D94
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C3 | sing | 1.38Å | 1.38Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| C3 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.47Å | Aromatic |
| C6 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | C1 | sing | 1.34Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | C5 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C22 | C25 | sing | 1.54Å | 1.56Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.54Å | 1.54Å | |
| C24 | N6 | sing | 1.47Å | 1.50Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | N6 | sing | 1.47Å | 1.48Å | |
| N6 | C29 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | N7 | sing | 1.47Å | 1.51Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| N7 | C28 | sing | 1.47Å | 1.52Å | |
| N7 | C30 | sing | 1.47Å | 1.51Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C6 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.45Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | C12 | doub | 1.34Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.43Å | Aromatic |
| C15 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | N4 | sing | 1.32Å | 1.38Å | Aromatic |
| C16 | C13 | sing | 1.48Å | 1.48Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | 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) |
| C3 | N5 | HN5 | 109.5° | 120.0° |
| C3 | N5 | HN5A | 109.4° | 120.0° |
| N5 | C3 | N1 | 118.7° | 120.3° |
| N5 | C3 | C4 | 121.6° | 120.3° |
| HN5 | N5 | HN5A | 109.4° | 120.0° |
| N1 | C3 | C4 | 119.7° | 119.4° |
| C3 | N1 | C1 | 119.2° | 121.3° |
| C3 | C4 | C6 | 136.6° | 134.6° |
| C3 | C4 | N2 | 118.4° | 119.2° |
| C6 | C4 | N2 | 104.9° | 106.3° |
| C4 | C6 | N3 | 110.0° | 107.0° |
| C4 | C6 | C7 | 131.7° | 126.5° |
| C4 | N2 | C2 | 120.3° | 118.7° |
| C4 | N2 | C5 | 107.8° | 107.2° |
| C2 | N2 | C5 | 131.9° | 134.0° |
| N2 | C2 | C1 | 117.7° | 119.8° |
| N2 | C2 | H2 | 121.2° | 120.1° |
| N2 | C5 | N3 | 110.6° | 109.7° |
| N2 | C5 | C22 | 124.5° | 125.2° |
| C1 | C2 | H2 | 121.2° | 120.1° |
| C2 | C1 | N1 | 124.6° | 121.7° |
| C2 | C1 | H1 | 117.7° | 119.1° |
| N1 | C1 | H1 | 117.7° | 119.2° |
| N3 | C5 | C22 | 124.9° | 125.1° |
| C5 | N3 | C6 | 106.6° | 109.8° |
| C5 | C22 | C23 | 119.2° | 113.6° |
| C5 | C22 | C25 | 112.0° | 113.6° |
| C5 | C22 | H22 | 96.4° | 112.9° |
| C23 | C22 | C25 | 83.8° | 87.1° |
| C23 | C22 | H22 | 120.5° | 113.6° |
| C22 | C23 | C24 | 83.9° | 87.0° |
| C22 | C23 | H23 | 119.0° | 113.6° |
| C22 | C23 | H23A | 123.4° | 113.6° |
| C25 | C22 | H22 | 126.9° | 113.7° |
| C22 | C25 | C24 | 84.2° | 87.1° |
| C22 | C25 | H25 | 119.0° | 113.5° |
| C22 | C25 | H25A | 123.3° | 113.6° |
| C24 | C23 | H23 | 119.1° | 113.6° |
| C24 | C23 | H23A | 123.4° | 113.6° |
| C23 | C24 | C25 | 84.2° | 87.1° |
| C23 | C24 | N6 | 116.0° | 113.6° |
| C23 | C24 | H24 | 125.9° | 113.6° |
| H23 | C23 | H23A | 91.5° | 112.9° |
| C25 | C24 | N6 | 121.7° | 113.6° |
| C25 | C24 | H24 | 120.6° | 113.7° |
| C24 | C25 | H25 | 119.0° | 113.6° |
| C24 | C25 | H25A | 123.3° | 113.7° |
| N6 | C24 | H24 | 91.8° | 112.9° |
| C24 | N6 | C26 | 117.6° | 111.0° |
| C24 | N6 | C29 | 113.5° | 110.9° |
| C26 | N6 | C29 | 111.9° | 110.9° |
| N6 | C26 | C27 | 112.6° | 109.4° |
| N6 | C26 | H26 | 108.4° | 109.5° |
| N6 | C26 | H26A | 107.7° | 109.5° |
| N6 | C29 | C28 | 111.8° | 109.3° |
| N6 | C29 | H29 | 108.7° | 109.5° |
| N6 | C29 | H29A | 108.2° | 109.5° |
| C27 | C26 | H26 | 108.4° | 109.5° |
| C27 | C26 | H26A | 107.7° | 109.5° |
| C26 | C27 | N7 | 109.4° | 109.4° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.5° |
| H26 | C26 | H26A | 112.0° | 109.5° |
| N7 | C27 | H27 | 109.5° | 109.5° |
| N7 | C27 | H27A | 109.5° | 109.5° |
| C27 | N7 | C28 | 113.4° | 110.9° |
| C27 | N7 | C30 | 110.5° | 111.0° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| C28 | N7 | C30 | 113.3° | 111.0° |
| N7 | C28 | C29 | 112.0° | 109.4° |
| N7 | C28 | H28 | 108.6° | 109.5° |
| N7 | C28 | H28A | 108.1° | 109.5° |
| N7 | C30 | H30 | 109.5° | 109.5° |
| N7 | C30 | H30A | 109.5° | 109.5° |
| N7 | C30 | H30B | 109.4° | 109.5° |
| H30 | C30 | H30A | 109.5° | 109.4° |
| H30 | C30 | H30B | 109.5° | 109.4° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| C29 | C28 | H28 | 108.6° | 109.5° |
| C29 | C28 | H28A | 108.1° | 109.5° |
| C28 | C29 | H29 | 108.7° | 109.5° |
| C28 | C29 | H29A | 108.2° | 109.5° |
| H28 | C28 | H28A | 111.5° | 109.5° |
| H29 | C29 | H29A | 111.3° | 109.6° |
| H25 | C25 | H25A | 91.6° | 112.9° |
| N3 | C6 | C7 | 117.8° | 126.5° |
| C6 | C7 | C8 | 124.3° | 119.7° |
| C6 | C7 | C10 | 116.3° | 119.7° |
| C8 | C7 | C10 | 118.6° | 120.6° |
| C7 | C8 | C12 | 121.3° | 119.6° |
| C7 | C8 | H8 | 119.4° | 120.2° |
| C7 | C10 | C9 | 122.0° | 120.7° |
| C7 | C10 | H10 | 119.0° | 119.6° |
| C12 | C8 | H8 | 119.3° | 120.2° |
| C8 | C12 | N4 | 119.5° | 120.8° |
| C8 | C12 | C11 | 118.4° | 119.2° |
| N4 | C12 | C11 | 122.1° | 120.0° |
| C12 | N4 | C13 | 118.9° | 121.3° |
| C12 | C11 | C15 | 118.1° | 119.1° |
| C12 | C11 | C9 | 120.8° | 119.9° |
| C15 | C11 | C9 | 121.2° | 121.0° |
| C11 | C15 | C14 | 119.7° | 118.3° |
| C11 | C15 | H15 | 120.1° | 120.8° |
| C11 | C9 | C10 | 118.6° | 120.0° |
| C11 | C9 | H9 | 120.7° | 120.0° |
| C10 | C9 | H9 | 120.7° | 120.0° |
| C9 | C10 | H10 | 119.0° | 119.6° |
| N4 | C13 | C16 | 116.4° | 119.3° |
| N4 | C13 | C14 | 121.6° | 121.4° |
| C16 | C13 | C14 | 121.9° | 119.3° |
| C13 | C16 | C21 | 119.4° | 120.1° |
| C13 | C16 | C17 | 123.6° | 120.2° |
| C13 | C14 | C15 | 119.6° | 119.9° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C15 | C14 | H14 | 120.2° | 120.1° |
| C14 | C15 | H15 | 120.1° | 120.9° |
| C21 | C16 | C17 | 116.9° | 119.7° |
| C16 | C21 | C20 | 122.3° | 119.9° |
| C16 | C21 | H21 | 118.8° | 120.0° |
| C16 | C17 | C18 | 121.1° | 119.9° |
| C16 | C17 | H17 | 119.5° | 120.1° |
| C18 | C17 | H17 | 119.4° | 120.1° |
| C17 | C18 | C19 | 120.2° | 120.2° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | C20 | 119.9° | 120.2° |
| C18 | C19 | H19 | 120.1° | 119.9° |
| C20 | C19 | H19 | 120.1° | 119.9° |
| C19 | C20 | C21 | 119.5° | 120.2° |
| C19 | C20 | H20 | 120.2° | 119.9° |
| C21 | C20 | H20 | 120.2° | 119.9° |
| C20 | C21 | H21 | 118.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N5 | HN5 | HN5A | 120.0° | 179.7° |
| N5 | C3 | N1 | C4 | 178.9° | 179.7° |
| N5 | C3 | C4 | C6 | 2.0° | 0.1° |
| N5 | C3 | C4 | N2 | 179.3° | 180.0° |
| N5 | C3 | N1 | C1 | 179.7° | 179.8° |
| HN5 | N5 | C3 | N1 | 85.8° | 21.1° |
| HN5 | N5 | C3 | C4 | 95.3° | 158.5° |
| HN5A | N5 | C3 | N1 | 154.2° | 159.1° |
| HN5A | N5 | C3 | C4 | 24.7° | 21.2° |
| N1 | C3 | C4 | C6 | 179.1° | 179.8° |
| N1 | C3 | C4 | N2 | 0.4° | 0.3° |
| C3 | N1 | C1 | C2 | 0.8° | 0.5° |
| C3 | N1 | C1 | H1 | 179.2° | 179.7° |
| C3 | C4 | C6 | N2 | 178.9° | 180.0° |
| C3 | C4 | N2 | C2 | 0.1° | 0.0° |
| C3 | C4 | N2 | C5 | 179.6° | 179.9° |
| C4 | C3 | N1 | C1 | 0.8° | 0.5° |
| C3 | C4 | C6 | N3 | 180.0° | 179.9° |
| C3 | C4 | C6 | C7 | 8.2° | 0.0° |
| C6 | C4 | N2 | C2 | 179.0° | 180.0° |
| C6 | C4 | N2 | C5 | 0.5° | 0.0° |
| C4 | C6 | N3 | C5 | 1.3° | 0.0° |
| C4 | C6 | N3 | C7 | 173.1° | 179.9° |
| C4 | C6 | C7 | C8 | 144.5° | 46.1° |
| C4 | C6 | C7 | C10 | 45.6° | 134.2° |
| C4 | N2 | C2 | C5 | 179.4° | 180.0° |
| C4 | N2 | C2 | C1 | 0.1° | 0.0° |
| C4 | N2 | C2 | H2 | 179.9° | 180.0° |
| C4 | N2 | C5 | N3 | 0.3° | 0.0° |
| C4 | N2 | C5 | C22 | 179.8° | 180.0° |
| N2 | C4 | C6 | N3 | 1.1° | 0.0° |
| N2 | C4 | C6 | C7 | 172.9° | 180.0° |
| N2 | C2 | C1 | H2 | 180.0° | 180.0° |
| N2 | C2 | C1 | N1 | 0.3° | 0.2° |
| N2 | C2 | C1 | H1 | 179.7° | 180.0° |
| C2 | N2 | C5 | N3 | 179.8° | 180.0° |
| C2 | N2 | C5 | C22 | 0.8° | 0.0° |
| C5 | N2 | C2 | C1 | 179.6° | 180.0° |
| C5 | N2 | C2 | H2 | 0.4° | 0.0° |
| N2 | C5 | N3 | C22 | 179.5° | 180.0° |
| N2 | C5 | C22 | C23 | 177.6° | 120.0° |
| N2 | C5 | C22 | C25 | 87.1° | 142.6° |
| N2 | C5 | C22 | H22 | 47.2° | 11.2° |
| N2 | C5 | N3 | C6 | 1.0° | 0.0° |
| C2 | C1 | N1 | H1 | 180.0° | 179.8° |
| H2 | C2 | C1 | N1 | 179.7° | 179.8° |
| H2 | C2 | C1 | H1 | 0.3° | 0.0° |
| N3 | C5 | C22 | C23 | 3.0° | 60.0° |
| N3 | C5 | C22 | C25 | 92.3° | 37.5° |
| N3 | C5 | C22 | H22 | 133.4° | 168.8° |
| C5 | N3 | C6 | C7 | 174.4° | 180.0° |
| C5 | C22 | C23 | C25 | 111.8° | 114.5° |
| C5 | C22 | C23 | H22 | 118.6° | 130.8° |
| C5 | C22 | C25 | H22 | 117.1° | 130.9° |
| C5 | C22 | C23 | C24 | 147.3° | 140.0° |
| C5 | C22 | C23 | H23 | 27.3° | 25.5° |
| C5 | C22 | C23 | H23A | 86.3° | 105.5° |
| C5 | C22 | C25 | C24 | 154.9° | 140.0° |
| C5 | C22 | C25 | H25 | 85.2° | 105.5° |
| C5 | C22 | C25 | H25A | 28.5° | 25.4° |
| C22 | C5 | N3 | C6 | 179.5° | 180.0° |
| C23 | C22 | C25 | H22 | 123.9° | 114.5° |
| C22 | C23 | C24 | H23 | 120.0° | 114.5° |
| C22 | C23 | C24 | H23A | 126.4° | 114.5° |
| C22 | C23 | H23 | H23A | 130.1° | 131.2° |
| C23 | C22 | C25 | C24 | 35.8° | 25.5° |
| C22 | C23 | C24 | N6 | 158.5° | 140.0° |
| C22 | C23 | C24 | H24 | 88.1° | 89.2° |
| C23 | C22 | C25 | H25 | 155.8° | 140.0° |
| C23 | C22 | C25 | H25A | 90.5° | 89.1° |
| C25 | C22 | C23 | H23 | 84.5° | 89.1° |
| C25 | C22 | C23 | H23A | 161.9° | 140.0° |
| C22 | C25 | C24 | H25 | 120.0° | 114.5° |
| C22 | C25 | C24 | H25A | 126.3° | 114.5° |
| C22 | C25 | C24 | N6 | 152.9° | 140.0° |
| C22 | C25 | C24 | H24 | 92.9° | 89.1° |
| C22 | C25 | H25 | H25A | 130.0° | 131.2° |
| H22 | C22 | C23 | C24 | 94.0° | 89.2° |
| H22 | C22 | C23 | H23 | 146.0° | 156.3° |
| H22 | C22 | C23 | H23A | 32.3° | 25.4° |
| H22 | C22 | C25 | C24 | 88.1° | 89.1° |
| H22 | C22 | C25 | H25 | 31.9° | 25.5° |
| H22 | C22 | C25 | H25A | 145.6° | 156.3° |
| C24 | C23 | H23 | H23A | 130.1° | 131.3° |
| C23 | C24 | C25 | N6 | 117.1° | 114.5° |
| C23 | C24 | C25 | H24 | 128.7° | 114.6° |
| C23 | C24 | N6 | H24 | 132.0° | 131.2° |
| C23 | C24 | N6 | C26 | 20.6° | 167.2° |
| C23 | C24 | N6 | C29 | 112.8° | 69.1° |
| C23 | C24 | C25 | H25 | 155.8° | 140.0° |
| C23 | C24 | C25 | H25A | 90.6° | 89.0° |
| H23 | C23 | C24 | C25 | 84.1° | 89.0° |
| H23 | C23 | C24 | N6 | 38.5° | 25.4° |
| H23 | C23 | C24 | H24 | 152.0° | 156.3° |
| H23A | C23 | C24 | C25 | 162.3° | 140.0° |
| H23A | C23 | C24 | N6 | 75.1° | 105.5° |
| H23A | C23 | C24 | H24 | 38.3° | 25.3° |
| C25 | C24 | N6 | H24 | 128.2° | 131.4° |
| C25 | C24 | N6 | C26 | 120.3° | 69.7° |
| C25 | C24 | N6 | C29 | 13.1° | 166.5° |
| C24 | C25 | H25 | H25A | 130.0° | 131.3° |
| C24 | N6 | C26 | C29 | 134.1° | 123.8° |
| C24 | N6 | C26 | C27 | 167.7° | 176.8° |
| C24 | N6 | C26 | H26 | 72.3° | 63.1° |
| C24 | N6 | C26 | H26A | 49.1° | 56.9° |
| C24 | N6 | C29 | C28 | 169.2° | 176.8° |
| C24 | N6 | C29 | H29 | 49.2° | 56.9° |
| C24 | N6 | C29 | H29A | 71.8° | 63.2° |
| N6 | C24 | C25 | H25 | 87.2° | 105.6° |
| N6 | C24 | C25 | H25A | 26.5° | 25.4° |
| H24 | C24 | N6 | C26 | 111.4° | 61.6° |
| H24 | C24 | N6 | C29 | 115.2° | 62.1° |
| H24 | C24 | C25 | H25 | 27.1° | 25.4° |
| H24 | C24 | C25 | H25A | 140.7° | 156.4° |
| N6 | C26 | C27 | H26 | 120.0° | 120.0° |
| N6 | C26 | C27 | H26A | 118.6° | 119.9° |
| N6 | C26 | H26 | H26A | 118.7° | 120.0° |
| N6 | C26 | C27 | N7 | 55.6° | 58.4° |
| N6 | C26 | C27 | H27 | 175.6° | 178.4° |
| N6 | C26 | C27 | H27A | 64.4° | 61.6° |
| C26 | N6 | C29 | C28 | 54.7° | 59.3° |
| C26 | N6 | C29 | H29 | 174.7° | 179.3° |
| C26 | N6 | C29 | H29A | 64.3° | 60.6° |
| C29 | N6 | C26 | C27 | 58.2° | 59.4° |
| C29 | N6 | C26 | H26 | 61.8° | 60.6° |
| C29 | N6 | C26 | H26A | 176.8° | 179.3° |
| N6 | C29 | C28 | N7 | 50.6° | 58.4° |
| N6 | C29 | C28 | H29 | 120.0° | 120.0° |
| N6 | C29 | C28 | H29A | 119.0° | 119.9° |
| N6 | C29 | C28 | H28 | 170.6° | 178.4° |
| N6 | C29 | C28 | H28A | 68.3° | 61.5° |
| N6 | C29 | H29 | H29A | 119.1° | 120.1° |
| C27 | C26 | H26 | H26A | 118.7° | 120.1° |
| C26 | C27 | N7 | H27 | 120.0° | 120.0° |
| C26 | C27 | N7 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 120.0° | 120.1° |
| C26 | C27 | N7 | C28 | 51.7° | 59.3° |
| C26 | C27 | N7 | C30 | 179.8° | 176.8° |
| H26 | C26 | C27 | N7 | 64.4° | 61.5° |
| H26 | C26 | C27 | H27 | 55.6° | 58.4° |
| H26 | C26 | C27 | H27A | 175.6° | 178.5° |
| H26A | C26 | C27 | N7 | 174.2° | 178.4° |
| H26A | C26 | C27 | H27 | 65.8° | 61.7° |
| H26A | C26 | C27 | H27A | 54.2° | 58.4° |
| N7 | C27 | H27 | H27A | 120.0° | 120.0° |
| C27 | N7 | C28 | C30 | 127.0° | 123.9° |
| C27 | N7 | C30 | H30 | 117.1° | 60.0° |
| C27 | N7 | C30 | H30A | 122.9° | 180.0° |
| C27 | N7 | C30 | H30B | 2.9° | 60.0° |
| C27 | N7 | C28 | C29 | 50.3° | 59.3° |
| C27 | N7 | C28 | H28 | 170.3° | 179.3° |
| C27 | N7 | C28 | H28A | 68.7° | 60.6° |
| H27 | C27 | N7 | C28 | 171.7° | 179.3° |
| H27 | C27 | N7 | C30 | 59.8° | 56.8° |
| H27A | C27 | N7 | C28 | 68.3° | 60.7° |
| H27A | C27 | N7 | C30 | 60.1° | 63.2° |
| C28 | N7 | C30 | H30 | 11.4° | 63.8° |
| C28 | N7 | C30 | H30A | 108.6° | 56.2° |
| C28 | N7 | C30 | H30B | 131.4° | 176.2° |
| N7 | C28 | C29 | H28 | 120.0° | 120.0° |
| N7 | C28 | C29 | H28A | 118.9° | 119.9° |
| N7 | C28 | H28 | H28A | 119.0° | 120.1° |
| N7 | C28 | C29 | H29 | 170.6° | 178.4° |
| N7 | C28 | C29 | H29A | 68.4° | 61.5° |
| N7 | C30 | H30 | H30A | 120.0° | 120.0° |
| N7 | C30 | H30 | H30B | 120.0° | 120.0° |
| N7 | C30 | H30A | H30B | 120.0° | 120.0° |
| C30 | N7 | C28 | C29 | 177.3° | 176.8° |
| C30 | N7 | C28 | H28 | 62.7° | 56.8° |
| C30 | N7 | C28 | H28A | 58.4° | 63.3° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| C29 | C28 | H28 | H28A | 119.0° | 120.1° |
| C28 | C29 | H29 | H29A | 119.1° | 120.1° |
| H28 | C28 | C29 | H29 | 69.4° | 61.7° |
| H28 | C28 | C29 | H29A | 51.6° | 58.4° |
| H28A | C28 | C29 | H29 | 51.7° | 58.4° |
| H28A | C28 | C29 | H29A | 172.6° | 178.5° |
| N3 | C6 | C7 | C8 | 44.2° | 134.0° |
| N3 | C6 | C7 | C10 | 125.6° | 45.7° |
| C6 | C7 | C8 | C10 | 169.6° | 179.7° |
| C6 | C7 | C8 | C12 | 175.6° | 180.0° |
| C6 | C7 | C8 | H8 | 4.4° | 0.0° |
| C6 | C7 | C10 | C9 | 176.1° | 179.8° |
| C6 | C7 | C10 | H10 | 3.9° | 0.3° |
| C7 | C8 | C12 | H8 | 180.0° | 180.0° |
| C7 | C8 | C12 | N4 | 177.0° | 180.0° |
| C7 | C8 | C12 | C11 | 3.4° | 0.0° |
| C8 | C7 | C10 | C9 | 5.7° | 0.5° |
| C8 | C7 | C10 | H10 | 174.4° | 180.0° |
| C10 | C7 | C8 | C12 | 6.0° | 0.2° |
| C10 | C7 | C8 | H8 | 174.1° | 179.7° |
| C7 | C10 | C9 | C11 | 2.7° | 0.5° |
| C7 | C10 | C9 | H10 | 180.0° | 179.5° |
| C7 | C10 | C9 | H9 | 177.2° | 179.7° |
| C8 | C12 | N4 | C11 | 179.7° | 180.0° |
| C8 | C12 | C11 | C15 | 179.7° | 180.0° |
| C8 | C12 | C11 | C9 | 0.3° | 0.0° |
| C8 | C12 | N4 | C13 | 178.7° | 180.0° |
| H8 | C8 | C12 | N4 | 3.0° | 0.1° |
| H8 | C8 | C12 | C11 | 176.7° | 180.0° |
| N4 | C12 | C11 | C15 | 0.0° | 0.1° |
| N4 | C12 | C11 | C9 | 180.0° | 180.0° |
| C12 | N4 | C13 | C16 | 178.4° | 180.0° |
| C12 | N4 | C13 | C14 | 1.4° | 0.0° |
| C12 | C11 | C15 | C9 | 180.0° | 180.0° |
| C12 | C11 | C9 | C10 | 0.0° | 0.3° |
| C12 | C11 | C9 | H9 | 180.0° | 180.0° |
| C11 | C12 | N4 | C13 | 0.9° | 0.0° |
| C12 | C11 | C15 | C14 | 0.5° | 0.1° |
| C12 | C11 | C15 | H15 | 179.5° | 180.0° |
| C15 | C11 | C9 | C10 | 180.0° | 179.7° |
| C15 | C11 | C9 | H9 | 0.0° | 0.0° |
| C11 | C15 | C14 | C13 | 0.1° | 0.1° |
| C11 | C15 | C14 | H15 | 180.0° | 179.9° |
| C11 | C15 | C14 | H14 | 179.9° | 180.0° |
| C11 | C9 | C10 | H9 | 180.0° | 179.7° |
| C11 | C9 | C10 | H10 | 177.3° | 180.0° |
| C9 | C11 | C15 | C14 | 179.5° | 179.9° |
| C9 | C11 | C15 | H15 | 0.5° | 0.0° |
| H9 | C9 | C10 | H10 | 2.7° | 0.2° |
| N4 | C13 | C16 | C14 | 177.0° | 179.9° |
| N4 | C13 | C14 | C15 | 0.9° | 0.1° |
| N4 | C13 | C14 | H14 | 179.1° | 180.0° |
| N4 | C13 | C16 | C21 | 44.6° | 179.8° |
| N4 | C13 | C16 | C17 | 138.0° | 0.0° |
| C16 | C13 | C14 | C15 | 177.7° | 179.9° |
| C16 | C13 | C14 | H14 | 2.3° | 0.1° |
| C13 | C16 | C21 | C17 | 177.6° | 179.8° |
| C13 | C16 | C17 | C18 | 178.3° | 180.0° |
| C13 | C16 | C17 | H17 | 1.7° | 0.0° |
| C13 | C16 | C21 | C20 | 179.2° | 179.7° |
| C13 | C16 | C21 | H21 | 0.8° | 0.2° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C16 | C21 | 132.4° | 0.3° |
| C14 | C13 | C16 | C17 | 45.0° | 179.9° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| C21 | C16 | C17 | C18 | 0.8° | 0.2° |
| C21 | C16 | C17 | H17 | 179.1° | 179.8° |
| C16 | C21 | C20 | C19 | 1.8° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.5° |
| C16 | C21 | C20 | H20 | 178.2° | 179.8° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C16 | C21 | C20 | 1.6° | 0.5° |
| C17 | C16 | C21 | H21 | 178.3° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| H17 | C17 | C18 | C19 | 179.8° | 180.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.0° | 0.2° |
| C18 | C19 | C20 | H20 | 179.0° | 179.9° |
| H18 | C18 | C19 | C20 | 179.7° | 180.0° |
| H18 | C18 | C19 | H19 | 0.3° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 178.2° | 180.0° |
| H19 | C19 | C20 | C21 | 179.0° | 179.7° |
| H19 | C19 | C20 | H20 | 1.0° | 0.0° |
| H20 | C20 | C21 | H21 | 1.8° | 0.3° |
