M8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C9 | C3 | sing | 1.52Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | sing | 1.52Å | 1.54Å | |
| C3 | N4 | sing | 1.47Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | N10 | sing | 1.35Å | 1.37Å | |
| N4 | C25 | sing | 1.35Å | 1.34Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| N10 | C25 | sing | 1.34Å | 1.37Å | |
| C11 | C12 | sing | 1.51Å | 1.58Å | |
| C25 | O26 | doub | 1.22Å | 1.22Å | |
| O24 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.40Å | 1.44Å | |
| C14 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | S18 | sing | 1.76Å | 1.78Å | |
| N20 | S18 | sing | 1.66Å | 1.62Å | |
| O21 | S18 | doub | 1.42Å | 1.44Å | |
| S18 | O19 | doub | 1.42Å | 1.45Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| N20 | H18 | sing | 0.97Å | 1.00Å | |
| N20 | H19 | sing | 0.97Å | 1.00Å | |
| N13 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 107.8° | 109.4° |
| C8 | C9 | C3 | 108.3° | 109.6° |
| C9 | C8 | H9 | 109.9° | 109.5° |
| C9 | C8 | H10 | 109.9° | 109.5° |
| C8 | C9 | H13 | 109.8° | 109.5° |
| C8 | C9 | H14 | 109.8° | 109.5° |
| C8 | C7 | C6 | 112.7° | 109.5° |
| C8 | C7 | H5 | 108.7° | 109.4° |
| C8 | C7 | H6 | 108.6° | 109.5° |
| C7 | C8 | H9 | 109.9° | 109.5° |
| C7 | C8 | H10 | 109.9° | 109.5° |
| C9 | C3 | C2 | 109.9° | 110.4° |
| C9 | C3 | C5 | 112.6° | 110.8° |
| C9 | C3 | N4 | 112.6° | 110.6° |
| C3 | C9 | H13 | 109.8° | 109.4° |
| C3 | C9 | H14 | 109.7° | 109.4° |
| C7 | C6 | C5 | 111.1° | 109.4° |
| C6 | C7 | H5 | 108.6° | 109.5° |
| C6 | C7 | H6 | 108.7° | 109.5° |
| C7 | C6 | H7 | 109.1° | 109.5° |
| C7 | C6 | H8 | 109.1° | 109.5° |
| O1 | C2 | C3 | 122.0° | 127.2° |
| O1 | C2 | N10 | 127.4° | 127.3° |
| C2 | C3 | C5 | 109.5° | 110.4° |
| C2 | C3 | N4 | 96.3° | 104.0° |
| C3 | C2 | N10 | 110.5° | 105.5° |
| C5 | C3 | N4 | 114.6° | 110.5° |
| C3 | C5 | C6 | 108.2° | 109.6° |
| C3 | C5 | H11 | 109.8° | 109.5° |
| C3 | C5 | H12 | 109.8° | 109.4° |
| C3 | N4 | C25 | 117.2° | 106.5° |
| C3 | N4 | H17 | 121.4° | 126.8° |
| C5 | C6 | H7 | 109.1° | 109.5° |
| C5 | C6 | H8 | 109.1° | 109.5° |
| C6 | C5 | H11 | 109.8° | 109.5° |
| C6 | C5 | H12 | 109.8° | 109.5° |
| C2 | N10 | C11 | 122.7° | 124.2° |
| C2 | N10 | C25 | 110.9° | 111.6° |
| N4 | C25 | N10 | 104.9° | 112.4° |
| N4 | C25 | O26 | 129.1° | 123.9° |
| C25 | N4 | H17 | 121.4° | 126.7° |
| C11 | N10 | C25 | 126.4° | 124.2° |
| N10 | C11 | C12 | 110.6° | 109.5° |
| N10 | C11 | H15 | 109.2° | 109.4° |
| N10 | C11 | H16 | 109.2° | 109.5° |
| N10 | C25 | O26 | 125.9° | 123.7° |
| C11 | C12 | O24 | 125.1° | 120.0° |
| C11 | C12 | N13 | 104.5° | 120.0° |
| C12 | C11 | H15 | 109.2° | 109.5° |
| C12 | C11 | H16 | 109.2° | 109.5° |
| O24 | C12 | N13 | 130.1° | 120.0° |
| C12 | N13 | C14 | 120.3° | 120.0° |
| C12 | N13 | H20 | 119.9° | 120.0° |
| N13 | C14 | C23 | 127.5° | 120.1° |
| N13 | C14 | C15 | 110.3° | 120.0° |
| C14 | N13 | H20 | 119.8° | 120.0° |
| C23 | C14 | C15 | 122.1° | 119.8° |
| C14 | C23 | C22 | 120.0° | 120.0° |
| C14 | C23 | H2 | 120.0° | 120.0° |
| C14 | C15 | C16 | 117.7° | 119.9° |
| C14 | C15 | H1 | 121.1° | 120.0° |
| C23 | C22 | C17 | 117.4° | 120.0° |
| C22 | C23 | H2 | 120.0° | 120.0° |
| C23 | C22 | H4 | 121.3° | 120.0° |
| C15 | C16 | C17 | 122.8° | 120.0° |
| C16 | C15 | H1 | 121.2° | 120.1° |
| C15 | C16 | H3 | 118.6° | 119.9° |
| C22 | C17 | C16 | 119.9° | 120.2° |
| C22 | C17 | S18 | 119.4° | 119.9° |
| C17 | C22 | H4 | 121.3° | 120.0° |
| C16 | C17 | S18 | 120.7° | 119.9° |
| C17 | C16 | H3 | 118.6° | 120.0° |
| C17 | S18 | N20 | 108.1° | 107.2° |
| C17 | S18 | O21 | 107.0° | 106.4° |
| C17 | S18 | O19 | 104.9° | 106.4° |
| N20 | S18 | O21 | 110.2° | 106.4° |
| N20 | S18 | O19 | 109.1° | 106.4° |
| S18 | N20 | H18 | 109.5° | 120.0° |
| S18 | N20 | H19 | 109.5° | 120.0° |
| O21 | S18 | O19 | 117.1° | 123.2° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.4° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H18 | N20 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H9 | 119.7° | 120.0° |
| C9 | C8 | C7 | H10 | 119.7° | 120.0° |
| C8 | C9 | C3 | H13 | 119.8° | 120.1° |
| C8 | C9 | C3 | H14 | 119.8° | 120.0° |
| C9 | C8 | C7 | C6 | 59.1° | 60.5° |
| C8 | C9 | C3 | C2 | 175.8° | 178.8° |
| C8 | C9 | C3 | C5 | 61.9° | 58.6° |
| C8 | C9 | C3 | N4 | 69.7° | 64.3° |
| C9 | C8 | C7 | H5 | 179.6° | 59.6° |
| C9 | C8 | C7 | H6 | 61.4° | 179.5° |
| C9 | C8 | H9 | H10 | 120.8° | 120.0° |
| C8 | C9 | H13 | H14 | 120.5° | 120.0° |
| C7 | C8 | C9 | C3 | 59.1° | 59.1° |
| C8 | C7 | C6 | H5 | 120.5° | 120.0° |
| C8 | C7 | C6 | H6 | 120.5° | 120.0° |
| C8 | C7 | C6 | C5 | 57.3° | 60.5° |
| C8 | C7 | H5 | H6 | 118.5° | 119.9° |
| C8 | C7 | C6 | H7 | 62.9° | 59.5° |
| C8 | C7 | C6 | H8 | 177.6° | 179.5° |
| C7 | C8 | H9 | H10 | 120.8° | 120.0° |
| C7 | C8 | C9 | H13 | 60.7° | 60.9° |
| C7 | C8 | C9 | H14 | 178.9° | 179.2° |
| C9 | C3 | C2 | O1 | 60.9° | 61.7° |
| C9 | C3 | C2 | C5 | 124.2° | 122.8° |
| C9 | C3 | C2 | N4 | 116.9° | 118.6° |
| C9 | C3 | C5 | N4 | 130.5° | 122.9° |
| C9 | C3 | C5 | C6 | 58.2° | 58.5° |
| C9 | C3 | C2 | N10 | 121.2° | 118.7° |
| C9 | C3 | N4 | C25 | 118.6° | 118.5° |
| C3 | C9 | C8 | H9 | 60.6° | 179.1° |
| C3 | C9 | C8 | H10 | 178.9° | 60.8° |
| C9 | C3 | C5 | H11 | 61.6° | 178.6° |
| C9 | C3 | C5 | H12 | 178.0° | 61.5° |
| C3 | C9 | H13 | H14 | 120.5° | 119.9° |
| C9 | C3 | N4 | H17 | 61.4° | 61.5° |
| C7 | C6 | C5 | C3 | 54.4° | 59.1° |
| C7 | C6 | C5 | H7 | 120.2° | 120.0° |
| C7 | C6 | C5 | H8 | 120.2° | 120.0° |
| C6 | C7 | H5 | H6 | 118.5° | 120.0° |
| C7 | C6 | H7 | H8 | 119.3° | 120.0° |
| C6 | C7 | C8 | H9 | 60.6° | 179.5° |
| C6 | C7 | C8 | H10 | 178.9° | 59.5° |
| C7 | C6 | C5 | H11 | 65.3° | 179.2° |
| C7 | C6 | C5 | H12 | 174.3° | 60.9° |
| O1 | C2 | C3 | N10 | 178.0° | 179.7° |
| O1 | C2 | C3 | C5 | 63.4° | 61.1° |
| O1 | C2 | C3 | N4 | 177.7° | 179.7° |
| O1 | C2 | N10 | C11 | 3.8° | 0.3° |
| O1 | C2 | N10 | C25 | 178.4° | 179.7° |
| C2 | C3 | C5 | N4 | 106.9° | 114.5° |
| C2 | C3 | C5 | C6 | 179.2° | 178.9° |
| C2 | C3 | N4 | C25 | 3.9° | 0.0° |
| C3 | C2 | N10 | C11 | 174.0° | 180.0° |
| C3 | C2 | N10 | C25 | 3.7° | 0.1° |
| C2 | C3 | C5 | H11 | 61.0° | 58.8° |
| C2 | C3 | C5 | H12 | 59.4° | 61.1° |
| C2 | C3 | C9 | H13 | 64.4° | 61.1° |
| C2 | C3 | C9 | H14 | 55.9° | 58.8° |
| C2 | C3 | N4 | H17 | 176.1° | 180.0° |
| C3 | C5 | C6 | H11 | 119.8° | 120.1° |
| C3 | C5 | C6 | H12 | 119.8° | 120.0° |
| C5 | C3 | C2 | N10 | 114.6° | 118.5° |
| C5 | C3 | N4 | C25 | 110.9° | 118.5° |
| C3 | C5 | C6 | H7 | 65.8° | 60.9° |
| C3 | C5 | C6 | H8 | 174.7° | 179.1° |
| C3 | C5 | H11 | H12 | 120.6° | 119.9° |
| C5 | C3 | C9 | H13 | 57.9° | 61.5° |
| C5 | C3 | C9 | H14 | 178.3° | 178.6° |
| C5 | C3 | N4 | H17 | 69.1° | 61.5° |
| N4 | C3 | C5 | C6 | 72.3° | 64.3° |
| N4 | C3 | C2 | N10 | 4.3° | 0.0° |
| C3 | N4 | C25 | H17 | 180.0° | 180.0° |
| C3 | N4 | C25 | N10 | 2.1° | 0.1° |
| C3 | N4 | C25 | O26 | 176.6° | 180.0° |
| N4 | C3 | C5 | H11 | 167.9° | 55.7° |
| N4 | C3 | C5 | H12 | 47.5° | 175.6° |
| N4 | C3 | C9 | H13 | 170.5° | 175.7° |
| N4 | C3 | C9 | H14 | 50.2° | 55.8° |
| C5 | C6 | C7 | H5 | 177.8° | 59.5° |
| C5 | C6 | C7 | H6 | 63.2° | 179.5° |
| C5 | C6 | H7 | H8 | 119.3° | 120.0° |
| C6 | C5 | H11 | H12 | 120.6° | 119.9° |
| C2 | N10 | C25 | N4 | 1.1° | 0.1° |
| C2 | N10 | C11 | C25 | 177.4° | 180.0° |
| C2 | N10 | C11 | C12 | 75.3° | 90.0° |
| C2 | N10 | C25 | O26 | 179.8° | 179.9° |
| C2 | N10 | C11 | H15 | 44.9° | 30.0° |
| C2 | N10 | C11 | H16 | 164.5° | 150.1° |
| N4 | C25 | N10 | C11 | 176.5° | 180.0° |
| N4 | C25 | N10 | O26 | 178.7° | 180.0° |
| N10 | C11 | C12 | H15 | 120.2° | 120.0° |
| N10 | C11 | C12 | H16 | 120.2° | 120.0° |
| C11 | N10 | C25 | O26 | 2.2° | 0.0° |
| N10 | C11 | C12 | O24 | 11.0° | 0.0° |
| N10 | C11 | C12 | N13 | 174.9° | 180.0° |
| N10 | C11 | H15 | H16 | 119.5° | 120.0° |
| C25 | N10 | C11 | C12 | 102.1° | 90.0° |
| C25 | N10 | C11 | H15 | 137.7° | 150.0° |
| C25 | N10 | C11 | H16 | 18.1° | 30.0° |
| N10 | C25 | N4 | H17 | 177.9° | 179.9° |
| C11 | C12 | O24 | N13 | 172.5° | 179.9° |
| C11 | C12 | N13 | C14 | 177.6° | 174.7° |
| C12 | C11 | H15 | H16 | 119.5° | 120.0° |
| C11 | C12 | N13 | H20 | 2.4° | 5.2° |
| O26 | C25 | N4 | H17 | 3.4° | 0.0° |
| O24 | C12 | N13 | C14 | 3.9° | 5.3° |
| O24 | C12 | C11 | H15 | 109.2° | 119.9° |
| O24 | C12 | C11 | H16 | 131.2° | 120.0° |
| O24 | C12 | N13 | H20 | 176.1° | 174.7° |
| C12 | N13 | C14 | H20 | 180.0° | 179.9° |
| C12 | N13 | C14 | C23 | 0.2° | 33.2° |
| C12 | N13 | C14 | C15 | 177.2° | 146.8° |
| N13 | C12 | C11 | H15 | 64.9° | 60.0° |
| N13 | C12 | C11 | H16 | 54.7° | 60.0° |
| N13 | C14 | C23 | C15 | 177.1° | 180.0° |
| N13 | C14 | C23 | C22 | 178.8° | 179.5° |
| N13 | C14 | C15 | C16 | 179.2° | 179.9° |
| N13 | C14 | C15 | H1 | 0.8° | 0.3° |
| N13 | C14 | C23 | H2 | 1.2° | 0.3° |
| C14 | C23 | C22 | H2 | 180.0° | 179.3° |
| C23 | C14 | C15 | C16 | 3.3° | 0.1° |
| C14 | C23 | C22 | C17 | 0.7° | 0.7° |
| C23 | C14 | C15 | H1 | 176.8° | 179.7° |
| C14 | C23 | C22 | H4 | 179.3° | 179.3° |
| C23 | C14 | N13 | H20 | 179.8° | 146.7° |
| C15 | C14 | C23 | C22 | 1.7° | 0.5° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 4.2° | 0.3° |
| C15 | C14 | C23 | H2 | 178.3° | 179.7° |
| C14 | C15 | C16 | H3 | 175.8° | 179.8° |
| C15 | C14 | N13 | H20 | 2.8° | 33.3° |
| C23 | C22 | C17 | H4 | 180.0° | 180.0° |
| C23 | C22 | C17 | C16 | 1.6° | 0.5° |
| C23 | C22 | C17 | S18 | 179.8° | 179.5° |
| C15 | C16 | C17 | C22 | 3.4° | 0.0° |
| C15 | C16 | C17 | H3 | 180.0° | 179.9° |
| C15 | C16 | C17 | S18 | 178.4° | 179.9° |
| C22 | C17 | C16 | S18 | 178.2° | 180.0° |
| C22 | C17 | S18 | N20 | 132.2° | 90.1° |
| C22 | C17 | S18 | O21 | 13.5° | 156.4° |
| C22 | C17 | S18 | O19 | 111.5° | 23.5° |
| C17 | C22 | C23 | H2 | 179.3° | 180.0° |
| C22 | C17 | C16 | H3 | 176.6° | 179.9° |
| C16 | C17 | S18 | N20 | 46.0° | 90.0° |
| C16 | C17 | S18 | O21 | 164.7° | 23.5° |
| C16 | C17 | S18 | O19 | 70.3° | 156.5° |
| C17 | C16 | C15 | H1 | 175.9° | 180.0° |
| C16 | C17 | C22 | H4 | 178.4° | 179.5° |
| C17 | S18 | N20 | O21 | 116.6° | 113.5° |
| C17 | S18 | N20 | O19 | 113.6° | 113.6° |
| C17 | S18 | O21 | O19 | 117.3° | 123.0° |
| S18 | C17 | C16 | H3 | 1.6° | 0.0° |
| S18 | C17 | C22 | H4 | 0.2° | 0.4° |
| C17 | S18 | N20 | H18 | 180.0° | 0.1° |
| C17 | S18 | N20 | H19 | 60.0° | 179.9° |
| N20 | S18 | O21 | O19 | 125.4° | 122.9° |
| S18 | N20 | H18 | H19 | 120.0° | 179.8° |
| O21 | S18 | N20 | H18 | 63.4° | 113.6° |
| O21 | S18 | N20 | H19 | 56.6° | 66.6° |
| O19 | S18 | N20 | H18 | 66.4° | 113.5° |
| O19 | S18 | N20 | H19 | 173.6° | 66.3° |
| H1 | C15 | C16 | H3 | 4.2° | 0.1° |
| H2 | C23 | C22 | H4 | 0.7° | 0.0° |
| H5 | C7 | C6 | H7 | 57.6° | 179.5° |
| H5 | C7 | C6 | H8 | 61.9° | 60.5° |
| H5 | C7 | C8 | H9 | 59.9° | 60.4° |
| H5 | C7 | C8 | H10 | 60.7° | 179.6° |
| H6 | C7 | C6 | H7 | 176.6° | 60.5° |
| H6 | C7 | C6 | H8 | 57.1° | 59.5° |
| H6 | C7 | C8 | H9 | 178.9° | 59.5° |
| H6 | C7 | C8 | H10 | 58.3° | 60.5° |
| H7 | C6 | C5 | H11 | 174.4° | 59.2° |
| H7 | C6 | C5 | H12 | 54.0° | 179.1° |
| H8 | C6 | C5 | H11 | 54.9° | 60.8° |
| H8 | C6 | C5 | H12 | 65.5° | 59.1° |
| H9 | C8 | C9 | H13 | 179.6° | 59.1° |
| H9 | C8 | C9 | H14 | 59.2° | 60.8° |
| H10 | C8 | C9 | H13 | 59.1° | 179.1° |
| H10 | C8 | C9 | H14 | 61.3° | 59.2° |
