LJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | N7 | sing | 1.47Å | 1.45Å | |
| C8 | N4 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | S15 | sing | 1.66Å | 1.67Å | |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | N7 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| N7 | S32 | sing | 1.66Å | 1.66Å | |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | S15 | sing | 1.76Å | 1.79Å | |
| C16 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| S15 | O24 | doub | 1.42Å | 1.44Å | |
| S15 | O23 | doub | 1.42Å | 1.43Å | |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N22 | sing | 1.40Å | 1.41Å | |
| S32 | O41 | doub | 1.42Å | 1.45Å | |
| S32 | O40 | doub | 1.42Å | 1.45Å | |
| S32 | C33 | sing | 1.76Å | 1.78Å | |
| C33 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | N39 | sing | 1.40Å | 1.41Å | |
| C36 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| N22 | HN2A | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| N39 | HN39 | sing | 0.97Å | 1.00Å | |
| N39 | HN3A | sing | 0.97Å | 1.00Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N1 | C2 | 110.9° | 111.0° |
| N1 | C5 | C6 | 115.1° | 109.5° |
| C5 | N1 | HN1 | 109.0° | 111.0° |
| N1 | C5 | H5 | 107.6° | 109.5° |
| N1 | C5 | H5A | 106.3° | 109.5° |
| N1 | C2 | C3 | 111.9° | 109.5° |
| C2 | N1 | HN1 | 109.0° | 111.0° |
| N1 | C2 | H2 | 108.7° | 109.5° |
| N1 | C2 | H2A | 108.1° | 109.5° |
| C5 | C6 | N7 | 117.2° | 109.5° |
| C6 | C5 | H5 | 107.6° | 109.5° |
| C6 | C5 | H5A | 106.3° | 109.5° |
| C5 | C6 | H6 | 107.0° | 109.5° |
| C5 | C6 | H6A | 105.2° | 109.5° |
| C6 | N7 | C25 | 126.3° | 120.0° |
| C6 | N7 | S32 | 118.3° | 120.0° |
| N7 | C6 | H6 | 106.9° | 109.4° |
| N7 | C6 | H6A | 105.2° | 109.4° |
| N4 | C8 | C9 | 113.2° | 109.5° |
| C8 | N4 | C3 | 124.1° | 120.0° |
| C8 | N4 | S15 | 116.3° | 120.0° |
| N4 | C8 | H8 | 108.2° | 109.5° |
| N4 | C8 | H8A | 107.4° | 109.5° |
| C8 | C9 | C10 | 120.7° | 120.0° |
| C8 | C9 | C14 | 120.1° | 120.0° |
| C9 | C8 | H8 | 108.3° | 109.5° |
| C9 | C8 | H8A | 107.4° | 109.5° |
| C9 | C10 | C11 | 120.4° | 120.0° |
| C10 | C9 | C14 | 119.2° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | H11 | 119.9° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C13 | C14 | C9 | 120.6° | 120.0° |
| C14 | C13 | H13 | 120.1° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.1° |
| C18 | C17 | C16 | 118.1° | 120.1° |
| C17 | C18 | C19 | 118.9° | 119.9° |
| C18 | C17 | H17 | 120.9° | 120.0° |
| C17 | C18 | H18 | 120.6° | 120.1° |
| C17 | C16 | S15 | 119.6° | 119.9° |
| C17 | C16 | C21 | 123.4° | 120.1° |
| C16 | C17 | H17 | 121.0° | 119.9° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C28 | C27 | C26 | 120.7° | 120.0° |
| C27 | C28 | H28 | 119.8° | 120.0° |
| C28 | C27 | H27 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.2° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C28 | C29 | H29 | 120.4° | 120.0° |
| C2 | C3 | N4 | 117.0° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.4° |
| C3 | C2 | H2A | 108.2° | 109.5° |
| C2 | C3 | H3 | 107.1° | 109.5° |
| C2 | C3 | H3A | 105.3° | 109.5° |
| C3 | N4 | S15 | 119.6° | 120.0° |
| N4 | C3 | H3 | 107.0° | 109.4° |
| N4 | C3 | H3A | 105.3° | 109.5° |
| N4 | S15 | C16 | 96.8° | 107.2° |
| N4 | S15 | O24 | 109.5° | 106.5° |
| N4 | S15 | O23 | 107.4° | 106.4° |
| C27 | C26 | C31 | 117.9° | 120.0° |
| C27 | C26 | C25 | 123.2° | 120.0° |
| C26 | C27 | H27 | 119.6° | 120.0° |
| C30 | C31 | C26 | 121.7° | 120.0° |
| C31 | C30 | C29 | 119.6° | 120.0° |
| C30 | C31 | H31 | 119.2° | 120.0° |
| C31 | C30 | H30 | 120.2° | 120.0° |
| C31 | C26 | C25 | 118.9° | 120.0° |
| C26 | C31 | H31 | 119.2° | 120.0° |
| C29 | C30 | H30 | 120.2° | 120.0° |
| C30 | C29 | H29 | 120.4° | 120.0° |
| N7 | C25 | C26 | 121.6° | 109.4° |
| C25 | N7 | S32 | 115.4° | 120.0° |
| N7 | C25 | H25 | 105.6° | 109.4° |
| N7 | C25 | H25A | 102.8° | 109.5° |
| C26 | C25 | H25 | 105.6° | 109.4° |
| C26 | C25 | H25A | 102.8° | 109.5° |
| N7 | S32 | O41 | 109.3° | 106.4° |
| N7 | S32 | O40 | 104.5° | 106.4° |
| N7 | S32 | C33 | 103.6° | 107.2° |
| C18 | C19 | C20 | 121.9° | 119.8° |
| C18 | C19 | N22 | 120.6° | 120.1° |
| C19 | C18 | H18 | 120.6° | 120.0° |
| S15 | C16 | C21 | 116.9° | 119.9° |
| C16 | S15 | O24 | 108.4° | 106.4° |
| C16 | S15 | O23 | 107.9° | 106.4° |
| C16 | C21 | C20 | 117.9° | 120.0° |
| C16 | C21 | H21 | 121.0° | 120.0° |
| C9 | C14 | H14 | 119.7° | 120.0° |
| C12 | C11 | H11 | 119.9° | 120.0° |
| C11 | C12 | H12 | 120.1° | 119.9° |
| O24 | S15 | O23 | 123.6° | 123.1° |
| C21 | C20 | C19 | 119.6° | 120.0° |
| C20 | C21 | H21 | 121.0° | 120.0° |
| C21 | C20 | H20 | 120.2° | 120.0° |
| C20 | C19 | N22 | 117.5° | 120.0° |
| C19 | C20 | H20 | 120.2° | 120.1° |
| C19 | N22 | HN22 | 109.5° | 119.9° |
| C19 | N22 | HN2A | 109.4° | 120.0° |
| O41 | S32 | O40 | 119.5° | 123.1° |
| O41 | S32 | C33 | 109.2° | 106.4° |
| O40 | S32 | C33 | 109.5° | 106.4° |
| S32 | C33 | C38 | 119.6° | 119.9° |
| S32 | C33 | C34 | 120.3° | 119.9° |
| C38 | C33 | C34 | 120.0° | 120.2° |
| C33 | C38 | C37 | 119.7° | 120.1° |
| C33 | C38 | H38 | 120.1° | 120.0° |
| C33 | C34 | C35 | 120.0° | 120.1° |
| C33 | C34 | H34 | 120.0° | 119.9° |
| C38 | C37 | C36 | 120.5° | 119.9° |
| C37 | C38 | H38 | 120.2° | 120.0° |
| C38 | C37 | H37 | 119.8° | 120.1° |
| C37 | C36 | N39 | 118.7° | 120.1° |
| C37 | C36 | C35 | 119.8° | 119.8° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| N39 | C36 | C35 | 121.5° | 120.1° |
| C36 | N39 | HN39 | 109.5° | 120.0° |
| C36 | N39 | HN3A | 109.5° | 120.0° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C35 | C34 | H34 | 120.0° | 120.0° |
| H5 | C5 | H5A | 114.0° | 109.5° |
| H6 | C6 | H6A | 115.8° | 109.5° |
| H8 | C8 | H8A | 112.4° | 109.4° |
| H2 | C2 | H2A | 111.4° | 109.5° |
| H3 | C3 | H3A | 115.5° | 109.5° |
| H25 | C25 | H25A | 119.5° | 109.5° |
| HN22 | N22 | HN2A | 109.5° | 120.0° |
| HN39 | N39 | HN3A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N1 | C2 | HN1 | 120.0° | 123.9° |
| N1 | C5 | C6 | H5 | 120.0° | 120.0° |
| N1 | C5 | C6 | H5A | 117.5° | 120.0° |
| N1 | C5 | C6 | N7 | 76.1° | 180.0° |
| C5 | N1 | C2 | C3 | 166.1° | 180.0° |
| N1 | C5 | H5 | H5A | 117.7° | 120.0° |
| N1 | C5 | C6 | H6 | 163.9° | 60.0° |
| N1 | C5 | C6 | H6A | 40.3° | 60.0° |
| C5 | N1 | C2 | H2 | 74.0° | 60.0° |
| C5 | N1 | C2 | H2A | 47.1° | 60.0° |
| C2 | N1 | C5 | C6 | 137.5° | 180.0° |
| N1 | C2 | C3 | H2 | 120.0° | 120.0° |
| N1 | C2 | C3 | H2A | 119.0° | 120.0° |
| N1 | C2 | C3 | N4 | 99.4° | 180.0° |
| C2 | N1 | C5 | H5 | 17.5° | 60.0° |
| C2 | N1 | C5 | H5A | 105.1° | 60.0° |
| N1 | C2 | H2 | H2A | 119.0° | 120.1° |
| N1 | C2 | C3 | H3 | 20.7° | 60.0° |
| N1 | C2 | C3 | H3A | 144.1° | 60.0° |
| C5 | C6 | N7 | H6 | 120.0° | 120.0° |
| C5 | C6 | N7 | H6A | 116.4° | 120.0° |
| C5 | C6 | N7 | C25 | 137.5° | 85.0° |
| C5 | C6 | N7 | S32 | 43.7° | 95.0° |
| C6 | C5 | N1 | HN1 | 17.4° | 56.0° |
| C6 | C5 | H5 | H5A | 117.7° | 120.0° |
| C5 | C6 | H6 | H6A | 116.8° | 120.1° |
| C6 | N7 | C25 | S32 | 178.8° | 179.9° |
| C6 | N7 | C25 | C26 | 20.0° | 85.1° |
| C6 | N7 | S32 | O41 | 55.8° | 156.5° |
| C6 | N7 | S32 | O40 | 175.1° | 23.6° |
| C6 | N7 | S32 | C33 | 60.5° | 89.9° |
| N7 | C6 | C5 | H5 | 43.9° | 60.0° |
| N7 | C6 | C5 | H5A | 166.5° | 60.0° |
| N7 | C6 | H6 | H6A | 116.8° | 119.9° |
| C6 | N7 | C25 | H25 | 140.0° | 155.0° |
| C6 | N7 | C25 | H25A | 93.9° | 35.0° |
| N4 | C8 | C9 | H8 | 120.0° | 120.0° |
| N4 | C8 | C9 | H8A | 118.4° | 120.0° |
| N4 | C8 | C9 | C10 | 113.1° | 95.9° |
| C8 | N4 | C3 | C2 | 89.2° | 85.0° |
| C8 | N4 | C3 | S15 | 177.3° | 179.9° |
| C8 | N4 | S15 | C16 | 92.9° | 95.5° |
| N4 | C8 | C9 | C14 | 67.7° | 84.1° |
| C8 | N4 | S15 | O24 | 19.4° | 150.9° |
| C8 | N4 | S15 | O23 | 155.9° | 18.0° |
| N4 | C8 | H8 | H8A | 118.5° | 120.0° |
| C8 | N4 | C3 | H3 | 150.8° | 35.0° |
| C8 | N4 | C3 | H3A | 27.3° | 155.0° |
| C8 | C9 | C10 | C14 | 179.2° | 180.0° |
| C8 | C9 | C10 | C11 | 179.7° | 180.0° |
| C8 | C9 | C14 | C13 | 177.9° | 180.0° |
| C9 | C8 | N4 | C3 | 42.2° | 85.1° |
| C9 | C8 | N4 | S15 | 140.4° | 94.8° |
| C9 | C8 | H8 | H8A | 118.5° | 120.0° |
| C8 | C9 | C10 | H10 | 0.3° | 0.2° |
| C8 | C9 | C14 | H14 | 2.1° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C10 | C9 | C14 | C13 | 2.9° | 0.0° |
| C9 | C10 | C11 | C12 | 1.6° | 0.1° |
| C10 | C9 | C8 | H8 | 126.9° | 24.2° |
| C10 | C9 | C8 | H8A | 5.3° | 144.1° |
| C10 | C9 | C14 | H14 | 177.1° | 180.0° |
| C9 | C10 | C11 | H11 | 178.3° | 180.0° |
| C10 | C11 | C12 | C13 | 4.0° | 0.1° |
| C11 | C10 | C9 | C14 | 1.1° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 176.0° | 180.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C13 | C14 | C9 | H14 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 5.7° | 0.0° |
| C14 | C13 | C12 | H12 | 174.3° | 180.0° |
| C12 | C13 | C14 | C9 | 5.2° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 174.8° | 180.0° |
| C13 | C12 | C11 | H11 | 176.0° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | S15 | 179.9° | 179.9° |
| C18 | C17 | C16 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | C20 | 3.5° | 0.0° |
| C17 | C18 | C19 | N22 | 178.8° | 179.9° |
| C17 | C16 | S15 | N4 | 74.3° | 85.0° |
| C16 | C17 | C18 | C19 | 1.1° | 0.0° |
| C17 | C16 | S15 | C21 | 179.8° | 180.0° |
| C17 | C16 | S15 | O24 | 38.9° | 28.5° |
| C17 | C16 | S15 | O23 | 174.9° | 161.4° |
| C17 | C16 | C21 | C20 | 0.8° | 0.0° |
| C16 | C17 | C18 | H18 | 179.0° | 180.0° |
| C17 | C16 | C21 | H21 | 179.2° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.6° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C31 | 1.5° | 0.1° |
| C27 | C28 | C29 | C30 | 9.8° | 0.1° |
| C28 | C27 | C26 | C25 | 177.8° | 179.9° |
| C27 | C28 | C29 | H29 | 170.2° | 179.9° |
| C29 | C28 | C27 | C26 | 7.3° | 0.1° |
| C28 | C29 | C30 | C31 | 6.6° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C29 | C28 | C27 | H27 | 172.7° | 179.9° |
| C28 | C29 | C30 | H30 | 173.4° | 179.9° |
| C2 | C3 | N4 | H3 | 120.0° | 120.0° |
| C2 | C3 | N4 | H3A | 116.5° | 120.0° |
| C2 | C3 | N4 | S15 | 93.5° | 95.0° |
| C3 | C2 | N1 | HN1 | 46.0° | 56.1° |
| C3 | C2 | H2 | H2A | 119.0° | 120.0° |
| C2 | C3 | H3 | H3A | 116.9° | 120.0° |
| C3 | N4 | S15 | C16 | 84.6° | 84.6° |
| C3 | N4 | S15 | O24 | 163.1° | 29.0° |
| C3 | N4 | S15 | O23 | 26.6° | 161.9° |
| C3 | N4 | C8 | H8 | 162.2° | 34.9° |
| C3 | N4 | C8 | H8A | 76.2° | 154.9° |
| N4 | C3 | C2 | H2 | 140.6° | 60.0° |
| N4 | C3 | C2 | H2A | 19.6° | 60.0° |
| N4 | C3 | H3 | H3A | 116.9° | 120.0° |
| N4 | S15 | C16 | O24 | 113.2° | 113.6° |
| N4 | S15 | C16 | O23 | 110.8° | 113.6° |
| N4 | S15 | C16 | C21 | 105.9° | 94.9° |
| N4 | S15 | O24 | O23 | 128.0° | 123.0° |
| S15 | N4 | C8 | H8 | 20.4° | 145.2° |
| S15 | N4 | C8 | H8A | 101.2° | 25.2° |
| S15 | N4 | C3 | H3 | 26.5° | 145.0° |
| S15 | N4 | C3 | H3A | 150.0° | 25.1° |
| C27 | C26 | C31 | C30 | 1.7° | 0.0° |
| C27 | C26 | C31 | C25 | 179.3° | 179.9° |
| C27 | C26 | C25 | N7 | 60.3° | 90.0° |
| C26 | C27 | C28 | H28 | 172.7° | 179.7° |
| C27 | C26 | C31 | H31 | 178.3° | 180.0° |
| C27 | C26 | C25 | H25 | 179.7° | 29.9° |
| C27 | C26 | C25 | H25A | 53.6° | 150.0° |
| C30 | C31 | C26 | H31 | 180.0° | 179.9° |
| C31 | C30 | C29 | H30 | 180.0° | 179.9° |
| C30 | C31 | C26 | C25 | 179.0° | 180.0° |
| C31 | C30 | C29 | H29 | 173.4° | 180.0° |
| C26 | C31 | C30 | C29 | 0.9° | 0.0° |
| C31 | C26 | C25 | N7 | 118.9° | 90.1° |
| C31 | C26 | C27 | H27 | 178.5° | 180.0° |
| C26 | C31 | C30 | H30 | 179.1° | 180.0° |
| C31 | C26 | C25 | H25 | 1.1° | 150.0° |
| C31 | C26 | C25 | H25A | 127.1° | 30.0° |
| C30 | C29 | C28 | H28 | 170.2° | 179.7° |
| C29 | C30 | C31 | H31 | 179.1° | 180.0° |
| N7 | C25 | C26 | H25 | 120.0° | 119.9° |
| N7 | C25 | C26 | H25A | 113.9° | 120.0° |
| C25 | N7 | S32 | O41 | 125.2° | 23.6° |
| C25 | N7 | S32 | O40 | 3.8° | 156.5° |
| C25 | N7 | S32 | C33 | 118.5° | 90.0° |
| C25 | N7 | C6 | H6 | 102.5° | 35.1° |
| C25 | N7 | C6 | H6A | 21.1° | 155.0° |
| N7 | C25 | H25 | H25A | 115.0° | 120.1° |
| C26 | C25 | N7 | S32 | 161.1° | 95.0° |
| C25 | C26 | C27 | H27 | 2.2° | 0.0° |
| C25 | C26 | C31 | H31 | 1.0° | 0.1° |
| C26 | C25 | H25 | H25A | 115.0° | 120.1° |
| N7 | S32 | O41 | O40 | 120.2° | 123.0° |
| N7 | S32 | O41 | C33 | 112.7° | 114.1° |
| N7 | S32 | O40 | C33 | 110.5° | 114.1° |
| N7 | S32 | C33 | C38 | 68.8° | 90.0° |
| N7 | S32 | C33 | C34 | 112.1° | 90.3° |
| S32 | N7 | C6 | H6 | 76.3° | 145.0° |
| S32 | N7 | C6 | H6A | 160.1° | 25.0° |
| S32 | N7 | C25 | H25 | 41.1° | 24.9° |
| S32 | N7 | C25 | H25A | 84.9° | 145.0° |
| C18 | C19 | C20 | C21 | 4.6° | 0.1° |
| C18 | C19 | C20 | N22 | 177.7° | 179.9° |
| C19 | C18 | C17 | H17 | 178.9° | 179.8° |
| C18 | C19 | C20 | H20 | 175.3° | 180.0° |
| C18 | C19 | N22 | HN22 | 81.2° | 0.1° |
| C18 | C19 | N22 | HN2A | 38.7° | 180.0° |
| C16 | S15 | O24 | O23 | 127.5° | 122.8° |
| S15 | C16 | C21 | C20 | 179.0° | 179.9° |
| S15 | C16 | C17 | H17 | 0.1° | 0.3° |
| S15 | C16 | C21 | H21 | 1.0° | 0.0° |
| C21 | C16 | S15 | O24 | 141.0° | 151.5° |
| C21 | C16 | S15 | O23 | 5.0° | 18.6° |
| C16 | C21 | C20 | H21 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 3.2° | 0.0° |
| C21 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C21 | C20 | H20 | 176.8° | 180.0° |
| C14 | C9 | C8 | H8 | 52.3° | 155.9° |
| C14 | C9 | C8 | H8A | 173.9° | 35.9° |
| C14 | C9 | C10 | H10 | 178.9° | 179.8° |
| C9 | C14 | C13 | H13 | 174.8° | 180.0° |
| C12 | C11 | C10 | H10 | 178.4° | 179.8° |
| C11 | C12 | C13 | H13 | 174.3° | 180.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | N22 | 177.6° | 179.9° |
| C20 | C19 | C18 | H18 | 176.5° | 180.0° |
| C19 | C20 | C21 | H21 | 176.8° | 180.0° |
| C20 | C19 | N22 | HN22 | 101.0° | 180.0° |
| C20 | C19 | N22 | HN2A | 139.0° | 0.1° |
| N22 | C19 | C18 | H18 | 1.2° | 0.1° |
| N22 | C19 | C20 | H20 | 2.4° | 0.1° |
| C19 | N22 | HN22 | HN2A | 120.0° | 179.9° |
| O41 | S32 | O40 | C33 | 126.9° | 122.9° |
| O41 | S32 | C33 | C38 | 174.8° | 23.6° |
| O41 | S32 | C33 | C34 | 4.3° | 156.2° |
| O40 | S32 | C33 | C38 | 42.3° | 156.5° |
| O40 | S32 | C33 | C34 | 136.8° | 23.3° |
| S32 | C33 | C38 | C34 | 179.1° | 179.8° |
| S32 | C33 | C38 | C37 | 179.9° | 180.0° |
| S32 | C33 | C34 | C35 | 179.8° | 179.7° |
| S32 | C33 | C38 | H38 | 0.1° | 0.0° |
| S32 | C33 | C34 | H34 | 0.2° | 0.0° |
| C33 | C38 | C37 | H38 | 180.0° | 180.0° |
| C33 | C38 | C37 | C36 | 0.1° | 0.0° |
| C38 | C33 | C34 | C35 | 1.1° | 0.5° |
| C33 | C38 | C37 | H37 | 179.9° | 179.9° |
| C38 | C33 | C34 | H34 | 178.9° | 179.7° |
| C34 | C33 | C38 | C37 | 1.0° | 0.3° |
| C33 | C34 | C35 | C36 | 0.3° | 0.5° |
| C33 | C34 | C35 | H34 | 180.0° | 179.8° |
| C34 | C33 | C38 | H38 | 179.0° | 179.7° |
| C33 | C34 | C35 | H35 | 179.8° | 179.7° |
| C38 | C37 | C36 | H37 | 180.0° | 179.9° |
| C38 | C37 | C36 | N39 | 178.5° | 180.0° |
| C38 | C37 | C36 | C35 | 0.7° | 0.1° |
| C37 | C36 | N39 | C35 | 179.2° | 179.9° |
| C37 | C36 | C35 | C34 | 0.6° | 0.2° |
| C36 | C37 | C38 | H38 | 179.9° | 180.0° |
| C37 | C36 | N39 | HN39 | 42.8° | 0.0° |
| C37 | C36 | N39 | HN3A | 77.3° | 179.9° |
| C37 | C36 | C35 | H35 | 179.4° | 180.0° |
| N39 | C36 | C35 | C34 | 178.5° | 179.7° |
| N39 | C36 | C37 | H37 | 1.5° | 0.1° |
| C36 | N39 | HN39 | HN3A | 120.0° | 179.9° |
| N39 | C36 | C35 | H35 | 1.5° | 0.1° |
| C36 | C35 | C34 | H35 | 180.0° | 179.8° |
| C35 | C36 | C37 | H37 | 179.3° | 180.0° |
| C35 | C36 | N39 | HN39 | 136.4° | 179.9° |
| C35 | C36 | N39 | HN3A | 103.6° | 0.0° |
| C36 | C35 | C34 | H34 | 179.7° | 179.8° |
| HN1 | N1 | C5 | H5 | 102.5° | 63.9° |
| HN1 | N1 | C5 | H5A | 134.9° | 176.0° |
| HN1 | N1 | C2 | H2 | 166.0° | 176.0° |
| HN1 | N1 | C2 | H2A | 73.0° | 63.9° |
| H5 | C5 | C6 | H6 | 76.1° | 180.0° |
| H5 | C5 | C6 | H6A | 160.3° | 60.0° |
| H5A | C5 | C6 | H6 | 46.5° | 59.9° |
| H5A | C5 | C6 | H6A | 77.2° | 180.0° |
| H10 | C10 | C11 | H11 | 1.6° | 0.2° |
| H13 | C13 | C14 | H14 | 5.2° | 0.0° |
| H13 | C13 | C12 | H12 | 5.7° | 0.0° |
| H17 | C17 | C18 | H18 | 1.0° | 0.3° |
| H28 | C28 | C27 | H27 | 7.3° | 0.4° |
| H28 | C28 | C29 | H29 | 9.8° | 0.4° |
| H2 | C2 | C3 | H3 | 99.3° | 180.0° |
| H2 | C2 | C3 | H3A | 24.2° | 60.0° |
| H2A | C2 | C3 | H3 | 139.6° | 60.0° |
| H2A | C2 | C3 | H3A | 96.9° | 180.0° |
| H31 | C31 | C30 | H30 | 0.9° | 0.1° |
| H30 | C30 | C29 | H29 | 6.6° | 0.0° |
| H11 | C11 | C12 | H12 | 4.0° | 0.0° |
| H21 | C21 | C20 | H20 | 3.2° | 0.0° |
| H38 | C38 | C37 | H37 | 0.1° | 0.1° |
| H35 | C35 | C34 | H34 | 0.3° | 0.1° |
