03I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C8 | sing | 1.48Å | 1.46Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O7 | C4 | sing | 1.36Å | 1.39Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | C25 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C22 | C16 | sing | 1.53Å | 1.52Å | |
| S18 | C16 | sing | 1.81Å | 1.80Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | O24 | doub | 1.21Å | 1.22Å | |
| C17 | N23 | sing | 1.35Å | 1.37Å | |
| O21 | S18 | doub | 1.42Å | 1.45Å | |
| S18 | C19 | sing | 1.81Å | 1.77Å | |
| S18 | O20 | doub | 1.42Å | 1.45Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| N23 | O28 | sing | 1.42Å | 1.41Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| N29 | C27 | sing | 1.47Å | 1.48Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| O28 | HO28 | sing | 0.97Å | 0.95Å | |
| C30 | N29 | sing | 1.47Å | 1.49Å | |
| C34 | N29 | sing | 1.47Å | 1.49Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| O32 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| O32 | C33 | sing | 1.43Å | 1.43Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.1° | 119.9° |
| C2 | C1 | C8 | 120.7° | 120.1° |
| C1 | C2 | C3 | 121.3° | 119.9° |
| C1 | C2 | H2 | 119.4° | 120.0° |
| C6 | C1 | C8 | 121.2° | 120.1° |
| C1 | C6 | C5 | 121.4° | 119.9° |
| C1 | C6 | H6 | 119.3° | 120.0° |
| C1 | C8 | C9 | 122.2° | 120.1° |
| C1 | C8 | C13 | 119.9° | 120.1° |
| C3 | C2 | H2 | 119.3° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | O7 | 116.0° | 119.9° |
| C3 | C4 | C5 | 120.1° | 120.1° |
| O7 | C4 | C5 | 123.8° | 119.9° |
| C4 | O7 | C25 | 111.5° | 117.0° |
| C4 | C5 | C6 | 119.3° | 120.1° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C6 | C5 | H5 | 120.4° | 120.0° |
| C5 | C6 | H6 | 119.3° | 120.0° |
| O7 | C25 | C26 | 106.8° | 109.5° |
| O7 | C25 | H25 | 110.4° | 109.5° |
| O7 | C25 | H25A | 110.4° | 109.4° |
| C9 | C8 | C13 | 117.9° | 119.7° |
| C8 | C9 | C10 | 121.3° | 119.9° |
| C8 | C9 | H9 | 119.3° | 120.1° |
| C8 | C13 | C12 | 120.9° | 119.9° |
| C8 | C13 | H13 | 119.6° | 120.1° |
| C10 | C9 | H9 | 119.4° | 120.0° |
| C9 | C10 | C11 | 120.4° | 120.1° |
| C9 | C10 | H10 | 119.8° | 119.9° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | C12 | 118.4° | 120.2° |
| C10 | C11 | C14 | 121.8° | 119.8° |
| C12 | C11 | C14 | 119.8° | 119.9° |
| C11 | C12 | C13 | 121.1° | 120.1° |
| C11 | C12 | H12 | 119.5° | 119.9° |
| C11 | C14 | C15 | 109.9° | 109.5° |
| C11 | C14 | H14 | 109.3° | 109.5° |
| C11 | C14 | H14A | 109.3° | 109.5° |
| C13 | C12 | H12 | 119.4° | 120.0° |
| C12 | C13 | H13 | 119.5° | 120.1° |
| C15 | C14 | H14 | 109.3° | 109.5° |
| C15 | C14 | H14A | 109.3° | 109.5° |
| C14 | C15 | C16 | 118.5° | 109.5° |
| C14 | C15 | H15 | 106.5° | 109.5° |
| C14 | C15 | H15A | 106.5° | 109.5° |
| H14 | C14 | H14A | 109.7° | 109.4° |
| C16 | C15 | H15 | 106.5° | 109.5° |
| C16 | C15 | H15A | 106.6° | 109.5° |
| C15 | C16 | C22 | 108.9° | 109.5° |
| C15 | C16 | S18 | 109.6° | 109.5° |
| C15 | C16 | C17 | 111.1° | 109.5° |
| H15 | C15 | H15A | 112.3° | 109.5° |
| C22 | C16 | S18 | 105.3° | 109.5° |
| C22 | C16 | C17 | 112.0° | 109.5° |
| C16 | C22 | H22 | 109.5° | 109.5° |
| C16 | C22 | H22A | 109.4° | 109.4° |
| C16 | C22 | H22B | 109.5° | 109.5° |
| S18 | C16 | C17 | 109.8° | 109.4° |
| C16 | S18 | O21 | 109.3° | 108.6° |
| C16 | S18 | C19 | 105.6° | 101.9° |
| C16 | S18 | O20 | 109.1° | 108.6° |
| C16 | C17 | O24 | 123.9° | 120.0° |
| C16 | C17 | N23 | 115.2° | 120.0° |
| O24 | C17 | N23 | 121.0° | 120.0° |
| C17 | N23 | O28 | 110.4° | 120.0° |
| C17 | N23 | HN23 | 124.8° | 120.0° |
| O21 | S18 | C19 | 106.1° | 108.5° |
| O21 | S18 | O20 | 118.0° | 119.2° |
| C19 | S18 | O20 | 108.0° | 108.6° |
| S18 | C19 | H19 | 109.5° | 109.5° |
| S18 | C19 | H19A | 109.4° | 109.4° |
| S18 | C19 | H19B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| H19 | C19 | H19B | 109.4° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| O28 | N23 | HN23 | 124.8° | 120.0° |
| N23 | O28 | HO28 | 109.5° | 114.0° |
| C26 | C25 | H25 | 110.4° | 109.5° |
| C26 | C25 | H25A | 110.4° | 109.5° |
| C25 | C26 | C27 | 108.7° | 109.4° |
| C25 | C26 | H26 | 109.8° | 109.5° |
| C25 | C26 | H26A | 109.7° | 109.5° |
| H25 | C25 | H25A | 108.5° | 109.5° |
| C27 | C26 | H26 | 109.7° | 109.5° |
| C27 | C26 | H26A | 109.7° | 109.5° |
| C26 | C27 | N29 | 109.5° | 109.5° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.2° | 109.5° |
| N29 | C27 | H27 | 109.5° | 109.5° |
| N29 | C27 | H27A | 109.4° | 109.5° |
| C27 | N29 | C30 | 112.1° | 111.0° |
| C27 | N29 | C34 | 109.6° | 111.0° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| C30 | N29 | C34 | 113.8° | 110.8° |
| N29 | C30 | C31 | 107.3° | 109.2° |
| N29 | C30 | H30 | 110.2° | 109.5° |
| N29 | C30 | H30A | 110.2° | 109.6° |
| N29 | C34 | C33 | 107.6° | 109.3° |
| N29 | C34 | H34 | 110.1° | 109.5° |
| N29 | C34 | H34A | 110.1° | 109.5° |
| C31 | C30 | H30 | 110.2° | 109.5° |
| C31 | C30 | H30A | 110.2° | 109.5° |
| C30 | C31 | O32 | 107.7° | 109.3° |
| C30 | C31 | H31 | 110.1° | 109.5° |
| C30 | C31 | H31A | 110.1° | 109.5° |
| H30 | C30 | H30A | 108.7° | 109.5° |
| O32 | C31 | H31 | 110.0° | 109.5° |
| O32 | C31 | H31A | 110.0° | 109.6° |
| C31 | O32 | C33 | 111.4° | 113.7° |
| H31 | C31 | H31A | 108.9° | 109.4° |
| O32 | C33 | C34 | 109.1° | 109.2° |
| O32 | C33 | H33 | 109.6° | 109.5° |
| O32 | C33 | H33A | 109.6° | 109.5° |
| C34 | C33 | H33 | 109.6° | 109.5° |
| C34 | C33 | H33A | 109.6° | 109.6° |
| C33 | C34 | H34 | 110.1° | 109.4° |
| C33 | C34 | H34A | 110.1° | 109.5° |
| H33 | C33 | H33A | 109.3° | 109.6° |
| H34 | C34 | H34A | 108.8° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C8 | 178.8° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C2 | C1 | C6 | H6 | 179.1° | 179.8° |
| C2 | C1 | C8 | C9 | 39.9° | 0.3° |
| C2 | C1 | C8 | C13 | 139.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 1.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 178.8° | 179.9° |
| C6 | C1 | C8 | C9 | 141.4° | 180.0° |
| C6 | C1 | C8 | C13 | 39.1° | 0.3° |
| C8 | C1 | C2 | C3 | 178.5° | 179.7° |
| C8 | C1 | C2 | H2 | 1.5° | 0.3° |
| C8 | C1 | C6 | C5 | 177.9° | 179.8° |
| C8 | C1 | C6 | H6 | 2.1° | 0.1° |
| C1 | C8 | C9 | C13 | 179.5° | 179.7° |
| C1 | C8 | C9 | C10 | 179.7° | 180.0° |
| C1 | C8 | C9 | H9 | 0.3° | 0.0° |
| C1 | C8 | C13 | C12 | 179.8° | 179.7° |
| C1 | C8 | C13 | H13 | 0.2° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | O7 | 179.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.1° |
| C3 | C4 | O7 | C5 | 178.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C3 | C4 | C5 | H5 | 179.1° | 179.9° |
| C3 | C4 | O7 | C25 | 150.5° | 179.9° |
| H3 | C3 | C4 | O7 | 1.0° | 0.1° |
| H3 | C3 | C4 | C5 | 179.7° | 179.9° |
| O7 | C4 | C5 | C6 | 179.4° | 180.0° |
| O7 | C4 | C5 | H5 | 0.5° | 0.1° |
| C4 | O7 | C25 | C26 | 167.8° | 180.0° |
| C4 | O7 | C25 | H25 | 47.8° | 60.0° |
| C4 | O7 | C25 | H25A | 72.2° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 178.8° | 179.8° |
| C5 | C4 | O7 | C25 | 30.9° | 0.1° |
| H5 | C5 | C6 | H6 | 1.2° | 0.1° |
| O7 | C25 | C26 | H25 | 120.0° | 120.0° |
| O7 | C25 | C26 | H25A | 120.0° | 119.9° |
| O7 | C25 | H25 | H25A | 121.1° | 119.9° |
| O7 | C25 | C26 | C27 | 136.5° | 180.0° |
| O7 | C25 | C26 | H26 | 16.6° | 60.0° |
| O7 | C25 | C26 | H26A | 103.5° | 60.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.5° |
| C9 | C8 | C13 | H13 | 179.8° | 179.7° |
| C13 | C8 | C9 | C10 | 0.1° | 0.2° |
| C13 | C8 | C9 | H9 | 179.9° | 179.7° |
| C8 | C13 | C12 | C11 | 0.3° | 0.6° |
| C8 | C13 | C12 | H13 | 180.0° | 179.8° |
| C8 | C13 | C12 | H12 | 179.7° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | C14 | 179.6° | 180.0° |
| H9 | C9 | C10 | C11 | 179.9° | 180.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.1° |
| C10 | C11 | C12 | C14 | 179.4° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.3° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| C10 | C11 | C14 | C15 | 94.3° | 90.0° |
| C10 | C11 | C14 | H14 | 145.7° | 150.0° |
| C10 | C11 | C14 | H14A | 25.6° | 30.0° |
| H10 | C10 | C11 | C12 | 179.8° | 180.0° |
| H10 | C10 | C11 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | H13 | 179.7° | 179.7° |
| C12 | C11 | C14 | C15 | 86.3° | 90.0° |
| C12 | C11 | C14 | H14 | 33.7° | 30.0° |
| C12 | C11 | C14 | H14A | 153.7° | 150.0° |
| C14 | C11 | C12 | C13 | 179.7° | 179.7° |
| C14 | C11 | C12 | H12 | 0.3° | 0.0° |
| C11 | C14 | C15 | H14 | 120.0° | 120.0° |
| C11 | C14 | C15 | H14A | 120.0° | 120.1° |
| C11 | C14 | H14 | H14A | 119.9° | 120.0° |
| C11 | C14 | C15 | C16 | 177.4° | 174.2° |
| C11 | C14 | C15 | H15 | 57.4° | 65.8° |
| C11 | C14 | C15 | H15A | 62.6° | 54.2° |
| H12 | C12 | C13 | H13 | 0.3° | 0.1° |
| C15 | C14 | H14 | H14A | 119.8° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 116.3° | 120.0° |
| C14 | C15 | C16 | C22 | 67.2° | 53.9° |
| C14 | C15 | C16 | S18 | 178.1° | 66.2° |
| C14 | C15 | C16 | C17 | 56.6° | 173.9° |
| H14 | C14 | C15 | C16 | 62.6° | 54.1° |
| H14 | C14 | C15 | H15 | 177.4° | 174.2° |
| H14 | C14 | C15 | H15A | 57.4° | 65.8° |
| H14A | C14 | C15 | C16 | 57.4° | 65.8° |
| H14A | C14 | C15 | H15 | 62.6° | 54.3° |
| H14A | C14 | C15 | H15A | 177.4° | 174.2° |
| C16 | C15 | H15 | H15A | 116.3° | 120.0° |
| C15 | C16 | C22 | S18 | 117.5° | 120.0° |
| C15 | C16 | C22 | C17 | 123.2° | 120.0° |
| C15 | C16 | S18 | C17 | 122.3° | 120.0° |
| C15 | C16 | C17 | O24 | 55.7° | 15.0° |
| C15 | C16 | C17 | N23 | 123.6° | 165.0° |
| C15 | C16 | S18 | O21 | 56.0° | 50.1° |
| C15 | C16 | S18 | C19 | 57.8° | 64.3° |
| C15 | C16 | S18 | O20 | 173.6° | 178.8° |
| C15 | C16 | C22 | H22 | 180.0° | 60.0° |
| C15 | C16 | C22 | H22A | 60.0° | 180.0° |
| C15 | C16 | C22 | H22B | 60.0° | 60.0° |
| H15 | C15 | C16 | C22 | 52.8° | 173.9° |
| H15 | C15 | C16 | S18 | 61.9° | 53.8° |
| H15 | C15 | C16 | C17 | 176.6° | 66.1° |
| H15A | C15 | C16 | C22 | 172.9° | 66.1° |
| H15A | C15 | C16 | S18 | 58.2° | 173.9° |
| H15A | C15 | C16 | C17 | 63.3° | 53.9° |
| C22 | C16 | S18 | C17 | 120.8° | 120.0° |
| C22 | C16 | C17 | O24 | 177.7° | 105.0° |
| C22 | C16 | C17 | N23 | 1.6° | 75.0° |
| C22 | C16 | S18 | O21 | 61.0° | 69.9° |
| C22 | C16 | S18 | C19 | 174.8° | 175.7° |
| C22 | C16 | S18 | O20 | 69.4° | 61.1° |
| C16 | C22 | H22 | H22A | 120.0° | 120.0° |
| C16 | C22 | H22 | H22B | 120.0° | 120.0° |
| C16 | C22 | H22A | H22B | 120.0° | 120.0° |
| S18 | C16 | C17 | O24 | 65.6° | 135.0° |
| S18 | C16 | C17 | N23 | 115.0° | 45.0° |
| C16 | S18 | O21 | C19 | 113.4° | 110.0° |
| C16 | S18 | O21 | O20 | 125.4° | 125.0° |
| C16 | S18 | C19 | O20 | 116.6° | 114.5° |
| C16 | S18 | C19 | H19 | 180.0° | 60.0° |
| C16 | S18 | C19 | H19A | 60.0° | 180.0° |
| C16 | S18 | C19 | H19B | 60.0° | 60.0° |
| S18 | C16 | C22 | H22 | 62.6° | 60.0° |
| S18 | C16 | C22 | H22A | 177.5° | 59.9° |
| S18 | C16 | C22 | H22B | 57.5° | 179.9° |
| C16 | C17 | O24 | N23 | 179.3° | 180.0° |
| C17 | C16 | S18 | O21 | 178.2° | 170.1° |
| C17 | C16 | S18 | C19 | 64.5° | 55.7° |
| C17 | C16 | S18 | O20 | 51.4° | 58.8° |
| C17 | C16 | C22 | H22 | 56.7° | 179.9° |
| C17 | C16 | C22 | H22A | 63.3° | 60.0° |
| C17 | C16 | C22 | H22B | 176.8° | 60.0° |
| C16 | C17 | N23 | O28 | 174.1° | 180.0° |
| C16 | C17 | N23 | HN23 | 5.8° | 0.0° |
| O24 | C17 | N23 | O28 | 6.5° | 0.0° |
| O24 | C17 | N23 | HN23 | 173.5° | 180.0° |
| C17 | N23 | O28 | HN23 | 180.0° | 180.0° |
| C17 | N23 | O28 | HO28 | 3.1° | 179.9° |
| O21 | S18 | C19 | O20 | 127.5° | 131.0° |
| O21 | S18 | C19 | H19 | 64.1° | 174.5° |
| O21 | S18 | C19 | H19A | 55.9° | 65.6° |
| O21 | S18 | C19 | H19B | 176.0° | 54.5° |
| S18 | C19 | H19 | H19A | 120.0° | 120.0° |
| S18 | C19 | H19 | H19B | 120.0° | 120.1° |
| S18 | C19 | H19A | H19B | 120.0° | 120.0° |
| O20 | S18 | C19 | H19 | 63.4° | 54.5° |
| O20 | S18 | C19 | H19A | 176.6° | 65.4° |
| O20 | S18 | C19 | H19B | 56.6° | 174.5° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| HN23 | N23 | O28 | HO28 | 177.0° | 0.0° |
| C26 | C25 | H25 | H25A | 121.1° | 120.0° |
| C25 | C26 | C27 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 120.3° | 120.0° |
| C25 | C26 | C27 | N29 | 171.0° | 180.0° |
| C25 | C26 | C27 | H27 | 69.0° | 60.0° |
| C25 | C26 | C27 | H27A | 51.0° | 60.0° |
| H25 | C25 | C26 | C27 | 103.4° | 60.0° |
| H25 | C25 | C26 | H26 | 136.6° | 180.0° |
| H25 | C25 | C26 | H26A | 16.6° | 60.0° |
| H25A | C25 | C26 | C27 | 16.6° | 60.1° |
| H25A | C25 | C26 | H26 | 103.4° | 59.9° |
| H25A | C25 | C26 | H26A | 136.5° | 179.9° |
| C27 | C26 | H26 | H26A | 120.3° | 120.0° |
| C26 | C27 | N29 | H27 | 120.0° | 120.0° |
| C26 | C27 | N29 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 120.0° | 120.0° |
| C26 | C27 | N29 | C30 | 97.6° | 170.0° |
| C26 | C27 | N29 | C34 | 135.1° | 66.4° |
| H26 | C26 | C27 | N29 | 51.0° | 60.0° |
| H26 | C26 | C27 | H27 | 171.0° | 180.0° |
| H26 | C26 | C27 | H27A | 69.0° | 60.0° |
| H26A | C26 | C27 | N29 | 69.0° | 60.0° |
| H26A | C26 | C27 | H27 | 51.0° | 60.0° |
| H26A | C26 | C27 | H27A | 171.0° | 180.0° |
| N29 | C27 | H27 | H27A | 120.0° | 120.0° |
| C27 | N29 | C30 | C34 | 125.0° | 123.8° |
| C27 | N29 | C30 | C31 | 178.8° | 177.6° |
| C27 | N29 | C30 | H30 | 61.2° | 62.5° |
| C27 | N29 | C30 | H30A | 58.8° | 57.6° |
| C27 | N29 | C34 | C33 | 179.3° | 177.5° |
| C27 | N29 | C34 | H34 | 59.3° | 57.7° |
| C27 | N29 | C34 | H34A | 60.7° | 62.5° |
| H27 | C27 | N29 | C30 | 142.4° | 70.0° |
| H27 | C27 | N29 | C34 | 15.1° | 53.7° |
| H27A | C27 | N29 | C30 | 22.4° | 49.9° |
| H27A | C27 | N29 | C34 | 104.9° | 173.6° |
| N29 | C30 | C31 | H30 | 120.0° | 119.9° |
| N29 | C30 | C31 | H30A | 120.0° | 120.0° |
| N29 | C30 | H30 | H30A | 120.9° | 120.1° |
| N29 | C30 | C31 | O32 | 59.3° | 56.8° |
| N29 | C30 | C31 | H31 | 179.2° | 176.7° |
| N29 | C30 | C31 | H31A | 60.7° | 63.2° |
| C30 | N29 | C34 | C33 | 54.4° | 58.6° |
| C30 | N29 | C34 | H34 | 174.4° | 178.5° |
| C30 | N29 | C34 | H34A | 65.6° | 61.3° |
| C34 | N29 | C30 | C31 | 56.2° | 58.6° |
| C34 | N29 | C30 | H30 | 63.8° | 61.3° |
| C34 | N29 | C30 | H30A | 176.2° | 178.6° |
| N29 | C34 | C33 | O32 | 56.2° | 56.9° |
| N29 | C34 | C33 | H34 | 120.0° | 119.9° |
| N29 | C34 | C33 | H34A | 120.0° | 120.0° |
| N29 | C34 | C33 | H33 | 176.2° | 176.7° |
| N29 | C34 | C33 | H33A | 63.8° | 63.0° |
| N29 | C34 | H34 | H34A | 120.8° | 120.1° |
| C31 | C30 | H30 | H30A | 120.9° | 120.1° |
| C30 | C31 | O32 | H31 | 120.0° | 119.9° |
| C30 | C31 | O32 | H31A | 120.0° | 120.0° |
| C30 | C31 | H31 | H31A | 120.7° | 120.1° |
| C30 | C31 | O32 | C33 | 66.8° | 58.7° |
| H30 | C30 | C31 | O32 | 60.7° | 63.1° |
| H30 | C30 | C31 | H31 | 59.2° | 56.9° |
| H30 | C30 | C31 | H31A | 179.3° | 176.9° |
| H30A | C30 | C31 | O32 | 179.3° | 176.8° |
| H30A | C30 | C31 | H31 | 60.8° | 63.3° |
| H30A | C30 | C31 | H31A | 59.3° | 56.8° |
| O32 | C31 | H31 | H31A | 120.7° | 120.1° |
| C31 | O32 | C33 | C34 | 65.5° | 58.7° |
| C31 | O32 | C33 | H33 | 174.5° | 178.6° |
| C31 | O32 | C33 | H33A | 54.5° | 61.3° |
| H31 | C31 | O32 | C33 | 173.2° | 178.6° |
| H31A | C31 | O32 | C33 | 53.2° | 61.3° |
| O32 | C33 | C34 | H33 | 120.0° | 119.9° |
| O32 | C33 | C34 | H33A | 120.0° | 119.9° |
| O32 | C33 | H33 | H33A | 120.2° | 120.1° |
| O32 | C33 | C34 | H34 | 176.2° | 176.8° |
| O32 | C33 | C34 | H34A | 63.8° | 63.1° |
| C34 | C33 | H33 | H33A | 120.2° | 120.2° |
| C33 | C34 | H34 | H34A | 120.7° | 120.1° |
| H33 | C33 | C34 | H34 | 63.7° | 63.4° |
| H33 | C33 | C34 | H34A | 56.2° | 56.8° |
| H33A | C33 | C34 | H34 | 56.3° | 56.9° |
| H33A | C33 | C34 | H34A | 176.2° | 177.0° |
