5 | C3 | H17 | 61.2° | 58.4° |
| H7 | C5 | C3 | H18 | 58.4° | 61.7° |
| H8 | C5 | C3 | H17 | 58.5° | 178.5° |
| H8 | C5 | C3 | H18 | 178.1° | 58.4° |
| H13 | C12 | C14 | H15 | 0.2° | 0.0° |
| H14 | C13 | C15 | H16 | 0.2° | 0.0° |
