9JZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | N3 | sing | 1.35Å | 1.34Å | |
| C4 | C12 | sing | 1.53Å | 1.54Å | |
| C4 | N2 | sing | 1.46Å | 1.46Å | |
| C12 | C18 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| N2 | C3 | sing | 1.35Å | 1.33Å | |
| C3 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C13 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| N3 | C6 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.55Å | 1.52Å | |
| C8 | C7 | sing | 1.55Å | 1.51Å | |
| C7 | C28 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | O1 | doub | 1.21Å | 1.22Å | |
| C10 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C11 | sing | 1.40Å | 1.40Å | |
| C11 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.49Å | Aromatic |
| C20 | N6 | doub | 1.33Å | 1.36Å | Aromatic |
| C20 | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| N6 | C23 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | 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) |
| O3 | C5 | C4 | 119.6° | 120.0° |
| O3 | C5 | N3 | 123.3° | 120.0° |
| C4 | C5 | N3 | 117.1° | 120.0° |
| C5 | C4 | C12 | 109.2° | 109.5° |
| C5 | C4 | N2 | 111.9° | 109.5° |
| C5 | C4 | H4 | 108.0° | 109.5° |
| C5 | N3 | C9 | 126.8° | 125.7° |
| C5 | N3 | C6 | 121.8° | 125.6° |
| C12 | C4 | N2 | 109.2° | 109.5° |
| C4 | C12 | C18 | 114.8° | 109.5° |
| C4 | C12 | C14 | 113.1° | 109.5° |
| C12 | C4 | H4 | 110.7° | 109.5° |
| C4 | C12 | H12 | 103.3° | 109.4° |
| C4 | N2 | C3 | 122.7° | 120.0° |
| N2 | C4 | H4 | 107.9° | 109.5° |
| C4 | N2 | HN2 | 118.7° | 120.0° |
| C18 | C12 | C14 | 110.8° | 109.5° |
| C12 | C18 | C17 | 111.7° | 109.5° |
| C18 | C12 | H12 | 106.0° | 109.5° |
| C12 | C18 | H18 | 108.8° | 109.5° |
| C12 | C18 | H18A | 108.2° | 109.5° |
| C12 | C14 | C15 | 110.2° | 109.4° |
| C14 | C12 | H12 | 108.0° | 109.5° |
| C12 | C14 | H14 | 109.2° | 109.5° |
| C12 | C14 | H14A | 109.1° | 109.5° |
| C18 | C17 | C16 | 112.0° | 109.4° |
| C17 | C18 | H18 | 108.7° | 109.5° |
| C17 | C18 | H18A | 108.2° | 109.5° |
| C18 | C17 | H17 | 108.6° | 109.4° |
| C18 | C17 | H17A | 108.0° | 109.4° |
| C17 | C16 | C15 | 111.5° | 109.5° |
| C16 | C17 | H17 | 108.7° | 109.5° |
| C16 | C17 | H17A | 108.0° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.4° |
| C17 | C16 | H16A | 108.4° | 109.4° |
| C16 | C15 | C14 | 111.0° | 109.5° |
| C15 | C16 | H16 | 108.8° | 109.5° |
| C15 | C16 | H16A | 108.4° | 109.5° |
| C16 | C15 | H15 | 109.0° | 109.5° |
| C16 | C15 | H15A | 108.6° | 109.5° |
| C14 | C15 | H15 | 108.9° | 109.4° |
| C14 | C15 | H15A | 108.6° | 109.5° |
| C15 | C14 | H14 | 109.2° | 109.5° |
| C15 | C14 | H14A | 109.0° | 109.5° |
| N2 | C3 | O2 | 123.9° | 120.0° |
| N2 | C3 | C2 | 115.7° | 120.0° |
| C3 | N2 | HN2 | 118.6° | 120.0° |
| O2 | C3 | C2 | 120.3° | 120.0° |
| C3 | C2 | C13 | 109.4° | 109.5° |
| C3 | C2 | N1 | 111.4° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.4° |
| C13 | C2 | N1 | 111.3° | 109.5° |
| C13 | C2 | H2 | 108.9° | 109.5° |
| C2 | C13 | H13 | 109.5° | 109.5° |
| C2 | C13 | H13A | 109.5° | 109.5° |
| C2 | C13 | H13B | 109.5° | 109.5° |
| C2 | N1 | C1 | 119.2° | 111.0° |
| N1 | C2 | H2 | 106.9° | 109.5° |
| C2 | N1 | HN1 | 106.3° | 111.0° |
| C1 | N1 | HN1 | 106.4° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H1A | 109.4° | 109.5° |
| N1 | C1 | H1B | 109.5° | 109.5° |
| C9 | N3 | C6 | 111.4° | 108.7° |
| N3 | C9 | C8 | 104.4° | 104.8° |
| N3 | C9 | H9 | 111.2° | 110.4° |
| N3 | C9 | H9A | 112.3° | 110.4° |
| N3 | C6 | C7 | 103.8° | 107.3° |
| N3 | C6 | C10 | 115.3° | 109.9° |
| N3 | C6 | H6 | 108.3° | 109.9° |
| C9 | C8 | C7 | 103.3° | 101.6° |
| C8 | C9 | H9 | 111.2° | 110.4° |
| C8 | C9 | H9A | 112.3° | 110.4° |
| C9 | C8 | H8 | 111.6° | 111.0° |
| C9 | C8 | H8A | 112.9° | 111.0° |
| C8 | C7 | C28 | 114.0° | 110.7° |
| C8 | C7 | C6 | 105.4° | 103.0° |
| C7 | C8 | H8 | 111.6° | 111.0° |
| C7 | C8 | H8A | 112.9° | 111.0° |
| C8 | C7 | H7 | 110.9° | 110.7° |
| C28 | C7 | C6 | 113.9° | 110.9° |
| C28 | C7 | H7 | 101.8° | 110.6° |
| C7 | C28 | H28 | 109.5° | 109.5° |
| C7 | C28 | H28A | 109.5° | 109.5° |
| C7 | C28 | H28B | 109.5° | 109.5° |
| C7 | C6 | C10 | 105.5° | 110.0° |
| C6 | C7 | H7 | 111.0° | 110.7° |
| C7 | C6 | H6 | 117.6° | 109.8° |
| C6 | C10 | O1 | 118.3° | 120.0° |
| C6 | C10 | N4 | 117.6° | 120.0° |
| C10 | C6 | H6 | 106.6° | 110.0° |
| O1 | C10 | N4 | 124.1° | 120.0° |
| C10 | N4 | C11 | 122.8° | 120.0° |
| C10 | N4 | HN4 | 118.6° | 120.0° |
| N4 | C11 | C27 | 121.4° | 120.1° |
| N4 | C11 | C19 | 119.1° | 120.2° |
| C11 | N4 | HN4 | 118.6° | 120.0° |
| C27 | C11 | C19 | 119.4° | 119.7° |
| C11 | C27 | C26 | 120.5° | 120.0° |
| C11 | C27 | H27 | 119.7° | 120.0° |
| C11 | C19 | C24 | 119.7° | 119.7° |
| C11 | C19 | C20 | 122.3° | 120.2° |
| C27 | C26 | C25 | 120.0° | 120.4° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| C27 | C26 | H26 | 120.0° | 119.8° |
| C26 | C25 | C24 | 119.8° | 120.3° |
| C25 | C26 | H26 | 120.0° | 119.8° |
| C26 | C25 | H25 | 120.1° | 119.9° |
| C25 | C24 | C19 | 120.5° | 119.9° |
| C24 | C25 | H25 | 120.1° | 119.9° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C19 | C20 | 118.0° | 120.2° |
| C19 | C24 | H24 | 119.7° | 120.0° |
| C19 | C20 | N6 | 119.5° | 119.2° |
| C19 | C20 | N5 | 120.5° | 119.2° |
| N6 | C20 | N5 | 120.0° | 121.5° |
| C20 | N6 | C23 | 120.9° | 120.7° |
| C20 | N5 | C21 | 121.0° | 120.7° |
| N6 | C23 | C22 | 119.7° | 119.2° |
| N6 | C23 | H23 | 120.2° | 120.3° |
| C23 | C22 | C21 | 118.9° | 118.5° |
| C22 | C23 | H23 | 120.2° | 120.4° |
| C23 | C22 | H22 | 120.6° | 120.7° |
| C22 | C21 | N5 | 119.5° | 119.2° |
| C21 | C22 | H22 | 120.5° | 120.8° |
| C22 | C21 | H21 | 120.2° | 120.4° |
| N5 | C21 | H21 | 120.2° | 120.3° |
| H18 | C18 | H18A | 111.2° | 109.4° |
| H17 | C17 | H17A | 111.5° | 109.5° |
| H16 | C16 | H16A | 111.0° | 109.4° |
| H15 | C15 | H15A | 110.7° | 109.4° |
| H14 | C14 | H14A | 110.1° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.4° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H9 | C9 | H9A | 105.6° | 110.4° |
| H8 | C8 | H8A | 104.8° | 110.9° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | C4 | N3 | 179.0° | 179.7° |
| O3 | C5 | C4 | C12 | 95.4° | 85.0° |
| O3 | C5 | C4 | N2 | 25.6° | 35.0° |
| O3 | C5 | N3 | C9 | 179.6° | 175.2° |
| O3 | C5 | N3 | C6 | 0.5° | 4.5° |
| O3 | C5 | C4 | H4 | 144.2° | 155.1° |
| C5 | C4 | C12 | N2 | 122.6° | 120.0° |
| C5 | C4 | C12 | H4 | 118.7° | 120.0° |
| C5 | C4 | N2 | H4 | 118.7° | 120.0° |
| C5 | C4 | C12 | C18 | 63.6° | 178.7° |
| C5 | C4 | C12 | C14 | 167.9° | 61.3° |
| C5 | C4 | N2 | C3 | 138.9° | 155.0° |
| C4 | C5 | N3 | C9 | 1.4° | 4.5° |
| C4 | C5 | N3 | C6 | 179.5° | 175.8° |
| C5 | C4 | C12 | H12 | 51.4° | 58.7° |
| C5 | C4 | N2 | HN2 | 41.1° | 24.9° |
| N3 | C5 | C4 | C12 | 83.6° | 94.7° |
| N3 | C5 | C4 | N2 | 155.4° | 145.3° |
| C5 | N3 | C9 | C6 | 179.2° | 179.8° |
| C5 | N3 | C9 | C8 | 164.2° | 155.9° |
| C5 | N3 | C6 | C7 | 174.5° | 178.8° |
| C5 | N3 | C6 | C10 | 59.6° | 61.6° |
| N3 | C5 | C4 | H4 | 36.8° | 25.2° |
| C5 | N3 | C9 | H9 | 44.3° | 37.1° |
| C5 | N3 | C9 | H9A | 73.9° | 85.2° |
| C5 | N3 | C6 | H6 | 59.7° | 59.5° |
| C12 | C4 | N2 | H4 | 120.4° | 120.0° |
| C4 | C12 | C18 | C14 | 129.6° | 120.0° |
| C4 | C12 | C18 | H12 | 113.4° | 120.0° |
| C4 | C12 | C14 | H12 | 113.8° | 119.9° |
| C4 | C12 | C18 | C17 | 175.4° | 180.0° |
| C4 | C12 | C14 | C15 | 171.7° | 180.0° |
| C12 | C4 | N2 | C3 | 100.1° | 85.0° |
| C4 | C12 | C18 | H18 | 64.6° | 60.0° |
| C4 | C12 | C18 | H18A | 56.3° | 60.0° |
| C4 | C12 | C14 | H14 | 51.8° | 60.0° |
| C4 | C12 | C14 | H14A | 68.6° | 60.0° |
| C12 | C4 | N2 | HN2 | 79.9° | 95.0° |
| N2 | C4 | C12 | C18 | 59.0° | 58.7° |
| N2 | C4 | C12 | C14 | 69.5° | 178.7° |
| C4 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C4 | N2 | C3 | O2 | 1.7° | 0.0° |
| C4 | N2 | C3 | C2 | 179.8° | 179.9° |
| N2 | C4 | C12 | H12 | 173.9° | 61.3° |
| C18 | C12 | C14 | H12 | 115.7° | 120.1° |
| C12 | C18 | C17 | H18 | 120.0° | 120.0° |
| C12 | C18 | C17 | H18A | 119.1° | 120.0° |
| C12 | C18 | C17 | C16 | 52.5° | 60.0° |
| C18 | C12 | C14 | C15 | 57.7° | 60.0° |
| C18 | C12 | C4 | H4 | 177.6° | 61.3° |
| C12 | C18 | H18 | H18A | 119.1° | 120.0° |
| C12 | C18 | C17 | H17 | 172.6° | 180.0° |
| C12 | C18 | C17 | H17A | 66.4° | 60.0° |
| C18 | C12 | C14 | H14 | 177.7° | 180.0° |
| C18 | C12 | C14 | H14A | 61.9° | 60.0° |
| C14 | C12 | C18 | C17 | 55.0° | 60.0° |
| C12 | C14 | C15 | C16 | 58.4° | 60.0° |
| C12 | C14 | C15 | H14 | 120.0° | 120.0° |
| C12 | C14 | C15 | H14A | 119.7° | 120.0° |
| C14 | C12 | C4 | H4 | 49.2° | 58.7° |
| C14 | C12 | C18 | H18 | 65.0° | 60.0° |
| C14 | C12 | C18 | H18A | 174.0° | 180.0° |
| C12 | C14 | C15 | H15 | 178.4° | 180.0° |
| C12 | C14 | C15 | H15A | 61.0° | 60.1° |
| C12 | C14 | H14 | H14A | 119.7° | 120.0° |
| C18 | C17 | C16 | H17 | 120.0° | 119.9° |
| C18 | C17 | C16 | H17A | 118.9° | 120.0° |
| C18 | C17 | C16 | C15 | 52.9° | 60.0° |
| C17 | C18 | C12 | H12 | 62.0° | 60.0° |
| C17 | C18 | H18 | H18A | 119.1° | 120.0° |
| C18 | C17 | H17 | H17A | 118.9° | 120.0° |
| C18 | C17 | C16 | H16 | 67.1° | 60.0° |
| C18 | C17 | C16 | H16A | 172.0° | 180.0° |
| C17 | C16 | C15 | H16 | 120.0° | 120.0° |
| C17 | C16 | C15 | H16A | 119.2° | 120.0° |
| C17 | C16 | C15 | C14 | 55.9° | 60.0° |
| C16 | C17 | C18 | H18 | 67.5° | 60.1° |
| C16 | C17 | C18 | H18A | 171.6° | 180.0° |
| C16 | C17 | H17 | H17A | 119.0° | 120.1° |
| C17 | C16 | H16 | H16A | 119.2° | 119.9° |
| C17 | C16 | C15 | H15 | 175.9° | 180.0° |
| C17 | C16 | C15 | H15A | 63.4° | 60.0° |
| C16 | C15 | C14 | H15 | 120.0° | 120.0° |
| C16 | C15 | C14 | H15A | 119.4° | 120.0° |
| C15 | C16 | C17 | H17 | 172.8° | 179.9° |
| C15 | C16 | C17 | H17A | 66.0° | 60.0° |
| C15 | C16 | H16 | H16A | 119.2° | 120.0° |
| C16 | C15 | H15 | H15A | 119.4° | 120.0° |
| C16 | C15 | C14 | H14 | 178.4° | 180.0° |
| C16 | C15 | C14 | H14A | 61.3° | 60.0° |
| C15 | C14 | C12 | H12 | 58.0° | 60.1° |
| C14 | C15 | C16 | H16 | 64.1° | 60.0° |
| C14 | C15 | C16 | H16A | 175.1° | 180.0° |
| C14 | C15 | H15 | H15A | 119.3° | 120.0° |
| C15 | C14 | H14 | H14A | 119.7° | 120.0° |
| N2 | C3 | O2 | C2 | 178.4° | 180.0° |
| N2 | C3 | C2 | C13 | 81.2° | 60.0° |
| N2 | C3 | C2 | N1 | 155.4° | 180.0° |
| C3 | N2 | C4 | H4 | 20.3° | 35.0° |
| N2 | C3 | C2 | H2 | 37.7° | 60.0° |
| O2 | C3 | C2 | C13 | 100.3° | 120.0° |
| O2 | C3 | C2 | N1 | 23.1° | 0.1° |
| O2 | C3 | N2 | HN2 | 178.3° | 180.0° |
| O2 | C3 | C2 | H2 | 140.8° | 120.0° |
| C3 | C2 | C13 | N1 | 123.5° | 120.1° |
| C3 | C2 | C13 | H2 | 118.9° | 119.9° |
| C3 | C2 | N1 | H2 | 118.8° | 119.9° |
| C3 | C2 | N1 | C1 | 70.6° | 155.0° |
| C2 | C3 | N2 | HN2 | 0.2° | 0.0° |
| C3 | C2 | C13 | H13 | 25.4° | 60.0° |
| C3 | C2 | C13 | H13A | 145.3° | 60.0° |
| C3 | C2 | C13 | H13B | 94.6° | 179.9° |
| C3 | C2 | N1 | HN1 | 49.5° | 30.9° |
| C13 | C2 | N1 | H2 | 118.8° | 120.0° |
| C13 | C2 | N1 | C1 | 167.1° | 85.0° |
| C2 | C13 | H13 | H13A | 120.0° | 120.0° |
| C2 | C13 | H13 | H13B | 120.0° | 120.1° |
| C2 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C2 | N1 | HN1 | 72.9° | 151.0° |
| C2 | N1 | C1 | HN1 | 120.0° | 124.0° |
| N1 | C2 | C13 | H13 | 148.8° | 60.0° |
| N1 | C2 | C13 | H13A | 91.2° | 180.0° |
| N1 | C2 | C13 | H13B | 28.9° | 60.0° |
| C2 | N1 | C1 | H1 | 142.4° | 180.0° |
| C2 | N1 | C1 | H1A | 22.4° | 59.9° |
| C2 | N1 | C1 | H1B | 97.6° | 60.0° |
| C1 | N1 | C2 | H2 | 48.2° | 35.1° |
| N1 | C1 | H1 | H1A | 120.0° | 120.0° |
| N1 | C1 | H1 | H1B | 120.0° | 120.0° |
| N1 | C1 | H1A | H1B | 120.0° | 120.0° |
| N3 | C9 | C8 | H9 | 120.0° | 118.8° |
| N3 | C9 | C8 | H9A | 121.9° | 118.8° |
| N3 | C9 | C8 | C7 | 30.0° | 37.0° |
| C9 | N3 | C6 | C7 | 6.3° | 1.4° |
| C9 | N3 | C6 | C10 | 121.1° | 118.1° |
| N3 | C9 | H9 | H9A | 122.1° | 122.3° |
| N3 | C9 | C8 | H8 | 90.0° | 81.1° |
| N3 | C9 | C8 | H8A | 152.3° | 155.1° |
| C9 | N3 | C6 | H6 | 119.5° | 120.7° |
| C6 | N3 | C9 | C8 | 14.9° | 24.3° |
| N3 | C6 | C7 | C8 | 25.3° | 21.9° |
| N3 | C6 | C7 | C28 | 151.0° | 140.4° |
| N3 | C6 | C7 | C10 | 121.7° | 119.4° |
| N3 | C6 | C7 | H6 | 119.6° | 119.4° |
| N3 | C6 | C10 | H6 | 120.3° | 121.1° |
| N3 | C6 | C10 | O1 | 146.7° | 18.5° |
| N3 | C6 | C10 | N4 | 33.7° | 161.5° |
| C6 | N3 | C9 | H9 | 134.9° | 143.2° |
| C6 | N3 | C9 | H9A | 106.9° | 94.5° |
| N3 | C6 | C7 | H7 | 94.8° | 96.5° |
| C9 | C8 | C7 | H8 | 120.0° | 118.1° |
| C9 | C8 | C7 | H8A | 122.2° | 118.1° |
| C9 | C8 | C7 | C28 | 160.0° | 153.9° |
| C9 | C8 | C7 | C6 | 34.4° | 35.3° |
| C8 | C9 | H9 | H9A | 122.1° | 122.3° |
| C9 | C8 | H8 | H8A | 122.5° | 123.8° |
| C9 | C8 | C7 | H7 | 85.8° | 83.0° |
| C8 | C7 | C28 | C6 | 121.0° | 113.7° |
| C8 | C7 | C28 | H7 | 119.5° | 123.1° |
| C8 | C7 | C6 | H7 | 120.1° | 118.4° |
| C8 | C7 | C6 | C10 | 147.0° | 141.3° |
| C7 | C8 | C9 | H9 | 150.0° | 155.8° |
| C7 | C8 | C9 | H9A | 91.9° | 81.8° |
| C7 | C8 | H8 | H8A | 122.5° | 123.9° |
| C8 | C7 | C28 | H28 | 97.7° | 61.4° |
| C8 | C7 | C28 | H28A | 142.3° | 178.6° |
| C8 | C7 | C28 | H28B | 22.3° | 58.6° |
| C8 | C7 | C6 | H6 | 94.3° | 97.5° |
| C28 | C7 | C6 | H7 | 114.2° | 123.2° |
| C28 | C7 | C6 | C10 | 87.4° | 100.2° |
| C28 | C7 | C8 | H8 | 40.0° | 35.8° |
| C28 | C7 | C8 | H8A | 77.7° | 88.0° |
| C7 | C28 | H28 | H28A | 120.0° | 120.0° |
| C7 | C28 | H28 | H28B | 120.0° | 120.0° |
| C7 | C28 | H28A | H28B | 120.0° | 120.0° |
| C28 | C7 | C6 | H6 | 31.4° | 20.9° |
| C7 | C6 | C10 | H6 | 125.9° | 121.1° |
| C7 | C6 | C10 | O1 | 99.4° | 99.3° |
| C7 | C6 | C10 | N4 | 80.2° | 80.7° |
| C6 | C7 | C8 | H8 | 85.6° | 82.8° |
| C6 | C7 | C8 | H8A | 156.6° | 153.4° |
| C6 | C7 | C28 | H28 | 141.3° | 175.1° |
| C6 | C7 | C28 | H28A | 21.3° | 64.9° |
| C6 | C7 | C28 | H28B | 98.7° | 55.1° |
| C6 | C10 | O1 | N4 | 179.5° | 180.0° |
| C6 | C10 | N4 | C11 | 177.4° | 173.7° |
| C10 | C6 | C7 | H7 | 26.8° | 23.0° |
| C6 | C10 | N4 | HN4 | 2.6° | 6.3° |
| O1 | C10 | N4 | C11 | 2.1° | 6.3° |
| O1 | C10 | C6 | H6 | 26.5° | 139.6° |
| O1 | C10 | N4 | HN4 | 177.9° | 173.8° |
| C10 | N4 | C11 | HN4 | 180.0° | 180.0° |
| C10 | N4 | C11 | C27 | 34.3° | 34.4° |
| C10 | N4 | C11 | C19 | 143.0° | 145.3° |
| N4 | C10 | C6 | H6 | 154.0° | 40.4° |
| N4 | C11 | C27 | C19 | 177.3° | 179.7° |
| N4 | C11 | C27 | C26 | 178.3° | 180.0° |
| N4 | C11 | C19 | C24 | 178.4° | 179.7° |
| N4 | C11 | C19 | C20 | 2.8° | 0.1° |
| N4 | C11 | C27 | H27 | 1.7° | 0.1° |
| C11 | C27 | C26 | H27 | 180.0° | 180.0° |
| C11 | C27 | C26 | C25 | 0.2° | 0.0° |
| C27 | C11 | C19 | C24 | 1.0° | 0.6° |
| C27 | C11 | C19 | C20 | 179.9° | 179.8° |
| C27 | C11 | N4 | HN4 | 145.7° | 145.6° |
| C11 | C27 | C26 | H26 | 179.8° | 180.0° |
| C19 | C11 | C27 | C26 | 1.0° | 0.3° |
| C11 | C19 | C24 | C25 | 0.4° | 0.6° |
| C11 | C19 | C24 | C20 | 178.9° | 179.6° |
| C11 | C19 | C20 | N6 | 152.5° | 177.4° |
| C11 | C19 | C20 | N5 | 29.3° | 2.2° |
| C19 | C11 | N4 | HN4 | 37.0° | 34.7° |
| C19 | C11 | C27 | H27 | 179.0° | 179.7° |
| C11 | C19 | C24 | H24 | 179.6° | 179.7° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.5° | 0.0° |
| C27 | C26 | C25 | H25 | 179.5° | 180.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C19 | 0.4° | 0.3° |
| C25 | C26 | C27 | H27 | 179.8° | 179.9° |
| C26 | C25 | C24 | H24 | 179.6° | 180.0° |
| C25 | C24 | C19 | H24 | 180.0° | 179.7° |
| C25 | C24 | C19 | C20 | 179.2° | 179.8° |
| C24 | C25 | C26 | H26 | 179.5° | 180.0° |
| C24 | C19 | C20 | N6 | 28.7° | 3.0° |
| C24 | C19 | C20 | N5 | 149.6° | 177.3° |
| C19 | C24 | C25 | H25 | 179.6° | 179.7° |
| C19 | C20 | N6 | N5 | 178.3° | 179.6° |
| C19 | C20 | N6 | C23 | 179.3° | 180.0° |
| C19 | C20 | N5 | C21 | 179.2° | 179.8° |
| C20 | C19 | C24 | H24 | 0.7° | 0.1° |
| C20 | N6 | C23 | C22 | 0.6° | 0.1° |
| N6 | C20 | N5 | C21 | 1.0° | 0.6° |
| C20 | N6 | C23 | H23 | 179.4° | 179.9° |
| N5 | C20 | N6 | C23 | 1.0° | 0.3° |
| C20 | N5 | C21 | C22 | 0.6° | 0.6° |
| C20 | N5 | C21 | H21 | 179.5° | 179.7° |
| N6 | C23 | C22 | H23 | 180.0° | 180.0° |
| N6 | C23 | C22 | C21 | 0.2° | 0.0° |
| N6 | C23 | C22 | H22 | 179.8° | 179.9° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | N5 | 0.2° | 0.3° |
| C23 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C21 | N5 | H21 | 180.0° | 179.7° |
| C21 | C22 | C23 | H23 | 179.8° | 179.9° |
| N5 | C21 | C22 | H22 | 179.8° | 179.8° |
| H4 | C4 | C12 | H12 | 67.4° | 178.7° |
| H4 | C4 | N2 | HN2 | 159.7° | 144.9° |
| H12 | C12 | C18 | H18 | 178.0° | 179.9° |
| H12 | C12 | C18 | H18A | 57.1° | 60.0° |
| H12 | C12 | C14 | H14 | 62.0° | 59.9° |
| H12 | C12 | C14 | H14A | 177.7° | 179.9° |
| H18 | C18 | C17 | H17 | 52.5° | 59.9° |
| H18 | C18 | C17 | H17A | 173.6° | 179.9° |
| H18A | C18 | C17 | H17 | 68.4° | 60.1° |
| H18A | C18 | C17 | H17A | 52.7° | 60.0° |
| H17 | C17 | C16 | H16 | 52.9° | 59.9° |
| H17 | C17 | C16 | H16A | 68.0° | 60.0° |
| H17A | C17 | C16 | H16 | 174.0° | 180.0° |
| H17A | C17 | C16 | H16A | 53.2° | 60.1° |
| H16 | C16 | C15 | H15 | 55.9° | 60.0° |
| H16 | C16 | C15 | H15A | 176.5° | 180.0° |
| H16A | C16 | C15 | H15 | 64.9° | 60.0° |
| H16A | C16 | C15 | H15A | 55.7° | 60.0° |
| H15 | C15 | C14 | H14 | 61.6° | 60.0° |
| H15 | C15 | C14 | H14A | 58.7° | 60.0° |
| H15A | C15 | C14 | H14 | 59.0° | 60.0° |
| H15A | C15 | C14 | H14A | 179.3° | 180.0° |
| H2 | C2 | C13 | H13 | 93.5° | 180.0° |
| H2 | C2 | C13 | H13A | 26.4° | 60.0° |
| H2 | C2 | C13 | H13B | 146.5° | 60.0° |
| H2 | C2 | N1 | HN1 | 168.3° | 89.0° |
| H13 | C13 | H13A | H13B | 119.9° | 119.9° |
| HN1 | N1 | C1 | H1 | 97.6° | 56.0° |
| HN1 | N1 | C1 | H1A | 142.4° | 176.0° |
| HN1 | N1 | C1 | H1B | 22.4° | 64.0° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| H9 | C9 | C8 | H8 | 30.0° | 37.8° |
| H9 | C9 | C8 | H8A | 87.7° | 86.0° |
| H9A | C9 | C8 | H8 | 148.1° | 160.1° |
| H9A | C9 | C8 | H8A | 30.4° | 36.3° |
| H8 | C8 | C7 | H7 | 154.2° | 158.9° |
| H8A | C8 | C7 | H7 | 36.4° | 35.0° |
| H7 | C7 | C28 | H28 | 21.7° | 61.7° |
| H7 | C7 | C28 | H28A | 98.2° | 58.3° |
| H7 | C7 | C28 | H28B | 141.8° | 178.3° |
| H7 | C7 | C6 | H6 | 145.6° | 144.1° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H27 | C27 | C26 | H26 | 0.2° | 0.0° |
| H26 | C26 | C25 | H25 | 0.5° | 0.0° |
| H25 | C25 | C24 | H24 | 0.4° | 0.0° |
| H23 | C23 | C22 | H22 | 0.2° | 0.0° |
| H22 | C22 | C21 | H21 | 0.2° | 0.1° |
