A1I4I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | N5 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C17 | N5 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| N6 | C18 | sing | 1.47Å | 1.46Å | |
| N6 | C22 | sing | 1.47Å | 1.47Å | |
| N5 | C14 | sing | 1.40Å | 1.39Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | C25 | sing | 1.53Å | 1.49Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| S1 | C9 | sing | 1.76Å | 1.74Å | Aromatic |
| S1 | C10 | sing | 1.71Å | 1.71Å | Aromatic |
| C16 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.48Å | |
| C7 | C9 | sing | 1.48Å | 1.46Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| C9 | N3 | doub | 1.31Å | 1.29Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.48Å | |
| C10 | N2 | doub | 1.29Å | 1.29Å | Aromatic |
| C11 | C26 | sing | 1.53Å | 1.54Å | |
| C11 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | O1 | sing | 1.43Å | 1.45Å | |
| N3 | N2 | sing | 1.26Å | 1.39Å | Aromatic |
| C27 | O1 | sing | 1.43Å | 1.46Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| N6 | H28 | sing | 1.01Å | 1.00Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | N5 | 104.7° | 109.6° |
| C21 | C20 | C19 | 112.5° | 109.3° |
| C21 | C20 | H24 | 108.7° | 109.5° |
| C21 | C20 | H25 | 108.7° | 109.6° |
| C20 | C21 | H26 | 110.7° | 109.5° |
| C20 | C21 | H27 | 110.7° | 109.4° |
| C21 | N5 | C17 | 109.7° | 111.1° |
| C21 | N5 | C14 | 124.9° | 111.0° |
| N5 | C21 | H26 | 110.7° | 109.5° |
| N5 | C21 | H27 | 110.6° | 109.4° |
| C20 | C19 | C18 | 112.8° | 109.2° |
| C20 | C19 | H22 | 108.6° | 109.5° |
| C20 | C19 | H23 | 108.7° | 109.6° |
| C19 | C20 | H24 | 108.7° | 109.5° |
| C19 | C20 | H25 | 108.7° | 109.5° |
| C19 | C18 | C17 | 109.0° | 109.3° |
| C19 | C18 | N6 | 113.2° | 109.5° |
| C19 | C18 | H21 | 107.2° | 109.5° |
| C18 | C19 | H22 | 108.7° | 109.5° |
| C18 | C19 | H23 | 108.6° | 109.5° |
| C1 | C2 | C3 | 60.9° | 60.0° |
| C2 | C1 | C3 | 60.6° | 60.0° |
| C2 | C1 | H2 | 119.9° | 117.5° |
| C2 | C1 | H3 | 119.9° | 117.5° |
| C1 | C2 | H4 | 119.9° | 117.5° |
| C1 | C2 | H5 | 119.9° | 117.5° |
| C2 | C3 | C1 | 58.5° | 60.0° |
| C2 | C3 | C4 | 126.1° | 117.5° |
| C3 | C2 | H4 | 119.9° | 117.5° |
| C3 | C2 | H5 | 119.9° | 117.5° |
| C2 | C3 | H6 | 113.4° | 117.5° |
| N5 | C17 | C18 | 107.5° | 109.6° |
| C17 | N5 | C14 | 123.5° | 111.1° |
| N5 | C17 | H19 | 110.0° | 109.4° |
| N5 | C17 | H20 | 110.0° | 109.4° |
| C17 | C18 | N6 | 111.7° | 109.5° |
| C18 | C17 | H19 | 110.0° | 109.5° |
| C18 | C17 | H20 | 110.0° | 109.5° |
| C17 | C18 | H21 | 107.2° | 109.5° |
| C18 | N6 | C22 | 119.2° | 111.0° |
| N6 | C18 | H21 | 108.2° | 109.5° |
| C18 | N6 | H28 | 106.9° | 111.0° |
| N6 | C22 | C23 | 109.9° | 109.5° |
| N6 | C22 | H11 | 109.4° | 109.5° |
| N6 | C22 | H12 | 109.4° | 109.4° |
| C22 | N6 | H28 | 107.0° | 111.0° |
| N5 | C14 | C13 | 121.8° | 120.5° |
| N5 | C14 | C15 | 120.7° | 120.5° |
| C22 | C23 | C24 | 119.7° | 117.5° |
| C22 | C23 | C25 | 117.1° | 117.5° |
| C23 | C22 | H11 | 109.4° | 109.5° |
| C23 | C22 | H12 | 109.4° | 109.5° |
| C22 | C23 | H13 | 116.0° | 115.5° |
| C24 | C23 | C25 | 60.1° | 60.0° |
| C23 | C24 | C25 | 59.9° | 60.0° |
| C24 | C23 | H13 | 116.2° | 117.5° |
| C23 | C24 | H14 | 120.0° | 117.5° |
| C23 | C24 | H15 | 120.0° | 117.5° |
| C23 | C25 | C24 | 60.0° | 60.0° |
| C25 | C23 | H13 | 116.2° | 117.5° |
| C23 | C25 | H30 | 120.0° | 117.5° |
| C23 | C25 | H31 | 120.0° | 117.5° |
| C1 | C3 | C4 | 120.6° | 117.5° |
| C3 | C1 | H2 | 119.9° | 117.5° |
| C3 | C1 | H3 | 119.9° | 117.5° |
| C1 | C3 | H6 | 113.3° | 117.5° |
| C25 | C24 | H14 | 120.0° | 117.5° |
| C25 | C24 | H15 | 120.0° | 117.5° |
| C24 | C25 | H30 | 120.0° | 117.6° |
| C24 | C25 | H31 | 120.0° | 117.5° |
| C3 | C4 | C8 | 126.0° | 120.3° |
| C3 | C4 | C5 | 116.6° | 120.4° |
| C4 | C3 | H6 | 113.7° | 115.6° |
| C13 | C14 | C15 | 117.5° | 119.0° |
| C14 | C13 | N4 | 121.5° | 120.6° |
| C14 | C13 | H1 | 119.3° | 119.7° |
| C14 | C15 | C16 | 120.5° | 118.4° |
| C14 | C15 | H9 | 119.8° | 120.8° |
| C13 | N4 | C12 | 120.3° | 121.8° |
| N4 | C13 | H1 | 119.2° | 119.6° |
| C15 | C16 | C12 | 118.7° | 119.2° |
| C16 | C15 | H9 | 119.8° | 120.8° |
| C15 | C16 | H10 | 120.7° | 120.3° |
| C8 | C4 | C5 | 117.3° | 119.3° |
| C4 | C8 | C7 | 119.6° | 118.3° |
| C4 | C8 | H18 | 120.2° | 120.8° |
| C4 | C5 | N1 | 123.9° | 121.1° |
| C4 | C5 | H7 | 118.1° | 119.4° |
| N4 | C12 | C16 | 121.5° | 121.0° |
| N4 | C12 | C11 | 117.4° | 119.5° |
| C8 | C7 | C9 | 122.1° | 120.6° |
| C8 | C7 | C6 | 118.3° | 118.9° |
| C7 | C8 | H18 | 120.2° | 120.9° |
| C5 | N1 | C6 | 118.1° | 121.8° |
| N1 | C5 | H7 | 118.1° | 119.4° |
| C9 | S1 | C10 | 88.9° | 89.4° |
| S1 | C9 | C7 | 124.8° | 126.2° |
| S1 | C9 | N3 | 112.4° | 107.6° |
| S1 | C10 | C11 | 125.2° | 125.5° |
| S1 | C10 | N2 | 112.1° | 108.9° |
| C16 | C12 | C11 | 121.0° | 119.5° |
| C12 | C16 | H10 | 120.6° | 120.4° |
| C12 | C11 | C10 | 109.2° | 113.6° |
| C12 | C11 | C26 | 117.5° | 114.6° |
| C12 | C11 | C27 | 117.0° | 114.6° |
| C9 | C7 | C6 | 119.6° | 120.6° |
| C7 | C9 | N3 | 122.8° | 126.2° |
| C7 | C6 | N1 | 122.7° | 120.6° |
| C7 | C6 | H8 | 118.7° | 119.7° |
| N1 | C6 | H8 | 118.7° | 119.7° |
| C9 | N3 | N2 | 111.9° | 116.2° |
| C11 | C10 | N2 | 122.7° | 125.6° |
| C10 | C11 | C26 | 111.4° | 114.5° |
| C10 | C11 | C27 | 114.8° | 114.6° |
| C10 | N2 | N3 | 114.7° | 117.9° |
| C26 | C11 | C27 | 85.5° | 81.2° |
| C11 | C26 | O1 | 90.6° | 88.4° |
| C11 | C26 | H32 | 114.0° | 113.4° |
| C11 | C26 | H33 | 114.0° | 113.4° |
| C11 | C27 | O1 | 90.9° | 88.5° |
| C11 | C27 | H16 | 113.9° | 113.4° |
| C11 | C27 | H17 | 113.9° | 113.4° |
| C26 | O1 | C27 | 91.4° | 88.3° |
| O1 | C26 | H32 | 114.0° | 113.4° |
| O1 | C26 | H33 | 114.0° | 113.4° |
| O1 | C27 | H16 | 113.9° | 113.4° |
| O1 | C27 | H17 | 113.9° | 113.3° |
| H2 | C1 | H3 | 109.5° | 115.6° |
| H4 | C2 | H5 | 109.4° | 115.6° |
| H11 | C22 | H12 | 109.4° | 109.5° |
| H14 | C24 | H15 | 109.4° | 115.5° |
| H16 | C27 | H17 | 109.5° | 112.7° |
| H19 | C17 | H20 | 109.4° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 115.5° |
| H32 | C26 | H33 | 109.5° | 112.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | N5 | H26 | 119.3° | 120.1° |
| C20 | C21 | N5 | H27 | 119.2° | 120.0° |
| C21 | C20 | C19 | H24 | 120.5° | 119.9° |
| C21 | C20 | C19 | H25 | 120.5° | 120.0° |
| C21 | C20 | C19 | C18 | 48.3° | 57.6° |
| C20 | C21 | N5 | C17 | 71.0° | 61.7° |
| C20 | C21 | N5 | C14 | 93.6° | 174.2° |
| C21 | C20 | C19 | H22 | 168.8° | 177.5° |
| C21 | C20 | C19 | H23 | 72.2° | 62.3° |
| C21 | C20 | H24 | H25 | 118.6° | 120.1° |
| C20 | C21 | H26 | H27 | 122.2° | 120.0° |
| N5 | C21 | C20 | C19 | 57.4° | 59.2° |
| C21 | N5 | C17 | C14 | 164.9° | 124.1° |
| C21 | N5 | C17 | C18 | 72.8° | 61.7° |
| C21 | N5 | C14 | C13 | 16.6° | 124.2° |
| C21 | N5 | C14 | C15 | 162.6° | 55.9° |
| C21 | N5 | C17 | H19 | 46.9° | 178.2° |
| C21 | N5 | C17 | H20 | 167.5° | 58.4° |
| N5 | C21 | C20 | H24 | 63.0° | 60.7° |
| N5 | C21 | C20 | H25 | 177.9° | 179.2° |
| N5 | C21 | H26 | H27 | 122.2° | 119.9° |
| C20 | C19 | C18 | H22 | 120.5° | 119.9° |
| C20 | C19 | C18 | H23 | 120.5° | 120.0° |
| C20 | C19 | C18 | C17 | 46.5° | 57.6° |
| C20 | C19 | C18 | N6 | 171.4° | 62.3° |
| C20 | C19 | C18 | H21 | 69.3° | 177.6° |
| C20 | C19 | H22 | H23 | 118.5° | 120.2° |
| C19 | C20 | H24 | H25 | 118.6° | 120.1° |
| C19 | C20 | C21 | H26 | 61.8° | 60.9° |
| C19 | C20 | C21 | H27 | 176.7° | 179.2° |
| C19 | C18 | C17 | N5 | 57.2° | 59.2° |
| C19 | C18 | C17 | N6 | 125.8° | 120.0° |
| C19 | C18 | C17 | H21 | 115.8° | 119.9° |
| C19 | C18 | N6 | H21 | 118.7° | 120.1° |
| C19 | C18 | N6 | C22 | 59.8° | 85.2° |
| C19 | C18 | C17 | H19 | 62.5° | 179.2° |
| C19 | C18 | C17 | H20 | 176.9° | 60.9° |
| C18 | C19 | H22 | H23 | 118.5° | 120.1° |
| C18 | C19 | C20 | H24 | 72.2° | 62.3° |
| C18 | C19 | C20 | H25 | 168.7° | 177.6° |
| C19 | C18 | N6 | H28 | 61.6° | 38.8° |
| C1 | C2 | C3 | H4 | 109.8° | 107.5° |
| C1 | C2 | C3 | H5 | 109.7° | 107.4° |
| C2 | C1 | C3 | H2 | 109.6° | 107.5° |
| C2 | C1 | C3 | H3 | 109.7° | 107.5° |
| C1 | C2 | C3 | C4 | 107.0° | 107.5° |
| C2 | C1 | H2 | H3 | 144.4° | 145.7° |
| C1 | C2 | H4 | H5 | 144.3° | 145.7° |
| C1 | C2 | C3 | H6 | 103.9° | 107.4° |
| C2 | C3 | C4 | H6 | 149.0° | 145.7° |
| C2 | C3 | C4 | C8 | 33.0° | 171.4° |
| C2 | C3 | C4 | C5 | 149.5° | 8.4° |
| C3 | C2 | H4 | H5 | 144.2° | 145.7° |
| N5 | C17 | C18 | H19 | 119.7° | 120.0° |
| N5 | C17 | C18 | H20 | 119.7° | 120.0° |
| N5 | C17 | C18 | N6 | 177.0° | 60.8° |
| C17 | N5 | C14 | C13 | 179.2° | 0.0° |
| C17 | N5 | C14 | C15 | 0.0° | 179.9° |
| N5 | C17 | H19 | H20 | 120.9° | 119.9° |
| N5 | C17 | C18 | H21 | 58.6° | 179.1° |
| C17 | N5 | C21 | H26 | 48.2° | 58.4° |
| C17 | N5 | C21 | H27 | 169.7° | 178.3° |
| C17 | C18 | N6 | H21 | 117.8° | 120.1° |
| C17 | C18 | N6 | C22 | 176.7° | 155.0° |
| C18 | C17 | N5 | C14 | 92.0° | 174.2° |
| C18 | C17 | H19 | H20 | 120.9° | 120.0° |
| C17 | C18 | C19 | H22 | 167.0° | 177.5° |
| C17 | C18 | C19 | H23 | 74.1° | 62.4° |
| C17 | C18 | N6 | H28 | 61.9° | 81.0° |
| C18 | N6 | C22 | H28 | 121.4° | 124.0° |
| C18 | N6 | C22 | C23 | 168.1° | 180.0° |
| C18 | N6 | C22 | H11 | 48.0° | 60.0° |
| C18 | N6 | C22 | H12 | 71.8° | 60.0° |
| N6 | C18 | C17 | H19 | 63.3° | 59.2° |
| N6 | C18 | C17 | H20 | 57.2° | 179.2° |
| N6 | C18 | C19 | H22 | 68.1° | 57.6° |
| N6 | C18 | C19 | H23 | 50.9° | 177.7° |
| N6 | C22 | C23 | H11 | 120.1° | 120.0° |
| N6 | C22 | C23 | H12 | 120.1° | 120.0° |
| N6 | C22 | C23 | C24 | 164.4° | 175.0° |
| N6 | C22 | C23 | C25 | 95.0° | 116.4° |
| N6 | C22 | H11 | H12 | 119.8° | 120.0° |
| N6 | C22 | C23 | H13 | 48.1° | 29.3° |
| C22 | N6 | C18 | H21 | 58.9° | 34.9° |
| N5 | C14 | C13 | C15 | 179.2° | 179.9° |
| N5 | C14 | C13 | N4 | 179.0° | 180.0° |
| N5 | C14 | C15 | C16 | 178.2° | 180.0° |
| N5 | C14 | C13 | H1 | 1.0° | 0.3° |
| N5 | C14 | C15 | H9 | 1.8° | 0.1° |
| C14 | N5 | C17 | H19 | 148.3° | 54.1° |
| C14 | N5 | C17 | H20 | 27.7° | 65.7° |
| C14 | N5 | C21 | H26 | 147.2° | 65.8° |
| C14 | N5 | C21 | H27 | 25.7° | 54.2° |
| C22 | C23 | C24 | C25 | 106.0° | 107.5° |
| C22 | C23 | C24 | H13 | 147.5° | 145.0° |
| C22 | C23 | C25 | H13 | 143.1° | 145.0° |
| C23 | C22 | H11 | H12 | 119.8° | 120.0° |
| C22 | C23 | C24 | H14 | 3.4° | 0.0° |
| C22 | C23 | C24 | H15 | 144.5° | 145.0° |
| C23 | C22 | N6 | H28 | 70.5° | 56.1° |
| C22 | C23 | C25 | H30 | 140.1° | 145.0° |
| C22 | C23 | C25 | H31 | 0.9° | 0.0° |
| C24 | C23 | C25 | H13 | 106.6° | 107.5° |
| C23 | C24 | C25 | H14 | 109.5° | 107.5° |
| C23 | C24 | C25 | H15 | 109.4° | 107.5° |
| C24 | C23 | C22 | H11 | 44.3° | 55.0° |
| C24 | C23 | C22 | H12 | 75.5° | 65.0° |
| C23 | C24 | H14 | H15 | 144.8° | 145.7° |
| C24 | C23 | C25 | H30 | 109.5° | 107.6° |
| C24 | C23 | C25 | H31 | 109.5° | 107.5° |
| C25 | C23 | C22 | H11 | 25.1° | 123.6° |
| C25 | C23 | C22 | H12 | 144.9° | 3.6° |
| C23 | C25 | H30 | H31 | 144.7° | 145.6° |
| C1 | C3 | C4 | H6 | 139.7° | 145.7° |
| C1 | C3 | C4 | C8 | 38.4° | 120.0° |
| C1 | C3 | C4 | C5 | 139.1° | 60.2° |
| C3 | C1 | H2 | H3 | 144.4° | 145.7° |
| C25 | C24 | H14 | H15 | 144.8° | 145.7° |
| C24 | C25 | H30 | H31 | 144.7° | 145.7° |
| C3 | C4 | C8 | C5 | 177.5° | 179.8° |
| C3 | C4 | C8 | C7 | 179.9° | 180.0° |
| C3 | C4 | C5 | N1 | 177.7° | 180.0° |
| C4 | C3 | C1 | H2 | 134.2° | 145.1° |
| C4 | C3 | C1 | H3 | 6.5° | 0.0° |
| C4 | C3 | C2 | H4 | 2.8° | 0.0° |
| C4 | C3 | C2 | H5 | 143.3° | 145.0° |
| C3 | C4 | C5 | H7 | 2.4° | 0.0° |
| C3 | C4 | C8 | H18 | 0.2° | 0.1° |
| C14 | C13 | N4 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 1.1° | 0.1° |
| C14 | C13 | N4 | C12 | 1.0° | 0.1° |
| C13 | C14 | C15 | H9 | 179.0° | 180.0° |
| C15 | C14 | C13 | N4 | 0.3° | 0.1° |
| C14 | C15 | C16 | H9 | 180.0° | 179.9° |
| C14 | C15 | C16 | C12 | 2.5° | 0.1° |
| C15 | C14 | C13 | H1 | 179.7° | 179.8° |
| C14 | C15 | C16 | H10 | 177.5° | 180.0° |
| C13 | N4 | C12 | C16 | 2.6° | 0.1° |
| C13 | N4 | C12 | C11 | 179.8° | 180.0° |
| C15 | C16 | C12 | N4 | 3.3° | 0.1° |
| C15 | C16 | C12 | H10 | 180.0° | 179.9° |
| C15 | C16 | C12 | C11 | 179.1° | 180.0° |
| C4 | C8 | C7 | H18 | 180.0° | 179.9° |
| C8 | C4 | C5 | N1 | 0.1° | 0.3° |
| C4 | C8 | C7 | C9 | 177.5° | 180.0° |
| C4 | C8 | C7 | C6 | 5.2° | 0.0° |
| C8 | C4 | C3 | H6 | 178.0° | 25.8° |
| C8 | C4 | C5 | H7 | 179.9° | 179.8° |
| C5 | C4 | C8 | C7 | 2.4° | 0.2° |
| C4 | C5 | N1 | H7 | 180.0° | 179.9° |
| C4 | C5 | N1 | C6 | 0.5° | 0.1° |
| C5 | C4 | C3 | H6 | 0.5° | 154.0° |
| C5 | C4 | C8 | H18 | 177.6° | 179.7° |
| N4 | C12 | C16 | C11 | 177.6° | 180.0° |
| N4 | C12 | C11 | C10 | 83.5° | 144.7° |
| N4 | C12 | C11 | C26 | 44.5° | 10.4° |
| N4 | C12 | C11 | C27 | 144.0° | 81.0° |
| C12 | N4 | C13 | H1 | 179.0° | 179.7° |
| N4 | C12 | C16 | H10 | 176.7° | 180.0° |
| C8 | C7 | C9 | S1 | 11.9° | 179.7° |
| C8 | C7 | C9 | C6 | 177.3° | 180.0° |
| C8 | C7 | C6 | N1 | 5.9° | 0.2° |
| C8 | C7 | C9 | N3 | 168.4° | 0.0° |
| C8 | C7 | C6 | H8 | 174.1° | 179.9° |
| C5 | N1 | C6 | C7 | 3.5° | 0.2° |
| C5 | N1 | C6 | H8 | 176.5° | 180.0° |
| S1 | C9 | C7 | N3 | 179.7° | 179.7° |
| S1 | C9 | C7 | C6 | 170.8° | 0.3° |
| C9 | S1 | C10 | C11 | 179.7° | 180.0° |
| C9 | S1 | C10 | N2 | 0.1° | 0.0° |
| S1 | C9 | N3 | N2 | 2.0° | 0.5° |
| S1 | C10 | C11 | C12 | 38.5° | 14.2° |
| C10 | S1 | C9 | C7 | 179.2° | 180.0° |
| C10 | S1 | C9 | N3 | 1.1° | 0.3° |
| S1 | C10 | C11 | N2 | 179.8° | 180.0° |
| S1 | C10 | C11 | C26 | 92.9° | 120.0° |
| S1 | C10 | C11 | C27 | 172.1° | 148.6° |
| S1 | C10 | N2 | N3 | 1.3° | 0.3° |
| C16 | C12 | C11 | C10 | 98.8° | 35.3° |
| C16 | C12 | C11 | C26 | 133.1° | 169.5° |
| C16 | C12 | C11 | C27 | 33.6° | 99.0° |
| C12 | C16 | C15 | H9 | 177.5° | 180.0° |
| C12 | C11 | C10 | C26 | 131.4° | 134.3° |
| C12 | C11 | C10 | C27 | 133.6° | 134.3° |
| C12 | C11 | C10 | N2 | 141.2° | 165.7° |
| C12 | C11 | C26 | C27 | 118.1° | 113.1° |
| C12 | C11 | C26 | O1 | 127.7° | 139.6° |
| C12 | C11 | C27 | O1 | 128.2° | 139.6° |
| C11 | C12 | C16 | H10 | 0.9° | 0.1° |
| C12 | C11 | C27 | H16 | 11.4° | 24.6° |
| C12 | C11 | C27 | H17 | 115.1° | 105.6° |
| C12 | C11 | C26 | H32 | 115.6° | 105.5° |
| C12 | C11 | C26 | H33 | 11.0° | 24.7° |
| C9 | C7 | C6 | N1 | 176.7° | 179.8° |
| C7 | C9 | N3 | N2 | 178.4° | 179.8° |
| C9 | C7 | C6 | H8 | 3.3° | 0.1° |
| C9 | C7 | C8 | H18 | 2.5° | 0.0° |
| C7 | C6 | N1 | H8 | 180.0° | 179.8° |
| C6 | C7 | C9 | N3 | 8.9° | 180.0° |
| C6 | C7 | C8 | H18 | 174.8° | 180.0° |
| C6 | N1 | C5 | H7 | 179.5° | 180.0° |
| C9 | N3 | N2 | C10 | 2.1° | 0.5° |
| C10 | C11 | C26 | C27 | 114.9° | 113.1° |
| C10 | C11 | C26 | O1 | 105.3° | 86.6° |
| C11 | C10 | N2 | N3 | 178.5° | 179.7° |
| C10 | C11 | C27 | O1 | 102.0° | 86.6° |
| C10 | C11 | C27 | H16 | 141.3° | 158.5° |
| C10 | C11 | C27 | H17 | 14.7° | 28.3° |
| C10 | C11 | C26 | H32 | 11.4° | 28.3° |
| C10 | C11 | C26 | H33 | 138.0° | 158.5° |
| N2 | C10 | C11 | C26 | 87.3° | 60.0° |
| N2 | C10 | C11 | C27 | 7.7° | 31.4° |
| C11 | C26 | O1 | H32 | 116.7° | 114.9° |
| C11 | C26 | O1 | H33 | 116.7° | 114.9° |
| C26 | C11 | C27 | O1 | 9.5° | 26.5° |
| C26 | C11 | C27 | H16 | 107.2° | 88.5° |
| C26 | C11 | C27 | H17 | 126.3° | 141.3° |
| C11 | C26 | H32 | H33 | 129.0° | 130.5° |
| C11 | C27 | O1 | H16 | 116.7° | 114.9° |
| C11 | C27 | O1 | H17 | 116.7° | 114.9° |
| C11 | C27 | H16 | H17 | 128.8° | 130.6° |
| C27 | C11 | C26 | H32 | 126.3° | 141.4° |
| C27 | C11 | C26 | H33 | 107.1° | 88.4° |
| C26 | O1 | C27 | H16 | 106.6° | 86.7° |
| C26 | O1 | C27 | H17 | 126.8° | 143.1° |
| O1 | C26 | H32 | H33 | 128.9° | 130.5° |
| O1 | C27 | H16 | H17 | 128.8° | 130.5° |
| C27 | O1 | C26 | H32 | 126.7° | 143.1° |
| C27 | O1 | C26 | H33 | 106.7° | 86.7° |
| H2 | C1 | C2 | H4 | 140.7° | 145.0° |
| H2 | C1 | C2 | H5 | 0.1° | 0.0° |
| H2 | C1 | C3 | H6 | 5.6° | 0.1° |
| H3 | C1 | C2 | H4 | 0.1° | 0.0° |
| H3 | C1 | C2 | H5 | 140.6° | 145.0° |
| H3 | C1 | C3 | H6 | 146.3° | 145.1° |
| H4 | C2 | C3 | H6 | 146.3° | 145.0° |
| H5 | C2 | C3 | H6 | 5.8° | 0.0° |
| H9 | C15 | C16 | H10 | 2.5° | 0.1° |
| H11 | C22 | C23 | H13 | 168.2° | 90.7° |
| H11 | C22 | N6 | H28 | 169.4° | 63.9° |
| H12 | C22 | C23 | H13 | 72.0° | 149.3° |
| H12 | C22 | N6 | H28 | 49.6° | 176.1° |
| H13 | C23 | C24 | H14 | 144.0° | 145.0° |
| H13 | C23 | C24 | H15 | 3.0° | 0.0° |
| H13 | C23 | C25 | H30 | 2.9° | 0.1° |
| H13 | C23 | C25 | H31 | 144.0° | 145.0° |
| H14 | C24 | C25 | H30 | 141.0° | 145.0° |
| H14 | C24 | C25 | H31 | 0.0° | 0.0° |
| H15 | C24 | C25 | H30 | 0.1° | 0.0° |
| H15 | C24 | C25 | H31 | 141.1° | 145.0° |
| H19 | C17 | C18 | H21 | 178.3° | 60.9° |
| H20 | C17 | C18 | H21 | 61.2° | 59.1° |
| H21 | C18 | C19 | H22 | 51.2° | 62.5° |
| H21 | C18 | C19 | H23 | 170.1° | 57.6° |
| H21 | C18 | N6 | H28 | 179.8° | 158.8° |
| H22 | C19 | C20 | H24 | 48.3° | 57.6° |
| H22 | C19 | C20 | H25 | 70.7° | 62.5° |
| H23 | C19 | C20 | H24 | 167.3° | 177.8° |
| H23 | C19 | C20 | H25 | 48.3° | 57.7° |
| H24 | C20 | C21 | H26 | 177.7° | 179.2° |
| H24 | C20 | C21 | H27 | 56.2° | 59.3° |
| H25 | C20 | C21 | H26 | 58.6° | 59.1° |
| H25 | C20 | C21 | H27 | 62.9° | 60.9° |
