NII
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C9 | sing | 1.38Å | 1.36Å | |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C14 | sing | 1.48Å | 1.38Å | |
| C7 | C4 | sing | 1.42Å | 1.39Å | Aromatic |
| C14 | O1 | doub | 1.22Å | 1.25Å | |
| C14 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C18 | sing | 1.46Å | 1.46Å | |
| N2 | C13 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C24 | sing | 1.47Å | 1.47Å | |
| N5 | C23 | sing | 1.47Å | 1.48Å | |
| C13 | O4 | doub | 1.22Å | 1.25Å | |
| C13 | C3 | sing | 1.47Å | 1.40Å | |
| C10 | C11 | sing | 1.47Å | 1.39Å | |
| C10 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | O2 | doub | 1.22Å | 1.25Å | |
| C11 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C15 | sing | 1.47Å | 1.48Å | |
| N1 | C12 | sing | 1.35Å | 1.35Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C21 | sing | 1.47Å | 1.48Å | |
| N4 | C22 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | doub | 1.42Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.48Å | 1.39Å | |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | O3 | doub | 1.22Å | 1.25Å | |
| C4 | C3 | doub | 1.41Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | N6 | sing | 1.38Å | 1.36Å | |
| N6 | C25 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | O5 | sing | 1.43Å | 1.43Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C30 | C29 | 111.0° | 109.5° |
| C30 | O6 | HO6 | 109.5° | 114.0° |
| O6 | C30 | H30 | 108.9° | 109.4° |
| O6 | C30 | H30A | 108.6° | 109.4° |
| C30 | C29 | C28 | 110.7° | 109.5° |
| C29 | C30 | H30 | 109.0° | 109.5° |
| C29 | C30 | H30A | 108.6° | 109.5° |
| C30 | C29 | H29 | 109.0° | 109.5° |
| C30 | C29 | H29A | 108.8° | 109.5° |
| C29 | C28 | N3 | 106.8° | 109.5° |
| C28 | C29 | H29 | 109.1° | 109.4° |
| C28 | C29 | H29A | 108.8° | 109.5° |
| C29 | C28 | H28 | 110.4° | 109.4° |
| C29 | C28 | H28A | 110.9° | 109.5° |
| C28 | N3 | C9 | 119.1° | 120.1° |
| N3 | C28 | H28 | 110.4° | 109.5° |
| N3 | C28 | H28A | 110.9° | 109.4° |
| C28 | N3 | HN3 | 106.4° | 120.0° |
| N3 | C9 | C8 | 117.2° | 119.7° |
| N3 | C9 | C10 | 122.9° | 119.8° |
| C9 | N3 | HN3 | 106.4° | 119.9° |
| C8 | C9 | C10 | 119.9° | 120.6° |
| C9 | C8 | C7 | 120.6° | 120.6° |
| C9 | C8 | H8 | 119.7° | 119.7° |
| C9 | C10 | C11 | 123.4° | 122.3° |
| C9 | C10 | C5 | 118.4° | 119.3° |
| C8 | C7 | C14 | 120.3° | 122.2° |
| C8 | C7 | C4 | 120.0° | 119.5° |
| C7 | C8 | H8 | 119.7° | 119.7° |
| C14 | C7 | C4 | 119.7° | 118.3° |
| C7 | C14 | O1 | 119.4° | 119.9° |
| C7 | C14 | N2 | 118.9° | 120.2° |
| C7 | C4 | C5 | 119.9° | 120.1° |
| C7 | C4 | C3 | 121.1° | 119.9° |
| O1 | C14 | N2 | 121.7° | 119.9° |
| C14 | N2 | C18 | 121.2° | 118.7° |
| C14 | N2 | C13 | 122.2° | 122.7° |
| C18 | N2 | C13 | 116.6° | 118.6° |
| N2 | C18 | C19 | 116.3° | 109.5° |
| N2 | C18 | H18 | 107.3° | 109.4° |
| N2 | C18 | H18A | 105.7° | 109.4° |
| N2 | C13 | O4 | 118.8° | 119.8° |
| N2 | C13 | C3 | 121.2° | 120.4° |
| C18 | C19 | C20 | 107.8° | 109.5° |
| C19 | C18 | H18 | 107.2° | 109.5° |
| C19 | C18 | H18A | 105.7° | 109.5° |
| C18 | C19 | H19 | 110.0° | 109.5° |
| C18 | C19 | H19A | 110.4° | 109.5° |
| C19 | C20 | N5 | 111.2° | 109.5° |
| C20 | C19 | H19 | 110.0° | 109.4° |
| C20 | C19 | H19A | 110.4° | 109.5° |
| C19 | C20 | H20 | 108.9° | 109.5° |
| C19 | C20 | H20A | 108.5° | 109.5° |
| C20 | N5 | C24 | 110.3° | 111.0° |
| C20 | N5 | C23 | 111.9° | 111.0° |
| N5 | C20 | H20 | 108.9° | 109.5° |
| N5 | C20 | H20A | 108.5° | 109.4° |
| C24 | N5 | C23 | 109.2° | 110.9° |
| N5 | C24 | H24 | 109.5° | 109.4° |
| N5 | C24 | H24A | 109.5° | 109.5° |
| N5 | C24 | H24B | 109.5° | 109.5° |
| N5 | C23 | H23 | 109.5° | 109.5° |
| N5 | C23 | H23A | 109.5° | 109.6° |
| N5 | C23 | H23B | 109.5° | 109.5° |
| O4 | C13 | C3 | 120.0° | 119.8° |
| C13 | C3 | C4 | 117.0° | 118.5° |
| C13 | C3 | C2 | 121.7° | 122.3° |
| C11 | C10 | C5 | 118.1° | 118.4° |
| C10 | C11 | O2 | 119.3° | 119.8° |
| C10 | C11 | N1 | 122.2° | 120.4° |
| C10 | C5 | C6 | 118.5° | 119.9° |
| C10 | C5 | C4 | 121.2° | 120.0° |
| O2 | C11 | N1 | 118.4° | 119.7° |
| C11 | N1 | C15 | 119.0° | 118.6° |
| C11 | N1 | C12 | 120.4° | 122.7° |
| C15 | N1 | C12 | 120.6° | 118.7° |
| N1 | C15 | C16 | 112.5° | 109.5° |
| N1 | C15 | H15 | 108.5° | 109.4° |
| N1 | C15 | H15A | 107.8° | 109.5° |
| N1 | C12 | C6 | 119.9° | 120.3° |
| N1 | C12 | O3 | 121.8° | 119.9° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H15 | 108.4° | 109.5° |
| C16 | C15 | H15A | 107.8° | 109.5° |
| C15 | C16 | H16 | 108.5° | 109.4° |
| C15 | C16 | H16A | 108.0° | 109.5° |
| C16 | C17 | N4 | 112.9° | 109.5° |
| C17 | C16 | H16 | 108.6° | 109.5° |
| C17 | C16 | H16A | 107.9° | 109.5° |
| C16 | C17 | H17 | 108.3° | 109.4° |
| C16 | C17 | H17A | 107.6° | 109.4° |
| C17 | N4 | C21 | 111.4° | 111.0° |
| C17 | N4 | C22 | 109.8° | 111.0° |
| N4 | C17 | H17 | 108.3° | 109.5° |
| N4 | C17 | H17A | 107.5° | 109.5° |
| C21 | N4 | C22 | 108.2° | 111.0° |
| N4 | C21 | H21 | 109.5° | 109.5° |
| N4 | C21 | H21A | 109.5° | 109.4° |
| N4 | C21 | H21B | 109.4° | 109.4° |
| N4 | C22 | H22 | 109.5° | 109.4° |
| N4 | C22 | H22A | 109.5° | 109.5° |
| N4 | C22 | H22B | 109.5° | 109.4° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C5 | C6 | C12 | 120.8° | 118.3° |
| C5 | C6 | C1 | 120.5° | 119.4° |
| C5 | C4 | C3 | 119.1° | 120.0° |
| C12 | C6 | C1 | 118.8° | 122.3° |
| C6 | C12 | O3 | 118.3° | 119.9° |
| C6 | C1 | C2 | 119.6° | 120.7° |
| C6 | C1 | H1 | 120.2° | 119.6° |
| C4 | C3 | C2 | 121.3° | 119.2° |
| C3 | C2 | C1 | 119.3° | 120.5° |
| C3 | C2 | N6 | 121.5° | 119.7° |
| C1 | C2 | N6 | 119.2° | 119.7° |
| C2 | C1 | H1 | 120.2° | 119.7° |
| C2 | N6 | C25 | 121.9° | 120.0° |
| C2 | N6 | HN6 | 105.5° | 120.0° |
| N6 | C25 | C26 | 104.8° | 109.5° |
| C25 | N6 | HN6 | 105.5° | 120.0° |
| N6 | C25 | H25 | 111.0° | 109.5° |
| N6 | C25 | H25A | 112.0° | 109.5° |
| C25 | C26 | C27 | 111.5° | 109.5° |
| C26 | C25 | H25 | 111.0° | 109.5° |
| C26 | C25 | H25A | 112.0° | 109.5° |
| C25 | C26 | H26 | 108.8° | 109.4° |
| C25 | C26 | H26A | 108.3° | 109.5° |
| C26 | C27 | O5 | 110.8° | 109.4° |
| C27 | C26 | H26 | 108.8° | 109.4° |
| C27 | C26 | H26A | 108.4° | 109.5° |
| C26 | C27 | H27 | 109.0° | 109.4° |
| C26 | C27 | H27A | 108.7° | 109.5° |
| O5 | C27 | H27 | 109.0° | 109.5° |
| O5 | C27 | H27A | 108.8° | 109.5° |
| C27 | O5 | HO5 | 109.5° | 114.0° |
| H30 | C30 | H30A | 110.7° | 109.5° |
| H29 | C29 | H29A | 110.5° | 109.5° |
| H28 | C28 | H28A | 107.5° | 109.5° |
| H18 | C18 | H18A | 115.0° | 109.5° |
| H19 | C19 | H19A | 108.2° | 109.4° |
| H20 | C20 | H20A | 110.8° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.5° |
| H24 | C24 | H24B | 109.4° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| H23 | C23 | H23B | 109.4° | 109.4° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H15 | C15 | H15A | 111.9° | 109.4° |
| H16 | C16 | H16A | 111.6° | 109.4° |
| H17 | C17 | H17A | 112.2° | 109.4° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.4° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.6° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H25 | C25 | H25A | 105.9° | 109.4° |
| H26 | C26 | H26A | 111.0° | 109.5° |
| H27 | C27 | H27A | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C30 | C29 | H30 | 120.0° | 120.0° |
| O6 | C30 | C29 | H30A | 119.4° | 120.0° |
| O6 | C30 | C29 | C28 | 73.0° | 180.0° |
| O6 | C30 | H30 | H30A | 119.4° | 119.9° |
| O6 | C30 | C29 | H29 | 46.9° | 60.0° |
| O6 | C30 | C29 | H29A | 167.5° | 60.0° |
| C30 | C29 | C28 | H29 | 120.0° | 120.0° |
| C30 | C29 | C28 | H29A | 119.5° | 120.0° |
| C30 | C29 | C28 | N3 | 103.5° | 180.0° |
| C29 | C30 | O6 | HO6 | 171.9° | 180.0° |
| C29 | C30 | H30 | H30A | 119.4° | 120.0° |
| C30 | C29 | H29 | H29A | 119.5° | 120.0° |
| C30 | C29 | C28 | H28 | 16.5° | 60.0° |
| C30 | C29 | C28 | H28A | 135.5° | 60.0° |
| C29 | C28 | N3 | H28 | 120.0° | 120.0° |
| C29 | C28 | N3 | H28A | 121.0° | 120.0° |
| C29 | C28 | N3 | C9 | 171.4° | 180.0° |
| C28 | C29 | C30 | H30 | 167.0° | 60.0° |
| C28 | C29 | C30 | H30A | 46.3° | 60.0° |
| C28 | C29 | H29 | H29A | 119.5° | 120.0° |
| C29 | C28 | H28 | H28A | 121.1° | 120.0° |
| C29 | C28 | N3 | HN3 | 68.6° | 0.1° |
| C28 | N3 | C9 | HN3 | 120.0° | 179.9° |
| C28 | N3 | C9 | C8 | 0.0° | 6.0° |
| C28 | N3 | C9 | C10 | 179.0° | 173.6° |
| N3 | C28 | C29 | H29 | 136.5° | 60.0° |
| N3 | C28 | C29 | H29A | 16.0° | 60.0° |
| N3 | C28 | H28 | H28A | 121.1° | 120.0° |
| N3 | C9 | C8 | C10 | 179.0° | 179.6° |
| N3 | C9 | C8 | C7 | 179.7° | 180.0° |
| N3 | C9 | C10 | C11 | 2.4° | 0.1° |
| N3 | C9 | C10 | C5 | 178.9° | 180.0° |
| C9 | N3 | C28 | H28 | 51.3° | 60.0° |
| C9 | N3 | C28 | H28A | 67.6° | 60.0° |
| N3 | C9 | C8 | H8 | 0.3° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C14 | 180.0° | 180.0° |
| C9 | C8 | C7 | C4 | 0.4° | 0.0° |
| C8 | C9 | C10 | C11 | 178.7° | 179.7° |
| C8 | C9 | C10 | C5 | 2.2° | 0.3° |
| C8 | C9 | N3 | HN3 | 120.0° | 173.9° |
| C10 | C9 | C8 | C7 | 1.3° | 0.3° |
| C9 | C10 | C11 | C5 | 176.5° | 179.9° |
| C9 | C10 | C11 | O2 | 2.4° | 0.0° |
| C9 | C10 | C11 | N1 | 178.6° | 180.0° |
| C9 | C10 | C5 | C6 | 179.0° | 180.0° |
| C9 | C10 | C5 | C4 | 2.3° | 0.1° |
| C10 | C9 | N3 | HN3 | 61.0° | 6.5° |
| C10 | C9 | C8 | H8 | 178.7° | 179.8° |
| C8 | C7 | C14 | C4 | 179.6° | 180.0° |
| C8 | C7 | C14 | O1 | 0.2° | 0.0° |
| C8 | C7 | C14 | N2 | 179.8° | 180.0° |
| C8 | C7 | C4 | C5 | 0.5° | 0.2° |
| C8 | C7 | C4 | C3 | 179.4° | 179.9° |
| C7 | C14 | O1 | N2 | 179.5° | 180.0° |
| C7 | C14 | N2 | C18 | 179.1° | 180.0° |
| C7 | C14 | N2 | C13 | 1.2° | 0.1° |
| C14 | C7 | C4 | C5 | 179.9° | 179.8° |
| C14 | C7 | C4 | C3 | 0.2° | 0.0° |
| C14 | C7 | C8 | H8 | 0.0° | 0.1° |
| C4 | C7 | C14 | O1 | 179.8° | 180.0° |
| C4 | C7 | C14 | N2 | 0.6° | 0.0° |
| C7 | C4 | C3 | C13 | 0.4° | 0.1° |
| C7 | C4 | C5 | C10 | 1.5° | 0.2° |
| C7 | C4 | C5 | C6 | 179.9° | 179.7° |
| C7 | C4 | C5 | C3 | 179.9° | 179.7° |
| C7 | C4 | C3 | C2 | 179.8° | 180.0° |
| C4 | C7 | C8 | H8 | 179.6° | 180.0° |
| O1 | C14 | N2 | C18 | 1.3° | 0.0° |
| O1 | C14 | N2 | C13 | 179.3° | 180.0° |
| C14 | N2 | C18 | C13 | 178.0° | 179.9° |
| C14 | N2 | C18 | C19 | 70.5° | 90.0° |
| C14 | N2 | C13 | O4 | 179.5° | 180.0° |
| C14 | N2 | C13 | C3 | 1.0° | 0.0° |
| C14 | N2 | C18 | H18 | 169.5° | 150.0° |
| C14 | N2 | C18 | H18A | 46.4° | 30.0° |
| N2 | C18 | C19 | H18 | 120.0° | 120.0° |
| N2 | C18 | C19 | H18A | 116.9° | 120.0° |
| N2 | C18 | C19 | C20 | 172.2° | 180.0° |
| C18 | N2 | C13 | O4 | 1.5° | 0.1° |
| C18 | N2 | C13 | C3 | 179.0° | 179.9° |
| N2 | C18 | H18 | H18A | 117.2° | 119.9° |
| N2 | C18 | C19 | H19 | 52.2° | 60.0° |
| N2 | C18 | C19 | H19A | 67.2° | 60.0° |
| C13 | N2 | C18 | C19 | 111.4° | 90.0° |
| N2 | C13 | O4 | C3 | 179.5° | 180.0° |
| N2 | C13 | C3 | C4 | 0.1° | 0.1° |
| N2 | C13 | C3 | C2 | 179.3° | 180.0° |
| C13 | N2 | C18 | H18 | 8.5° | 30.1° |
| C13 | N2 | C18 | H18A | 131.7° | 150.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 120.7° | 120.0° |
| C18 | C19 | C20 | N5 | 47.6° | 180.0° |
| C19 | C18 | H18 | H18A | 117.2° | 120.0° |
| C18 | C19 | H19 | H19A | 120.7° | 120.0° |
| C18 | C19 | C20 | H20 | 167.6° | 60.0° |
| C18 | C19 | C20 | H20A | 71.7° | 60.0° |
| C19 | C20 | N5 | H20 | 120.0° | 120.0° |
| C19 | C20 | N5 | H20A | 119.3° | 120.0° |
| C19 | C20 | N5 | C24 | 125.9° | 66.1° |
| C19 | C20 | N5 | C23 | 112.3° | 170.0° |
| C20 | C19 | C18 | H18 | 67.8° | 60.0° |
| C20 | C19 | C18 | H18A | 55.3° | 60.0° |
| C20 | C19 | H19 | H19A | 120.7° | 119.9° |
| C19 | C20 | H20 | H20A | 119.3° | 120.0° |
| C20 | N5 | C24 | C23 | 123.3° | 124.0° |
| N5 | C20 | C19 | H19 | 72.4° | 59.9° |
| N5 | C20 | C19 | H19A | 168.2° | 60.0° |
| N5 | C20 | H20 | H20A | 119.3° | 120.0° |
| C20 | N5 | C24 | H24 | 0.0° | 59.9° |
| C20 | N5 | C24 | H24A | 120.0° | 180.0° |
| C20 | N5 | C24 | H24B | 120.0° | 60.0° |
| C20 | N5 | C23 | H23 | 178.3° | 60.0° |
| C20 | N5 | C23 | H23A | 61.7° | 180.0° |
| C20 | N5 | C23 | H23B | 58.4° | 59.9° |
| C24 | N5 | C20 | H20 | 5.9° | 54.0° |
| C24 | N5 | C20 | H20A | 114.8° | 174.0° |
| N5 | C24 | H24 | H24A | 120.0° | 120.1° |
| N5 | C24 | H24 | H24B | 120.0° | 119.9° |
| N5 | C24 | H24A | H24B | 120.0° | 120.0° |
| C24 | N5 | C23 | H23 | 59.3° | 176.0° |
| C24 | N5 | C23 | H23A | 60.7° | 56.0° |
| C24 | N5 | C23 | H23B | 179.2° | 64.0° |
| C23 | N5 | C20 | H20 | 127.7° | 70.0° |
| C23 | N5 | C20 | H20A | 7.0° | 50.1° |
| C23 | N5 | C24 | H24 | 123.4° | 64.0° |
| C23 | N5 | C24 | H24A | 3.3° | 56.0° |
| C23 | N5 | C24 | H24B | 116.7° | 176.1° |
| N5 | C23 | H23 | H23A | 120.0° | 120.1° |
| N5 | C23 | H23 | H23B | 120.0° | 120.0° |
| N5 | C23 | H23A | H23B | 120.0° | 120.1° |
| O4 | C13 | C3 | C4 | 179.6° | 179.9° |
| O4 | C13 | C3 | C2 | 0.2° | 0.0° |
| C13 | C3 | C4 | C5 | 179.7° | 179.8° |
| C13 | C3 | C4 | C2 | 179.4° | 179.9° |
| C13 | C3 | C2 | C1 | 179.6° | 179.6° |
| C13 | C3 | C2 | N6 | 0.2° | 0.0° |
| C10 | C11 | O2 | N1 | 179.1° | 180.0° |
| C10 | C11 | N1 | C15 | 178.0° | 180.0° |
| C10 | C11 | N1 | C12 | 0.6° | 0.0° |
| C11 | C10 | C5 | C6 | 2.3° | 0.1° |
| C11 | C10 | C5 | C4 | 179.0° | 180.0° |
| C5 | C10 | C11 | O2 | 178.9° | 179.9° |
| C5 | C10 | C11 | N1 | 2.1° | 0.0° |
| C10 | C5 | C6 | C4 | 178.7° | 179.9° |
| C10 | C5 | C6 | C12 | 1.2° | 0.1° |
| C10 | C5 | C6 | C1 | 178.5° | 180.0° |
| C10 | C5 | C4 | C3 | 178.4° | 179.9° |
| O2 | C11 | N1 | C15 | 1.1° | 0.1° |
| O2 | C11 | N1 | C12 | 179.6° | 180.0° |
| C11 | N1 | C15 | C12 | 178.5° | 180.0° |
| C11 | N1 | C15 | C16 | 119.3° | 90.1° |
| C11 | N1 | C12 | C6 | 0.6° | 0.0° |
| C11 | N1 | C12 | O3 | 179.4° | 180.0° |
| C11 | N1 | C15 | H15 | 0.7° | 150.0° |
| C11 | N1 | C15 | H15A | 122.1° | 30.0° |
| N1 | C15 | C16 | H15 | 120.0° | 119.9° |
| N1 | C15 | C16 | H15A | 118.7° | 120.1° |
| N1 | C15 | C16 | C17 | 148.8° | 180.0° |
| C15 | N1 | C12 | C6 | 179.1° | 180.0° |
| C15 | N1 | C12 | O3 | 0.9° | 0.0° |
| N1 | C15 | H15 | H15A | 118.8° | 120.0° |
| N1 | C15 | C16 | H16 | 91.2° | 60.0° |
| N1 | C15 | C16 | H16A | 30.0° | 59.9° |
| C12 | N1 | C15 | C16 | 62.2° | 90.0° |
| N1 | C12 | C6 | C5 | 0.3° | 0.1° |
| N1 | C12 | C6 | O3 | 180.0° | 180.0° |
| N1 | C12 | C6 | C1 | 180.0° | 180.0° |
| C12 | N1 | C15 | H15 | 177.8° | 30.0° |
| C12 | N1 | C15 | H15A | 56.5° | 150.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 118.8° | 120.1° |
| C15 | C16 | C17 | N4 | 93.4° | 180.0° |
| C16 | C15 | H15 | H15A | 118.7° | 120.1° |
| C15 | C16 | H16 | H16A | 118.9° | 120.0° |
| C15 | C16 | C17 | H17 | 146.6° | 60.0° |
| C15 | C16 | C17 | H17A | 25.2° | 59.9° |
| C16 | C17 | N4 | H17 | 120.0° | 120.0° |
| C16 | C17 | N4 | H17A | 118.5° | 120.0° |
| C16 | C17 | N4 | C21 | 80.9° | 170.0° |
| C16 | C17 | N4 | C22 | 159.2° | 66.1° |
| C17 | C16 | C15 | H15 | 28.8° | 60.0° |
| C17 | C16 | C15 | H15A | 92.5° | 60.0° |
| C17 | C16 | H16 | H16A | 118.9° | 120.0° |
| C16 | C17 | H17 | H17A | 118.6° | 119.9° |
| C17 | N4 | C21 | C22 | 120.8° | 123.9° |
| N4 | C17 | C16 | H16 | 26.6° | 60.0° |
| N4 | C17 | C16 | H16A | 147.8° | 59.9° |
| N4 | C17 | H17 | H17A | 118.6° | 120.1° |
| C17 | N4 | C21 | H21 | 136.4° | 60.0° |
| C17 | N4 | C21 | H21A | 16.4° | 180.0° |
| C17 | N4 | C21 | H21B | 103.6° | 60.0° |
| C17 | N4 | C22 | H22 | 67.0° | 60.0° |
| C17 | N4 | C22 | H22A | 53.0° | 179.9° |
| C17 | N4 | C22 | H22B | 173.0° | 60.0° |
| C21 | N4 | C17 | H17 | 39.1° | 50.0° |
| C21 | N4 | C17 | H17A | 160.6° | 70.0° |
| N4 | C21 | H21 | H21A | 120.0° | 119.9° |
| N4 | C21 | H21 | H21B | 120.0° | 120.0° |
| N4 | C21 | H21A | H21B | 120.0° | 120.0° |
| C21 | N4 | C22 | H22 | 54.8° | 176.1° |
| C21 | N4 | C22 | H22A | 174.7° | 56.0° |
| C21 | N4 | C22 | H22B | 65.2° | 64.0° |
| C22 | N4 | C17 | H17 | 80.7° | 173.9° |
| C22 | N4 | C17 | H17A | 40.7° | 53.9° |
| C22 | N4 | C21 | H21 | 102.8° | 63.9° |
| C22 | N4 | C21 | H21A | 137.2° | 56.0° |
| C22 | N4 | C21 | H21B | 17.2° | 176.1° |
| N4 | C22 | H22 | H22A | 120.0° | 120.0° |
| N4 | C22 | H22 | H22B | 120.0° | 119.9° |
| N4 | C22 | H22A | H22B | 120.0° | 120.0° |
| C5 | C6 | C12 | C1 | 179.8° | 179.9° |
| C5 | C6 | C12 | O3 | 179.7° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.1° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| C4 | C5 | C6 | C12 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C5 | C4 | C3 | C2 | 0.3° | 0.3° |
| C12 | C6 | C1 | C2 | 179.9° | 179.8° |
| C12 | C6 | C1 | H1 | 0.1° | 0.1° |
| C1 | C6 | C12 | O3 | 0.0° | 0.1° |
| C6 | C1 | C2 | C3 | 0.2° | 0.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | N6 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.5° |
| C4 | C3 | C2 | N6 | 179.6° | 179.9° |
| C3 | C2 | C1 | N6 | 179.8° | 179.6° |
| C3 | C2 | N6 | C25 | 179.9° | 174.5° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C3 | C2 | N6 | HN6 | 60.1° | 5.5° |
| C1 | C2 | N6 | C25 | 0.1° | 5.9° |
| C1 | C2 | N6 | HN6 | 120.1° | 174.1° |
| C2 | N6 | C25 | HN6 | 120.0° | 179.9° |
| C2 | N6 | C25 | C26 | 144.9° | 179.9° |
| N6 | C2 | C1 | H1 | 0.3° | 0.1° |
| C2 | N6 | C25 | H25 | 95.1° | 59.9° |
| C2 | N6 | C25 | H25A | 23.2° | 60.0° |
| N6 | C25 | C26 | H25 | 120.0° | 120.0° |
| N6 | C25 | C26 | H25A | 121.8° | 120.0° |
| N6 | C25 | C26 | C27 | 136.6° | 179.9° |
| N6 | C25 | H25 | H25A | 121.9° | 120.0° |
| N6 | C25 | C26 | H26 | 16.5° | 60.0° |
| N6 | C25 | C26 | H26A | 104.3° | 60.0° |
| C25 | C26 | C27 | H26 | 120.0° | 119.9° |
| C25 | C26 | C27 | H26A | 119.1° | 120.0° |
| C25 | C26 | C27 | O5 | 175.1° | 180.0° |
| C26 | C25 | N6 | HN6 | 25.0° | 0.0° |
| C26 | C25 | H25 | H25A | 121.9° | 120.0° |
| C25 | C26 | H26 | H26A | 119.1° | 120.0° |
| C25 | C26 | C27 | H27 | 55.1° | 60.1° |
| C25 | C26 | C27 | H27A | 65.4° | 60.0° |
| C26 | C27 | O5 | H27 | 120.0° | 119.9° |
| C26 | C27 | O5 | H27A | 119.4° | 120.0° |
| C27 | C26 | C25 | H25 | 103.4° | 60.0° |
| C27 | C26 | C25 | H25A | 14.8° | 59.9° |
| C27 | C26 | H26 | H26A | 119.2° | 120.0° |
| C26 | C27 | H27 | H27A | 119.4° | 120.0° |
| C26 | C27 | O5 | HO5 | 147.3° | 179.9° |
| O5 | C27 | C26 | H26 | 64.9° | 60.1° |
| O5 | C27 | C26 | H26A | 56.0° | 60.0° |
| O5 | C27 | H27 | H27A | 119.5° | 120.0° |
| HO6 | O6 | C30 | H30 | 68.1° | 59.9° |
| HO6 | O6 | C30 | H30A | 52.6° | 60.0° |
| H30 | C30 | C29 | H29 | 73.0° | 180.0° |
| H30 | C30 | C29 | H29A | 47.5° | 60.0° |
| H30A | C30 | C29 | H29 | 166.3° | 60.0° |
| H30A | C30 | C29 | H29A | 73.2° | 180.0° |
| H29 | C29 | C28 | H28 | 103.5° | 180.0° |
| H29 | C29 | C28 | H28A | 15.5° | 60.0° |
| H29A | C29 | C28 | H28 | 136.0° | 60.0° |
| H29A | C29 | C28 | H28A | 105.0° | 180.0° |
| H28 | C28 | N3 | HN3 | 171.3° | 119.9° |
| H28A | C28 | N3 | HN3 | 52.4° | 120.1° |
| H18 | C18 | C19 | H19 | 172.2° | 180.0° |
| H18 | C18 | C19 | H19A | 52.8° | 60.0° |
| H18A | C18 | C19 | H19 | 64.7° | 60.0° |
| H18A | C18 | C19 | H19A | 176.0° | 180.0° |
| H19 | C19 | C20 | H20 | 47.6° | 180.0° |
| H19 | C19 | C20 | H20A | 168.3° | 60.0° |
| H19A | C19 | C20 | H20 | 71.8° | 60.0° |
| H19A | C19 | C20 | H20A | 49.0° | 179.9° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H23 | C23 | H23A | H23B | 119.9° | 119.9° |
| H15 | C15 | C16 | H16 | 148.8° | 180.0° |
| H15 | C15 | C16 | H16A | 90.0° | 60.0° |
| H15A | C15 | C16 | H16 | 27.5° | 60.0° |
| H15A | C15 | C16 | H16A | 148.7° | 180.0° |
| H16 | C16 | C17 | H17 | 93.4° | 180.0° |
| H16 | C16 | C17 | H17A | 145.1° | 60.1° |
| H16A | C16 | C17 | H17 | 27.8° | 60.1° |
| H16A | C16 | C17 | H17A | 93.7° | 180.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.1° |
| H22 | C22 | H22A | H22B | 120.0° | 120.1° |
| HN6 | N6 | C25 | H25 | 145.0° | 120.0° |
| HN6 | N6 | C25 | H25A | 96.8° | 120.0° |
| H25 | C25 | C26 | H26 | 136.5° | 180.0° |
| H25 | C25 | C26 | H26A | 15.7° | 60.0° |
| H25A | C25 | C26 | H26 | 105.2° | 60.0° |
| H25A | C25 | C26 | H26A | 134.0° | 180.0° |
| H26 | C26 | C27 | H27 | 175.1° | NaN° |
| H26 | C26 | C27 | H27A | 54.6° | 60.0° |
| H26A | C26 | C27 | H27 | 64.0° | 60.0° |
| H26A | C26 | C27 | H27A | 175.4° | 180.0° |
| H27 | C27 | O5 | HO5 | 92.7° | 60.0° |
| H27A | C27 | O5 | HO5 | 27.8° | 60.0° |
