NV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C19 | sing | 1.34Å | 1.38Å | |
| O14 | C12 | doub | 1.22Å | 1.20Å | |
| C11 | C6 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | sing | 1.50Å | 1.52Å | |
| C19 | C18 | doub | 1.37Å | 1.32Å | |
| C12 | C18 | sing | 1.47Å | 1.51Å | |
| C12 | C1 | sing | 1.48Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C18 | C23 | sing | 1.47Å | 1.54Å | |
| O13 | C10 | doub | 1.22Å | 1.19Å | |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| C26 | C15 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C10 | C5 | sing | 1.47Å | 1.40Å | |
| C10 | N9 | sing | 1.35Å | 1.33Å | |
| C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| C23 | O25 | doub | 1.21Å | 1.19Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | N9 | sing | 1.47Å | 1.46Å | |
| N9 | C8 | sing | 1.34Å | 1.35Å | |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N7 | sing | 1.38Å | 1.32Å | |
| C8 | N7 | sing | 1.34Å | 1.35Å | |
| C8 | O16 | doub | 1.21Å | 1.19Å | |
| N7 | C17 | sing | 1.47Å | 1.45Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| O24 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C19 | C20 | 117.2° | 118.7° |
| O24 | C19 | C18 | 121.6° | 118.8° |
| C19 | O24 | H22 | 109.5° | 117.0° |
| O14 | C12 | C18 | 118.0° | 120.0° |
| O14 | C12 | C1 | 120.9° | 120.0° |
| C11 | C6 | C1 | 114.7° | 120.4° |
| C11 | C6 | C5 | 124.5° | 120.4° |
| C6 | C11 | H16 | 109.5° | 109.5° |
| C6 | C11 | H17 | 109.5° | 109.5° |
| C6 | C11 | H18 | 109.5° | 109.4° |
| C20 | C19 | C18 | 121.3° | 122.5° |
| C19 | C20 | C21 | 110.1° | 111.1° |
| C19 | C20 | H6 | 109.3° | 109.2° |
| C19 | C20 | H7 | 109.3° | 109.1° |
| C19 | C18 | C12 | 119.7° | 120.0° |
| C19 | C18 | C23 | 119.2° | 120.1° |
| C18 | C12 | C1 | 121.1° | 120.0° |
| C12 | C18 | C23 | 121.0° | 119.9° |
| C12 | C1 | C6 | 122.0° | 119.9° |
| C12 | C1 | C2 | 118.0° | 120.0° |
| C20 | C21 | C22 | 108.9° | 109.3° |
| C21 | C20 | H6 | 109.3° | 109.1° |
| C21 | C20 | H7 | 109.3° | 109.1° |
| C20 | C21 | H8 | 109.6° | 109.5° |
| C20 | C21 | H9 | 109.6° | 109.5° |
| C18 | C23 | O25 | 122.0° | 121.2° |
| C18 | C23 | C22 | 118.5° | 117.6° |
| O13 | C10 | C5 | 124.5° | 120.9° |
| O13 | C10 | N9 | 114.8° | 120.9° |
| C1 | C6 | C5 | 120.8° | 119.2° |
| C6 | C1 | C2 | 120.0° | 120.1° |
| C6 | C5 | C10 | 125.7° | 121.7° |
| C6 | C5 | C4 | 117.5° | 120.1° |
| C27 | C26 | C15 | 108.5° | 109.4° |
| C27 | C26 | H12 | 109.7° | 109.5° |
| C27 | C26 | H13 | 109.7° | 109.5° |
| C26 | C27 | H19 | 109.5° | 109.5° |
| C26 | C27 | H20 | 109.5° | 109.5° |
| C26 | C27 | H21 | 109.5° | 109.4° |
| C1 | C2 | C3 | 119.8° | 120.6° |
| C1 | C2 | H14 | 120.1° | 119.7° |
| C26 | C15 | N9 | 111.2° | 109.5° |
| C26 | C15 | H1 | 109.0° | 109.5° |
| C26 | C15 | H2 | 109.0° | 109.5° |
| C15 | C26 | H12 | 109.7° | 109.5° |
| C15 | C26 | H13 | 109.7° | 109.4° |
| C21 | C22 | C23 | 106.9° | 107.5° |
| C22 | C21 | H8 | 109.6° | 109.5° |
| C22 | C21 | H9 | 109.6° | 109.5° |
| C21 | C22 | H10 | 110.1° | 109.9° |
| C21 | C22 | H11 | 110.1° | 109.9° |
| C5 | C10 | N9 | 120.7° | 118.2° |
| C10 | C5 | C4 | 116.8° | 118.2° |
| C10 | N9 | C15 | 120.8° | 119.4° |
| C10 | N9 | C8 | 120.4° | 121.3° |
| C5 | C4 | C3 | 121.3° | 119.8° |
| C5 | C4 | N7 | 121.5° | 118.7° |
| O25 | C23 | C22 | 119.5° | 121.2° |
| C23 | C22 | H10 | 110.1° | 109.9° |
| C23 | C22 | H11 | 110.1° | 109.9° |
| C2 | C3 | C4 | 120.6° | 120.1° |
| C3 | C2 | H14 | 120.1° | 119.7° |
| C2 | C3 | H15 | 119.7° | 119.9° |
| C15 | N9 | C8 | 118.8° | 119.4° |
| N9 | C15 | H1 | 109.1° | 109.5° |
| N9 | C15 | H2 | 109.0° | 109.5° |
| N9 | C8 | N7 | 119.7° | 122.8° |
| N9 | C8 | O16 | 121.1° | 118.6° |
| C3 | C4 | N7 | 117.2° | 121.4° |
| C4 | C3 | H15 | 119.7° | 120.0° |
| C4 | N7 | C8 | 120.9° | 120.7° |
| C4 | N7 | C17 | 120.7° | 119.6° |
| N7 | C8 | O16 | 119.2° | 118.6° |
| C8 | N7 | C17 | 118.4° | 119.6° |
| N7 | C17 | H3 | 109.5° | 109.4° |
| N7 | C17 | H4 | 109.5° | 109.4° |
| N7 | C17 | H5 | 109.5° | 109.5° |
| H1 | C15 | H2 | 109.4° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.2° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.8° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H16 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H19 | C27 | H20 | 109.4° | 109.5° |
| H19 | C27 | H21 | 109.5° | 109.4° |
| H20 | C27 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C19 | C20 | C18 | 178.8° | 180.0° |
| O24 | C19 | C18 | C12 | 13.9° | 0.5° |
| O24 | C19 | C20 | C21 | 145.7° | 158.0° |
| O24 | C19 | C18 | C23 | 170.1° | 179.4° |
| O24 | C19 | C20 | H6 | 25.6° | 37.6° |
| O24 | C19 | C20 | H7 | 94.2° | 81.7° |
| O14 | C12 | C18 | C19 | 12.7° | 66.1° |
| O14 | C12 | C18 | C1 | 176.6° | 179.9° |
| O14 | C12 | C18 | C23 | 171.4° | 113.9° |
| O14 | C12 | C1 | C6 | 86.2° | 5.2° |
| O14 | C12 | C1 | C2 | 92.8° | 174.9° |
| C11 | C6 | C1 | C12 | 1.2° | 0.0° |
| C11 | C6 | C1 | C5 | 179.9° | 179.9° |
| C11 | C6 | C1 | C2 | 179.9° | 180.0° |
| C11 | C6 | C5 | C10 | 0.6° | 0.1° |
| C11 | C6 | C5 | C4 | 180.0° | 180.0° |
| C6 | C11 | H16 | H17 | 120.0° | 120.0° |
| C6 | C11 | H16 | H18 | 120.0° | 120.0° |
| C6 | C11 | H17 | H18 | 120.0° | 119.9° |
| C20 | C19 | C18 | C12 | 164.8° | 179.5° |
| C19 | C20 | C21 | H6 | 120.1° | 120.4° |
| C19 | C20 | C21 | H7 | 120.1° | 120.3° |
| C20 | C19 | C18 | C23 | 11.1° | 0.6° |
| C19 | C20 | C21 | C22 | 61.7° | 53.4° |
| C19 | C20 | H6 | H7 | 119.7° | 119.2° |
| C19 | C20 | C21 | H8 | 58.2° | 173.4° |
| C19 | C20 | C21 | H9 | 178.4° | 66.5° |
| C20 | C19 | O24 | H22 | 171.1° | 178.8° |
| C19 | C18 | C12 | C23 | 175.9° | 179.9° |
| C19 | C18 | C12 | C1 | 163.9° | 113.9° |
| C18 | C19 | C20 | C21 | 35.5° | 22.0° |
| C19 | C18 | C23 | O25 | 164.8° | 168.2° |
| C19 | C18 | C23 | C22 | 13.2° | 11.9° |
| C18 | C19 | C20 | H6 | 155.6° | 142.5° |
| C18 | C19 | C20 | H7 | 84.6° | 98.3° |
| C18 | C19 | O24 | H22 | 7.7° | 1.2° |
| C18 | C12 | C1 | C6 | 97.3° | 174.9° |
| C18 | C12 | C1 | C2 | 83.7° | 5.1° |
| C12 | C18 | C23 | O25 | 19.3° | 11.7° |
| C12 | C18 | C23 | C22 | 162.8° | 168.2° |
| C1 | C12 | C18 | C23 | 12.0° | 66.2° |
| C12 | C1 | C6 | C2 | 179.0° | 179.9° |
| C12 | C1 | C6 | C5 | 178.7° | 179.9° |
| C12 | C1 | C2 | C3 | 178.6° | 180.0° |
| C12 | C1 | C2 | H14 | 1.4° | 0.1° |
| C20 | C21 | C22 | H8 | 119.9° | 119.9° |
| C20 | C21 | C22 | H9 | 119.9° | 120.0° |
| C20 | C21 | C22 | C23 | 62.3° | 63.3° |
| C21 | C20 | H6 | H7 | 119.7° | 119.2° |
| C20 | C21 | H8 | H9 | 120.3° | 120.1° |
| C20 | C21 | C22 | H10 | 178.2° | 56.3° |
| C20 | C21 | C22 | H11 | 57.4° | 177.2° |
| C18 | C23 | C22 | C21 | 38.4° | 42.7° |
| C18 | C23 | O25 | C22 | 178.0° | 179.9° |
| C18 | C23 | C22 | H10 | 158.0° | 76.8° |
| C18 | C23 | C22 | H11 | 81.2° | 162.3° |
| O13 | C10 | C5 | C6 | 0.1° | 0.4° |
| O13 | C10 | C5 | N9 | 179.5° | 179.7° |
| O13 | C10 | C5 | C4 | 179.4° | 179.7° |
| O13 | C10 | N9 | C15 | 1.2° | 0.3° |
| O13 | C10 | N9 | C8 | 179.0° | 179.7° |
| C1 | C6 | C5 | C10 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | H14 | 179.6° | 180.0° |
| C1 | C6 | C11 | H16 | 90.0° | 86.3° |
| C1 | C6 | C11 | H17 | 149.9° | 153.6° |
| C1 | C6 | C11 | H18 | 30.0° | 33.7° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C10 | C4 | 179.4° | 179.9° |
| C6 | C5 | C10 | N9 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | N7 | 179.8° | 180.0° |
| C5 | C6 | C11 | H16 | 90.1° | 93.7° |
| C5 | C6 | C11 | H17 | 29.9° | 26.3° |
| C5 | C6 | C11 | H18 | 149.9° | 146.3° |
| C27 | C26 | C15 | H12 | 119.9° | 120.0° |
| C27 | C26 | C15 | H13 | 119.9° | 120.0° |
| C27 | C26 | C15 | N9 | 162.5° | 180.0° |
| C27 | C26 | C15 | H1 | 77.2° | 60.0° |
| C27 | C26 | C15 | H2 | 42.3° | 59.9° |
| C27 | C26 | H12 | H13 | 120.4° | 120.0° |
| C26 | C27 | H19 | H20 | 120.0° | 120.1° |
| C26 | C27 | H19 | H21 | 120.0° | 119.9° |
| C26 | C27 | H20 | H21 | 120.0° | 119.9° |
| C1 | C2 | C3 | H14 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.1° |
| C1 | C2 | C3 | H15 | 179.5° | 180.0° |
| C26 | C15 | N9 | C10 | 81.2° | 90.0° |
| C26 | C15 | N9 | H1 | 120.3° | 120.0° |
| C26 | C15 | N9 | H2 | 120.3° | 120.0° |
| C26 | C15 | N9 | C8 | 100.9° | 90.0° |
| C26 | C15 | H1 | H2 | 119.2° | 120.0° |
| C15 | C26 | H12 | H13 | 120.4° | 120.0° |
| C15 | C26 | C27 | H19 | 180.0° | 60.0° |
| C15 | C26 | C27 | H20 | 60.0° | 60.1° |
| C15 | C26 | C27 | H21 | 60.0° | 180.0° |
| C21 | C22 | C23 | O25 | 139.6° | 137.3° |
| C21 | C22 | C23 | H10 | 119.6° | 119.5° |
| C21 | C22 | C23 | H11 | 119.6° | 119.5° |
| C22 | C21 | C20 | H6 | 178.2° | 173.9° |
| C22 | C21 | C20 | H7 | 58.3° | 66.9° |
| C22 | C21 | H8 | H9 | 120.2° | 120.1° |
| C21 | C22 | H10 | H11 | 121.2° | 121.0° |
| C5 | C10 | N9 | C15 | 179.3° | 180.0° |
| C5 | C10 | N9 | C8 | 1.5° | 0.1° |
| C10 | C5 | C4 | C3 | 179.7° | 179.9° |
| C10 | C5 | C4 | N7 | 0.7° | 0.1° |
| N9 | C10 | C5 | C4 | 1.1° | 0.0° |
| C10 | N9 | C15 | C8 | 177.9° | 179.9° |
| C10 | N9 | C8 | N7 | 1.3° | 0.1° |
| C10 | N9 | C8 | O16 | 179.2° | 180.0° |
| C10 | N9 | C15 | H1 | 158.5° | 30.0° |
| C10 | N9 | C15 | H2 | 39.0° | 150.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | N7 | 179.7° | 180.0° |
| C5 | C4 | N7 | C8 | 0.6° | 0.1° |
| C5 | C4 | N7 | C17 | 179.6° | 180.0° |
| C5 | C4 | C3 | H15 | 179.6° | 180.0° |
| O25 | C23 | C22 | H10 | 20.0° | 103.2° |
| O25 | C23 | C22 | H11 | 100.8° | 17.8° |
| C23 | C22 | C21 | H8 | 57.7° | 176.8° |
| C23 | C22 | C21 | H9 | 177.8° | 56.7° |
| C23 | C22 | H10 | H11 | 121.2° | 121.0° |
| C2 | C3 | C4 | H15 | 180.0° | 179.9° |
| C2 | C3 | C4 | N7 | 180.0° | 180.0° |
| C15 | N9 | C8 | N7 | 179.2° | 179.9° |
| C15 | N9 | C8 | O16 | 1.3° | 0.1° |
| N9 | C15 | H1 | H2 | 119.2° | 120.0° |
| N9 | C15 | C26 | H12 | 42.7° | 60.0° |
| N9 | C15 | C26 | H13 | 77.6° | 60.0° |
| N9 | C8 | N7 | C4 | 0.9° | 0.1° |
| N9 | C8 | N7 | O16 | 179.5° | 179.8° |
| N9 | C8 | N7 | C17 | 179.4° | 180.0° |
| C8 | N9 | C15 | H1 | 19.4° | 150.0° |
| C8 | N9 | C15 | H2 | 138.8° | 30.0° |
| C3 | C4 | N7 | C8 | 179.8° | 179.9° |
| C3 | C4 | N7 | C17 | 0.0° | 0.0° |
| C4 | C3 | C2 | H14 | 179.5° | 180.0° |
| C4 | N7 | C8 | C17 | 179.8° | 179.9° |
| C4 | N7 | C8 | O16 | 179.6° | 180.0° |
| C4 | N7 | C17 | H3 | 180.0° | 90.0° |
| C4 | N7 | C17 | H4 | 60.0° | 150.0° |
| C4 | N7 | C17 | H5 | 60.0° | 30.0° |
| N7 | C4 | C3 | H15 | 0.0° | 0.0° |
| C8 | N7 | C17 | H3 | 0.2° | 90.1° |
| C8 | N7 | C17 | H4 | 119.8° | 29.8° |
| C8 | N7 | C17 | H5 | 120.3° | 149.9° |
| O16 | C8 | N7 | C17 | 0.1° | 0.2° |
| N7 | C17 | H3 | H4 | 120.0° | 119.9° |
| N7 | C17 | H3 | H5 | 120.0° | 120.0° |
| N7 | C17 | H4 | H5 | 120.0° | 120.0° |
| H1 | C15 | C26 | H12 | 162.9° | 60.0° |
| H1 | C15 | C26 | H13 | 42.7° | 180.0° |
| H2 | C15 | C26 | H12 | 77.6° | 180.0° |
| H2 | C15 | C26 | H13 | 162.1° | 60.0° |
| H3 | C17 | H4 | H5 | 120.0° | 120.1° |
| H6 | C20 | C21 | H8 | 61.9° | 66.2° |
| H6 | C20 | C21 | H9 | 58.3° | 53.9° |
| H7 | C20 | C21 | H8 | 178.2° | 53.0° |
| H7 | C20 | C21 | H9 | 61.6° | 173.2° |
| H8 | C21 | C22 | H10 | 61.9° | 63.7° |
| H8 | C21 | C22 | H11 | 177.3° | 57.3° |
| H9 | C21 | C22 | H10 | 58.2° | 176.2° |
| H9 | C21 | C22 | H11 | 62.6° | 62.8° |
| H12 | C26 | C27 | H19 | 60.1° | 179.9° |
| H12 | C26 | C27 | H20 | 59.9° | 60.0° |
| H12 | C26 | C27 | H21 | 179.8° | 60.0° |
| H13 | C26 | C27 | H19 | 60.1° | 59.9° |
| H13 | C26 | C27 | H20 | 179.9° | NaN° |
| H13 | C26 | C27 | H21 | 59.9° | 60.0° |
| H14 | C2 | C3 | H15 | 0.5° | 0.0° |
| H16 | C11 | H17 | H18 | 119.9° | 120.0° |
| H19 | C27 | H20 | H21 | 120.0° | 120.0° |
