IXH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N6 | sing | 1.47Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | N1 | sing | 1.47Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N6 | C5 | sing | 1.47Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C8 | C7 | doub | 1.39Å | 1.44Å | Aromatic |
| N1 | C7 | sing | 1.40Å | 1.41Å | |
| C7 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | N5 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N4 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | N5 | sing | 1.38Å | 1.38Å | |
| C13 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | N2 | doub | 1.32Å | 1.37Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.47Å | 1.48Å | |
| C28 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.51Å | |
| C16 | O1 | doub | 1.22Å | 1.23Å | |
| C29 | C17 | sing | 1.47Å | 1.49Å | |
| C18 | C17 | doub | 1.38Å | 1.36Å | |
| C18 | N3 | sing | 1.34Å | 1.41Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | C19 | doub | 1.39Å | 1.45Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.44Å | Aromatic |
| C19 | N3 | sing | 1.40Å | 1.44Å | |
| C21 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C26 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.54Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N3 | C28 | sing | 1.37Å | 1.46Å | |
| C28 | N4 | sing | 1.33Å | 1.36Å | Aromatic |
| O2 | C29 | doub | 1.22Å | 1.23Å | |
| C29 | N7 | sing | 1.35Å | 1.37Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N7 | HN7A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| C1 | C2 | C3 | 110.7° | 109.5° |
| C1 | C2 | N6 | 109.2° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C3 | C2 | N6 | 111.2° | 109.4° |
| C3 | C2 | H2 | 107.4° | 109.5° |
| C2 | C3 | N1 | 108.8° | 109.4° |
| C2 | C3 | H3 | 109.7° | 109.5° |
| C2 | C3 | H3A | 109.9° | 109.5° |
| N6 | C2 | H2 | 108.9° | 109.5° |
| C2 | N6 | C5 | 109.3° | 110.8° |
| C2 | N6 | HN6 | 109.5° | 111.0° |
| N1 | C3 | H3 | 109.7° | 109.5° |
| N1 | C3 | H3A | 109.9° | 109.4° |
| C3 | N1 | C4 | 112.1° | 110.9° |
| C3 | N1 | C7 | 116.0° | 111.0° |
| H3 | C3 | H3A | 108.9° | 109.5° |
| C5 | C4 | N1 | 108.9° | 109.3° |
| C5 | C4 | H4 | 109.7° | 109.5° |
| C5 | C4 | H4A | 109.8° | 109.5° |
| C4 | C5 | C6 | 110.6° | 109.5° |
| C4 | C5 | N6 | 111.3° | 109.4° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| N1 | C4 | H4 | 109.6° | 109.5° |
| N1 | C4 | H4A | 109.8° | 109.5° |
| C4 | N1 | C7 | 112.2° | 111.0° |
| H4 | C4 | H4A | 109.1° | 109.5° |
| C6 | C5 | N6 | 109.2° | 109.4° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| C5 | C6 | H6B | 109.5° | 109.5° |
| N6 | C5 | H5 | 108.8° | 109.6° |
| C5 | N6 | HN6 | 109.5° | 111.0° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.4° |
| C8 | C7 | N1 | 124.6° | 120.0° |
| C8 | C7 | C12 | 116.0° | 120.0° |
| C7 | C8 | C9 | 121.6° | 120.0° |
| C7 | C8 | H8 | 119.2° | 120.0° |
| N1 | C7 | C12 | 119.4° | 120.0° |
| C7 | C12 | C11 | 122.2° | 120.0° |
| C7 | C12 | H12 | 118.9° | 120.0° |
| C9 | C8 | H8 | 119.2° | 120.0° |
| C8 | C9 | C10 | 121.4° | 120.0° |
| C8 | C9 | H9 | 119.3° | 120.0° |
| C10 | C9 | H9 | 119.3° | 120.0° |
| C9 | C10 | N5 | 125.4° | 120.0° |
| C9 | C10 | C11 | 117.2° | 120.0° |
| N5 | C10 | C11 | 117.4° | 120.0° |
| C10 | N5 | C13 | 135.1° | 120.0° |
| C10 | N5 | HN5 | 112.5° | 120.0° |
| C10 | C11 | C12 | 121.5° | 120.0° |
| C10 | C11 | H11 | 119.2° | 120.0° |
| C12 | C11 | H11 | 119.3° | 120.0° |
| C11 | C12 | H12 | 118.9° | 120.0° |
| N4 | C13 | N5 | 115.5° | 118.8° |
| N4 | C13 | N2 | 122.2° | 122.5° |
| C13 | N4 | C28 | 120.5° | 120.4° |
| N5 | C13 | N2 | 122.3° | 118.7° |
| C13 | N5 | HN5 | 112.5° | 120.0° |
| C13 | N2 | C14 | 117.6° | 121.0° |
| C15 | C14 | N2 | 123.5° | 118.4° |
| C15 | C14 | H14 | 118.2° | 120.8° |
| C14 | C15 | C16 | 122.9° | 122.0° |
| C14 | C15 | C28 | 115.8° | 119.1° |
| N2 | C14 | H14 | 118.3° | 120.7° |
| C16 | C15 | C28 | 121.3° | 118.9° |
| C15 | C16 | C17 | 117.8° | 117.0° |
| C15 | C16 | O1 | 119.8° | 121.5° |
| C15 | C28 | N3 | 119.2° | 120.2° |
| C15 | C28 | N4 | 120.4° | 118.5° |
| C17 | C16 | O1 | 122.3° | 121.5° |
| C16 | C17 | C29 | 125.3° | 120.6° |
| C16 | C17 | C18 | 116.6° | 118.9° |
| C29 | C17 | C18 | 118.1° | 120.5° |
| C17 | C29 | O2 | 122.9° | 120.0° |
| C17 | C29 | N7 | 116.4° | 120.0° |
| C17 | C18 | N3 | 126.8° | 122.3° |
| C17 | C18 | H18 | 116.6° | 118.9° |
| N3 | C18 | H18 | 116.6° | 118.8° |
| C18 | N3 | C19 | 119.9° | 118.7° |
| C18 | N3 | C28 | 118.3° | 122.7° |
| C27 | C19 | C20 | 118.4° | 119.8° |
| C27 | C19 | N3 | 119.3° | 120.1° |
| C19 | C27 | C26 | 119.7° | 120.1° |
| C19 | C27 | H27 | 120.1° | 120.0° |
| C20 | C19 | N3 | 122.4° | 120.1° |
| C19 | C20 | C21 | 121.1° | 119.8° |
| C19 | C20 | H20 | 119.5° | 120.1° |
| C19 | N3 | C28 | 121.8° | 118.6° |
| C21 | C20 | H20 | 119.5° | 120.0° |
| C20 | C21 | C22 | 118.9° | 120.3° |
| C20 | C21 | H21 | 120.5° | 119.8° |
| C22 | C21 | H21 | 120.6° | 119.9° |
| C21 | C22 | C23 | 128.3° | 130.3° |
| C21 | C22 | C26 | 121.0° | 120.0° |
| C23 | C22 | C26 | 110.7° | 109.8° |
| C22 | C23 | C24 | 101.6° | 105.2° |
| C22 | C23 | H23 | 112.2° | 110.3° |
| C22 | C23 | H23A | 113.9° | 110.3° |
| C22 | C26 | C25 | 110.9° | 109.7° |
| C22 | C26 | C27 | 120.9° | 119.9° |
| C24 | C23 | H23 | 112.2° | 110.3° |
| C24 | C23 | H23A | 113.8° | 110.4° |
| C23 | C24 | C25 | 107.2° | 102.4° |
| C23 | C24 | H24 | 110.2° | 110.8° |
| C23 | C24 | H24A | 110.7° | 110.9° |
| H23 | C23 | H23A | 103.6° | 110.3° |
| C25 | C24 | H24 | 110.3° | 110.8° |
| C25 | C24 | H24A | 110.8° | 110.8° |
| C24 | C25 | C26 | 101.5° | 105.2° |
| C24 | C25 | H25 | 112.3° | 110.4° |
| C24 | C25 | H25A | 113.9° | 110.3° |
| H24 | C24 | H24A | 107.7° | 110.9° |
| C26 | C25 | H25 | 112.2° | 110.3° |
| C26 | C25 | H25A | 113.9° | 110.3° |
| C25 | C26 | C27 | 128.1° | 130.4° |
| H25 | C25 | H25A | 103.5° | 110.3° |
| C26 | C27 | H27 | 120.1° | 119.9° |
| N3 | C28 | N4 | 120.4° | 121.3° |
| O2 | C29 | N7 | 120.6° | 120.0° |
| C29 | N7 | HN7 | 110.5° | 120.0° |
| C29 | N7 | HN7A | 124.7° | 120.0° |
| HN7 | N7 | HN7A | 124.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | N6 | 121.6° | 119.9° |
| C1 | C2 | C3 | H2 | 119.3° | 120.1° |
| C1 | C2 | N6 | H2 | 119.4° | 120.1° |
| C1 | C2 | C3 | N1 | 179.4° | 178.3° |
| C1 | C2 | C3 | H3 | 60.6° | 61.7° |
| C1 | C2 | C3 | H3A | 59.0° | 58.4° |
| C1 | C2 | N6 | C5 | 179.9° | 179.3° |
| C1 | C2 | N6 | HN6 | 59.9° | 55.4° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 129.6° | 60.1° |
| H1 | C1 | C2 | N6 | 107.7° | 179.9° |
| H1 | C1 | C2 | H2 | 11.5° | 60.0° |
| H1A | C1 | C2 | C3 | 110.4° | 180.0° |
| H1A | C1 | C2 | N6 | 12.3° | 60.1° |
| H1A | C1 | C2 | H2 | 131.5° | 60.0° |
| H1B | C1 | C2 | C3 | 9.6° | 60.0° |
| H1B | C1 | C2 | N6 | 132.3° | 59.9° |
| H1B | C1 | C2 | H2 | 108.6° | 180.0° |
| C3 | C2 | N6 | H2 | 118.1° | 120.0° |
| C2 | C3 | N1 | H3 | 120.0° | 120.0° |
| C2 | C3 | N1 | H3A | 120.3° | 120.0° |
| C2 | C3 | H3 | H3A | 120.3° | 120.1° |
| C2 | C3 | N1 | C4 | 58.9° | 59.3° |
| C3 | C2 | N6 | C5 | 57.4° | 59.4° |
| C2 | C3 | N1 | C7 | 170.4° | 176.8° |
| C3 | C2 | N6 | HN6 | 62.6° | 64.5° |
| N6 | C2 | C3 | N1 | 57.7° | 58.4° |
| N6 | C2 | C3 | H3 | 177.8° | 178.4° |
| N6 | C2 | C3 | H3A | 62.6° | 61.5° |
| C2 | N6 | C5 | C4 | 57.4° | 59.3° |
| C2 | N6 | C5 | C6 | 179.9° | 179.3° |
| C2 | N6 | C5 | HN6 | 120.0° | 123.8° |
| C2 | N6 | C5 | H5 | 60.6° | 60.6° |
| H2 | C2 | C3 | N1 | 61.3° | 61.6° |
| H2 | C2 | C3 | H3 | 58.7° | 58.4° |
| H2 | C2 | C3 | H3A | 178.4° | 178.5° |
| H2 | C2 | N6 | C5 | 60.7° | 60.6° |
| H2 | C2 | N6 | HN6 | 179.3° | 175.5° |
| N1 | C3 | H3 | H3A | 120.3° | 120.0° |
| C3 | N1 | C4 | C5 | 58.9° | 59.3° |
| C3 | N1 | C4 | C7 | 132.6° | 123.9° |
| C3 | N1 | C4 | H4 | 61.1° | 60.6° |
| C3 | N1 | C4 | H4A | 179.2° | 179.3° |
| C3 | N1 | C7 | C8 | 25.9° | 0.3° |
| C3 | N1 | C7 | C12 | 153.9° | 180.0° |
| H3 | C3 | N1 | C4 | 178.9° | 179.3° |
| H3 | C3 | N1 | C7 | 50.4° | 56.8° |
| H3A | C3 | N1 | C4 | 61.4° | 60.7° |
| H3A | C3 | N1 | C7 | 69.3° | 63.2° |
| C5 | C4 | N1 | H4 | 120.0° | 120.0° |
| C5 | C4 | N1 | H4A | 120.2° | 120.0° |
| C5 | C4 | H4 | H4A | 120.3° | 120.0° |
| C4 | C5 | C6 | N6 | 122.9° | 119.8° |
| C4 | C5 | C6 | H5 | 118.1° | 120.0° |
| C4 | C5 | N6 | H5 | 118.1° | 120.0° |
| C4 | C5 | C6 | H6 | 90.0° | 60.0° |
| C4 | C5 | C6 | H6A | 30.0° | 180.0° |
| C4 | C5 | C6 | H6B | 150.1° | 60.0° |
| C5 | C4 | N1 | C7 | 168.5° | 176.8° |
| C4 | C5 | N6 | HN6 | 62.6° | 64.5° |
| N1 | C4 | H4 | H4A | 120.2° | 120.1° |
| N1 | C4 | C5 | C6 | 179.4° | 178.3° |
| N1 | C4 | C5 | N6 | 57.8° | 58.4° |
| N1 | C4 | C5 | H5 | 61.2° | 61.6° |
| C4 | N1 | C7 | C8 | 104.7° | 123.6° |
| C4 | N1 | C7 | C12 | 75.5° | 56.2° |
| H4 | C4 | C5 | C6 | 59.4° | 58.4° |
| H4 | C4 | C5 | N6 | 62.2° | 61.5° |
| H4 | C4 | C5 | H5 | 178.9° | 178.4° |
| H4 | C4 | N1 | C7 | 71.5° | 63.3° |
| H4A | C4 | C5 | C6 | 60.4° | 61.7° |
| H4A | C4 | C5 | N6 | 178.0° | 178.4° |
| H4A | C4 | C5 | H5 | 59.0° | 58.4° |
| H4A | C4 | N1 | C7 | 48.3° | 56.8° |
| C6 | C5 | N6 | H5 | 119.5° | 120.1° |
| C5 | C6 | H6 | H6A | 120.0° | 120.1° |
| C5 | C6 | H6 | H6B | 120.0° | 120.0° |
| C5 | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | C5 | N6 | HN6 | 59.9° | 55.4° |
| N6 | C5 | C6 | H6 | 147.2° | 59.9° |
| N6 | C5 | C6 | H6A | 92.8° | 60.2° |
| N6 | C5 | C6 | H6B | 27.2° | 179.9° |
| H5 | C5 | C6 | H6 | 28.1° | 180.0° |
| H5 | C5 | C6 | H6A | 148.1° | 59.9° |
| H5 | C5 | C6 | H6B | 91.8° | 60.0° |
| H5 | C5 | N6 | HN6 | 179.4° | 175.5° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| C8 | C7 | N1 | C12 | 179.8° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C12 | C11 | 0.1° | 0.0° |
| C8 | C7 | C12 | H12 | 179.9° | 180.0° |
| N1 | C7 | C8 | C9 | 179.8° | 179.7° |
| N1 | C7 | C8 | H8 | 0.2° | 0.3° |
| N1 | C7 | C12 | C11 | 179.9° | 179.7° |
| N1 | C7 | C12 | H12 | 0.1° | 0.2° |
| C12 | C7 | C8 | C9 | 0.1° | 0.1° |
| C12 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C12 | C11 | C10 | 0.1° | 0.0° |
| C7 | C12 | C11 | H12 | 180.0° | 179.9° |
| C7 | C12 | C11 | H11 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | N5 | 179.2° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| H8 | C8 | C9 | C10 | 179.7° | 179.9° |
| H8 | C8 | C9 | H9 | 0.3° | 0.1° |
| C9 | C10 | N5 | C11 | 178.7° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.1° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| C9 | C10 | N5 | C13 | 11.7° | 33.3° |
| C9 | C10 | N5 | HN5 | 168.3° | 146.6° |
| H9 | C9 | C10 | N5 | 0.8° | 0.0° |
| H9 | C9 | C10 | C11 | 179.6° | 180.0° |
| N5 | C10 | C11 | C12 | 179.2° | 180.0° |
| N5 | C10 | C11 | H11 | 0.9° | 0.1° |
| C10 | N5 | C13 | N4 | 4.8° | 175.0° |
| C10 | N5 | C13 | HN5 | 180.0° | 180.0° |
| C10 | N5 | C13 | N2 | 174.1° | 5.3° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C10 | N5 | C13 | 167.0° | 146.6° |
| C11 | C10 | N5 | HN5 | 12.9° | 33.4° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| N4 | C13 | N5 | N2 | 178.9° | 179.7° |
| N4 | C13 | N2 | C14 | 0.1° | 0.3° |
| C13 | N4 | C28 | C15 | 0.1° | 0.0° |
| C13 | N4 | C28 | N3 | 179.8° | 179.5° |
| N4 | C13 | N5 | HN5 | 175.2° | 5.0° |
| N5 | C13 | N2 | C14 | 178.8° | 180.0° |
| N5 | C13 | N4 | C28 | 178.9° | 180.0° |
| C13 | N2 | C14 | C15 | 0.1° | 0.0° |
| C13 | N2 | C14 | H14 | 179.9° | 180.0° |
| N2 | C13 | N4 | C28 | 0.0° | 0.3° |
| N2 | C13 | N5 | HN5 | 5.9° | 174.7° |
| C15 | C14 | N2 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | C28 | 179.7° | 179.8° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C16 | O1 | 0.1° | 0.0° |
| C14 | C15 | C28 | N3 | 179.7° | 179.8° |
| C14 | C15 | C28 | N4 | 0.2° | 0.2° |
| N2 | C14 | C15 | C16 | 180.0° | 180.0° |
| N2 | C14 | C15 | C28 | 0.3° | 0.2° |
| H14 | C14 | C15 | C16 | 0.0° | 0.0° |
| H14 | C14 | C15 | C28 | 179.8° | 179.8° |
| C15 | C16 | C17 | O1 | 179.9° | 180.0° |
| C15 | C16 | C17 | C29 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C28 | N3 | 0.1° | 0.4° |
| C16 | C15 | C28 | N4 | 180.0° | 180.0° |
| C28 | C15 | C16 | C17 | 0.2° | 0.2° |
| C28 | C15 | C16 | O1 | 179.9° | 179.8° |
| C15 | C28 | N3 | C18 | 0.4° | 0.5° |
| C15 | C28 | N3 | C19 | 178.9° | 179.8° |
| C15 | C28 | N3 | N4 | 179.9° | 179.6° |
| C16 | C17 | C29 | C18 | 179.5° | 179.9° |
| C16 | C17 | C18 | N3 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C16 | C17 | C29 | O2 | 180.0° | 174.0° |
| C16 | C17 | C29 | N7 | 0.4° | 6.0° |
| O1 | C16 | C17 | C29 | 0.3° | 0.0° |
| O1 | C16 | C17 | C18 | 179.9° | 180.0° |
| C29 | C17 | C18 | N3 | 179.4° | 179.9° |
| C29 | C17 | C18 | H18 | 0.5° | 0.0° |
| C17 | C29 | O2 | N7 | 179.6° | 180.0° |
| C17 | C29 | N7 | HN7 | 0.2° | 5.2° |
| C17 | C29 | N7 | HN7A | 179.8° | 175.0° |
| C17 | C18 | N3 | H18 | 180.0° | 179.9° |
| C17 | C18 | N3 | C19 | 178.9° | 180.0° |
| C17 | C18 | N3 | C28 | 0.4° | 0.3° |
| C18 | C17 | C29 | O2 | 0.5° | 5.9° |
| C18 | C17 | C29 | N7 | 179.1° | 174.1° |
| C18 | N3 | C19 | C27 | 70.2° | 112.3° |
| C18 | N3 | C19 | C20 | 110.0° | 67.5° |
| C18 | N3 | C19 | C28 | 179.3° | 179.7° |
| C18 | N3 | C28 | N4 | 179.7° | 179.9° |
| H18 | C18 | N3 | C19 | 1.1° | 0.1° |
| H18 | C18 | N3 | C28 | 179.6° | 179.8° |
| C27 | C19 | C20 | N3 | 179.9° | 179.7° |
| C27 | C19 | C20 | C21 | 0.3° | 0.2° |
| C27 | C19 | C20 | H20 | 179.7° | 179.7° |
| C19 | C27 | C26 | C22 | 0.1° | 0.5° |
| C19 | C27 | C26 | C25 | 180.0° | 179.8° |
| C19 | C27 | C26 | H27 | 180.0° | 179.9° |
| C27 | C19 | N3 | C28 | 109.1° | 67.4° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C19 | C27 | C26 | 0.1° | 0.5° |
| C20 | C19 | C27 | H27 | 179.9° | 179.6° |
| C20 | C19 | N3 | C28 | 70.8° | 112.8° |
| N3 | C19 | C20 | C21 | 179.6° | 180.0° |
| N3 | C19 | C20 | H20 | 0.5° | 0.0° |
| N3 | C19 | C27 | C26 | 179.7° | 179.8° |
| N3 | C19 | C27 | H27 | 0.3° | 0.2° |
| C19 | N3 | C28 | N4 | 1.0° | 0.3° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C20 | C21 | C22 | C26 | 0.0° | 0.0° |
| H20 | C20 | C21 | C22 | 179.7° | 180.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.1° |
| C21 | C22 | C23 | C26 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 163.0° | 162.8° |
| C21 | C22 | C23 | H23 | 43.0° | 43.9° |
| C21 | C22 | C23 | H23A | 74.3° | 78.2° |
| C21 | C22 | C26 | C25 | 180.0° | 180.0° |
| C21 | C22 | C26 | C27 | 0.1° | 0.3° |
| H21 | C21 | C22 | C23 | 0.1° | 0.1° |
| H21 | C21 | C22 | C26 | 180.0° | 179.9° |
| C22 | C23 | C24 | H23 | 120.0° | 118.9° |
| C22 | C23 | C24 | H23A | 122.8° | 119.0° |
| C22 | C23 | H23 | H23A | 123.2° | 122.2° |
| C22 | C23 | C24 | C25 | 27.5° | 26.4° |
| C22 | C23 | C24 | H24 | 92.5° | 91.8° |
| C22 | C23 | C24 | H24A | 148.4° | 144.6° |
| C23 | C22 | C26 | C25 | 0.1° | 0.0° |
| C23 | C22 | C26 | C27 | 179.8° | 179.7° |
| C26 | C22 | C23 | C24 | 17.1° | 17.2° |
| C26 | C22 | C23 | H23 | 137.1° | 136.1° |
| C26 | C22 | C23 | H23A | 105.6° | 101.8° |
| C22 | C26 | C25 | C24 | 16.9° | 17.2° |
| C22 | C26 | C25 | C27 | 179.9° | 179.7° |
| C22 | C26 | C25 | H25 | 136.9° | 136.2° |
| C22 | C26 | C25 | H25A | 105.9° | 101.8° |
| C22 | C26 | C27 | H27 | 179.9° | 179.6° |
| C24 | C23 | H23 | H23A | 123.2° | 122.1° |
| C23 | C24 | C25 | H24 | 120.0° | 118.2° |
| C23 | C24 | C25 | H24A | 120.9° | 118.2° |
| C23 | C24 | H24 | H24A | 120.9° | 123.6° |
| C23 | C24 | C25 | C26 | 27.4° | 26.4° |
| C23 | C24 | C25 | H25 | 147.4° | 145.3° |
| C23 | C24 | C25 | H25A | 95.4° | 92.5° |
| H23 | C23 | C24 | C25 | 147.5° | 145.3° |
| H23 | C23 | C24 | H24 | 27.5° | 27.1° |
| H23 | C23 | C24 | H24A | 91.6° | 96.5° |
| H23A | C23 | C24 | C25 | 95.3° | 92.6° |
| H23A | C23 | C24 | H24 | 144.7° | 149.2° |
| H23A | C23 | C24 | H24A | 25.6° | 25.6° |
| C25 | C24 | H24 | H24A | 121.0° | 123.5° |
| C24 | C25 | C26 | H25 | 120.0° | 119.0° |
| C24 | C25 | C26 | H25A | 122.8° | 119.0° |
| C24 | C25 | H25 | H25A | 123.3° | 122.2° |
| C24 | C25 | C26 | C27 | 163.2° | 163.1° |
| H24 | C24 | C25 | C26 | 92.6° | 91.9° |
| H24 | C24 | C25 | H25 | 27.4° | 27.1° |
| H24 | C24 | C25 | H25A | 144.6° | 149.2° |
| H24A | C24 | C25 | C26 | 148.3° | 144.6° |
| H24A | C24 | C25 | H25 | 91.7° | 96.4° |
| H24A | C24 | C25 | H25A | 25.5° | 25.7° |
| C26 | C25 | H25 | H25A | 123.2° | 122.0° |
| C25 | C26 | C27 | H27 | 0.0° | 0.1° |
| H25 | C25 | C26 | C27 | 43.2° | 44.1° |
| H25A | C25 | C26 | C27 | 74.0° | 77.9° |
| O2 | C29 | N7 | HN7 | 179.8° | 174.8° |
| O2 | C29 | N7 | HN7A | 0.2° | 5.0° |
| C29 | N7 | HN7 | HN7A | 180.0° | 179.9° |
