OOS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C31 | sing | 1.39Å | 1.37Å | Aromatic |
| C31 | O23 | sing | 1.36Å | 1.43Å | |
| N10 | C3 | sing | 1.38Å | 1.38Å | |
| O23 | C20 | sing | 1.36Å | 1.43Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C9 | sing | 1.48Å | 1.56Å | |
| C2 | C9 | sing | 1.47Å | 1.51Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.45Å | Aromatic |
| C5 | N6 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.40Å | Aromatic |
| C1 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | N7 | sing | 1.37Å | 1.27Å | Aromatic |
| C8 | N7 | sing | 1.37Å | 1.25Å | Aromatic |
| N7 | C12 | sing | 1.46Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C17 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C15 | N24 | sing | 1.47Å | 1.46Å | |
| N24 | C26 | sing | 1.47Å | 1.45Å | |
| O37 | C25 | doub | 1.21Å | 1.23Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C28 | C30 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.51Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | N38 | sing | 1.35Å | 1.47Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| N10 | H3 | sing | 0.97Å | 1.00Å | |
| N10 | H4 | sing | 0.97Å | 1.00Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| N24 | H19 | sing | 1.01Å | 1.00Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| N38 | H36 | sing | 0.97Å | 1.00Å | |
| N38 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C35 | 120.1° | 120.1° |
| C34 | C33 | C32 | 120.5° | 120.1° |
| C34 | C33 | H32 | 119.7° | 120.0° |
| C33 | C34 | H33 | 119.9° | 120.0° |
| C34 | C35 | C36 | 119.6° | 120.1° |
| C35 | C34 | H33 | 120.0° | 119.9° |
| C34 | C35 | H34 | 120.2° | 120.0° |
| C33 | C32 | C31 | 119.8° | 119.9° |
| C33 | C32 | H31 | 120.1° | 120.0° |
| C32 | C33 | H32 | 119.7° | 119.9° |
| C35 | C36 | C31 | 119.7° | 119.9° |
| C36 | C35 | H34 | 120.2° | 120.0° |
| C35 | C36 | H35 | 120.2° | 120.0° |
| C32 | C31 | C36 | 120.3° | 119.9° |
| C32 | C31 | O23 | 121.7° | 120.0° |
| C31 | C32 | H31 | 120.1° | 120.1° |
| C36 | C31 | O23 | 117.9° | 120.0° |
| C31 | C36 | H35 | 120.1° | 120.1° |
| C31 | O23 | C20 | 122.6° | 118.0° |
| N10 | C3 | N4 | 119.2° | 120.9° |
| N10 | C3 | C2 | 121.1° | 120.8° |
| C3 | N10 | H3 | 109.5° | 119.9° |
| C3 | N10 | H4 | 109.5° | 120.0° |
| O23 | C20 | C19 | 123.6° | 119.9° |
| O23 | C20 | C21 | 116.3° | 119.9° |
| C20 | C19 | C18 | 120.1° | 120.1° |
| C19 | C20 | C21 | 120.0° | 120.2° |
| C20 | C19 | H16 | 119.9° | 120.0° |
| C19 | C18 | C11 | 119.9° | 119.9° |
| C19 | C18 | H15 | 120.1° | 120.1° |
| C18 | C19 | H16 | 119.9° | 119.9° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C20 | C21 | H17 | 120.0° | 120.0° |
| C18 | C11 | C22 | 120.2° | 119.9° |
| C18 | C11 | C9 | 121.2° | 120.0° |
| C11 | C18 | H15 | 120.1° | 120.1° |
| N4 | C3 | C2 | 119.7° | 118.3° |
| C3 | N4 | C5 | 117.9° | 121.0° |
| C3 | C2 | C9 | 141.2° | 135.1° |
| C3 | C2 | C1 | 117.3° | 118.7° |
| N4 | C5 | N6 | 128.8° | 122.7° |
| N4 | C5 | H1 | 115.6° | 118.6° |
| C21 | C22 | C11 | 119.9° | 119.9° |
| C22 | C21 | H17 | 120.1° | 120.0° |
| C21 | C22 | H18 | 120.1° | 120.0° |
| C22 | C11 | C9 | 118.6° | 120.1° |
| C11 | C22 | H18 | 120.1° | 120.1° |
| C11 | C9 | C2 | 128.8° | 126.7° |
| C11 | C9 | C8 | 124.7° | 126.7° |
| C9 | C2 | C1 | 101.6° | 106.2° |
| C2 | C9 | C8 | 106.5° | 106.6° |
| C2 | C1 | N6 | 125.2° | 118.5° |
| C2 | C1 | N7 | 105.1° | 107.4° |
| C5 | N6 | C1 | 111.0° | 120.7° |
| N6 | C5 | H1 | 115.6° | 118.7° |
| C9 | C8 | N7 | 105.1° | 109.6° |
| C9 | C8 | H2 | 127.4° | 125.2° |
| N6 | C1 | N7 | 129.7° | 134.1° |
| C1 | N7 | C8 | 121.7° | 110.2° |
| C1 | N7 | C12 | 119.8° | 124.9° |
| C8 | N7 | C12 | 118.4° | 124.9° |
| N7 | C8 | H2 | 127.4° | 125.2° |
| N7 | C12 | C13 | 108.5° | 109.5° |
| N7 | C12 | C17 | 115.6° | 109.4° |
| N7 | C12 | H5 | 108.9° | 109.5° |
| C12 | C13 | C14 | 110.3° | 109.4° |
| C13 | C12 | C17 | 106.8° | 109.5° |
| C13 | C12 | H5 | 108.4° | 109.5° |
| C12 | C13 | H6 | 109.3° | 109.4° |
| C12 | C13 | H7 | 109.3° | 109.4° |
| C13 | C14 | C15 | 113.5° | 109.5° |
| C14 | C13 | H6 | 109.3° | 109.5° |
| C14 | C13 | H7 | 109.3° | 109.5° |
| C13 | C14 | H8 | 108.5° | 109.5° |
| C13 | C14 | H9 | 108.5° | 109.4° |
| C12 | C17 | C16 | 108.9° | 109.4° |
| C17 | C12 | H5 | 108.4° | 109.5° |
| C12 | C17 | H13 | 109.6° | 109.5° |
| C12 | C17 | H14 | 109.6° | 109.5° |
| C14 | C15 | C16 | 109.1° | 109.4° |
| C14 | C15 | N24 | 107.4° | 109.5° |
| C15 | C14 | H8 | 108.4° | 109.5° |
| C15 | C14 | H9 | 108.5° | 109.5° |
| C14 | C15 | H10 | 109.0° | 109.5° |
| C17 | C16 | C15 | 112.7° | 109.5° |
| C17 | C16 | H11 | 108.6° | 109.5° |
| C17 | C16 | H12 | 108.6° | 109.5° |
| C16 | C17 | H13 | 109.6° | 109.5° |
| C16 | C17 | H14 | 109.6° | 109.5° |
| C16 | C15 | N24 | 111.7° | 109.5° |
| C16 | C15 | H10 | 109.5° | 109.5° |
| C15 | C16 | H11 | 108.7° | 109.5° |
| C15 | C16 | H12 | 108.6° | 109.5° |
| C15 | N24 | C26 | 114.0° | 111.0° |
| N24 | C15 | H10 | 110.0° | 109.5° |
| C15 | N24 | H19 | 108.3° | 111.0° |
| N24 | C26 | C25 | 111.1° | 109.4° |
| N24 | C26 | C27 | 111.1° | 109.4° |
| C26 | N24 | H19 | 108.3° | 111.0° |
| N24 | C26 | H21 | 110.0° | 109.4° |
| O37 | C25 | C26 | 120.5° | 120.0° |
| O37 | C25 | N38 | 120.6° | 120.0° |
| C29 | C28 | C27 | 109.4° | 109.4° |
| C29 | C28 | C30 | 109.3° | 109.5° |
| C29 | C28 | H24 | 109.6° | 109.4° |
| C28 | C29 | H25 | 109.5° | 109.4° |
| C28 | C29 | H26 | 109.5° | 109.5° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C27 | C28 | C30 | 109.3° | 109.5° |
| C28 | C27 | C26 | 111.8° | 109.4° |
| C28 | C27 | H22 | 108.9° | 109.5° |
| C28 | C27 | H23 | 108.9° | 109.5° |
| C27 | C28 | H24 | 109.3° | 109.5° |
| C30 | C28 | H24 | 109.9° | 109.5° |
| C28 | C30 | H28 | 109.5° | 109.5° |
| C28 | C30 | H29 | 109.5° | 109.5° |
| C28 | C30 | H30 | 109.5° | 109.5° |
| C25 | C26 | C27 | 106.2° | 109.5° |
| C26 | C25 | N38 | 119.0° | 120.0° |
| C25 | C26 | H21 | 109.6° | 109.5° |
| C27 | C26 | H21 | 108.8° | 109.5° |
| C26 | C27 | H22 | 108.9° | 109.5° |
| C26 | C27 | H23 | 108.9° | 109.5° |
| C25 | N38 | H36 | 120.0° | 120.0° |
| C25 | N38 | H37 | 120.0° | 120.0° |
| H3 | N10 | H4 | 109.5° | 120.0° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.4° | 109.5° |
| H22 | C27 | H23 | 109.4° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.4° |
| H25 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.4° |
| H28 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H36 | N38 | H37 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C35 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | H32 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.7° | 0.2° |
| C34 | C33 | C32 | C31 | 0.1° | 0.0° |
| C34 | C33 | C32 | H31 | 179.9° | 179.9° |
| C33 | C34 | C35 | H34 | 179.3° | 179.9° |
| C35 | C34 | C33 | C32 | 0.7° | 0.0° |
| C34 | C35 | C36 | H34 | 180.0° | 179.7° |
| C34 | C35 | C36 | C31 | 0.1° | 0.5° |
| C35 | C34 | C33 | H32 | 179.2° | 179.9° |
| C34 | C35 | C36 | H35 | 179.9° | 180.0° |
| C33 | C32 | C31 | H31 | 180.0° | 180.0° |
| C33 | C32 | C31 | C36 | 0.9° | 0.2° |
| C33 | C32 | C31 | O23 | 178.4° | 180.0° |
| C32 | C33 | C34 | H33 | 179.2° | 180.0° |
| C35 | C36 | C31 | C32 | 0.9° | 0.5° |
| C35 | C36 | C31 | H35 | 180.0° | 179.5° |
| C35 | C36 | C31 | O23 | 178.4° | 179.7° |
| C36 | C35 | C34 | H33 | 179.2° | 179.7° |
| C32 | C31 | C36 | O23 | 177.5° | 179.7° |
| C32 | C31 | O23 | C20 | 38.5° | 173.9° |
| C31 | C32 | C33 | H32 | 179.9° | 179.9° |
| C32 | C31 | C36 | H35 | 179.1° | 180.0° |
| C36 | C31 | O23 | C20 | 144.0° | 5.9° |
| C36 | C31 | C32 | H31 | 179.1° | 179.8° |
| C31 | C36 | C35 | H34 | 179.9° | 179.8° |
| C31 | O23 | C20 | C19 | 48.1° | 112.5° |
| C31 | O23 | C20 | C21 | 135.6° | 67.4° |
| O23 | C31 | C32 | H31 | 1.6° | 0.0° |
| O23 | C31 | C36 | H35 | 1.6° | 0.3° |
| N10 | C3 | N4 | C2 | 179.3° | 180.0° |
| N10 | C3 | N4 | C5 | 179.1° | 180.0° |
| N10 | C3 | C2 | C9 | 0.2° | 0.0° |
| N10 | C3 | C2 | C1 | 178.8° | 179.9° |
| C3 | N10 | H3 | H4 | 120.0° | 180.0° |
| O23 | C20 | C19 | C21 | 176.2° | 179.9° |
| O23 | C20 | C19 | C18 | 177.5° | 180.0° |
| O23 | C20 | C21 | C22 | 177.9° | 180.0° |
| O23 | C20 | C19 | H16 | 2.5° | 0.0° |
| O23 | C20 | C21 | H17 | 2.1° | 0.0° |
| C20 | C19 | C18 | H16 | 180.0° | 180.0° |
| C20 | C19 | C18 | C11 | 0.0° | 0.1° |
| C19 | C20 | C21 | C22 | 1.5° | 0.1° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | H17 | 178.5° | 179.9° |
| C18 | C19 | C20 | C21 | 1.3° | 0.1° |
| C19 | C18 | C11 | H15 | 180.0° | 179.9° |
| C19 | C18 | C11 | C22 | 1.1° | 0.0° |
| C19 | C18 | C11 | C9 | 178.9° | 179.8° |
| C20 | C21 | C22 | H17 | 180.0° | 180.0° |
| C20 | C21 | C22 | C11 | 0.4° | 0.1° |
| C21 | C20 | C19 | H16 | 178.7° | 179.9° |
| C20 | C21 | C22 | H18 | 179.6° | 179.7° |
| C18 | C11 | C22 | C21 | 0.9° | 0.0° |
| C18 | C11 | C22 | C9 | 177.9° | 179.7° |
| C18 | C11 | C9 | C2 | 132.6° | 49.7° |
| C18 | C11 | C9 | C8 | 50.1° | 130.4° |
| C11 | C18 | C19 | H16 | 180.0° | 180.0° |
| C18 | C11 | C22 | H18 | 179.1° | 179.7° |
| N4 | C3 | C2 | C9 | 179.0° | 180.0° |
| N4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | N4 | C5 | N6 | 0.1° | 0.0° |
| C3 | N4 | C5 | H1 | 179.9° | 180.0° |
| N4 | C3 | N10 | H3 | 0.0° | 0.0° |
| N4 | C3 | N10 | H4 | 120.0° | 180.0° |
| C2 | C3 | N4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C9 | C11 | 2.6° | 0.0° |
| C3 | C2 | C9 | C1 | 178.6° | 180.0° |
| C3 | C2 | C9 | C8 | 179.6° | 179.9° |
| C3 | C2 | C1 | N6 | 0.5° | 0.0° |
| C3 | C2 | C1 | N7 | 179.6° | 179.8° |
| C2 | C3 | N10 | H3 | 179.3° | 180.0° |
| C2 | C3 | N10 | H4 | 60.7° | 0.0° |
| N4 | C5 | N6 | H1 | 180.0° | 179.9° |
| N4 | C5 | N6 | C1 | 0.2° | 0.0° |
| C21 | C22 | C11 | H18 | 180.0° | 179.7° |
| C21 | C22 | C11 | C9 | 178.8° | 179.8° |
| C22 | C11 | C9 | C2 | 49.5° | 130.0° |
| C22 | C11 | C9 | C8 | 127.8° | 49.9° |
| C22 | C11 | C18 | H15 | 178.9° | 179.9° |
| C11 | C22 | C21 | H17 | 179.6° | 180.0° |
| C11 | C9 | C2 | C8 | 177.7° | 179.9° |
| C11 | C9 | C2 | C1 | 178.7° | 180.0° |
| C11 | C9 | C8 | N7 | 178.1° | 179.8° |
| C11 | C9 | C8 | H2 | 1.8° | 0.1° |
| C9 | C11 | C18 | H15 | 1.1° | 0.3° |
| C9 | C11 | C22 | H18 | 1.2° | 0.0° |
| C9 | C2 | C1 | N6 | 179.6° | 180.0° |
| C9 | C2 | C1 | N7 | 1.3° | 0.2° |
| C2 | C9 | C8 | N7 | 0.3° | 0.1° |
| C2 | C9 | C8 | H2 | 179.7° | 179.8° |
| C2 | C1 | N6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C9 | C8 | 1.0° | 0.1° |
| C2 | C1 | N6 | N7 | 178.9° | 179.8° |
| C2 | C1 | N7 | C8 | 1.4° | 0.2° |
| C2 | C1 | N7 | C12 | 178.8° | 179.8° |
| C5 | N6 | C1 | N7 | 179.1° | 179.8° |
| C9 | C8 | N7 | C1 | 0.7° | 0.2° |
| C9 | C8 | N7 | H2 | 180.0° | 179.8° |
| C9 | C8 | N7 | C12 | 178.1° | 179.8° |
| N6 | C1 | N7 | C8 | 179.5° | 180.0° |
| N6 | C1 | N7 | C12 | 2.2° | 0.0° |
| C1 | N6 | C5 | H1 | 179.8° | 179.9° |
| C1 | N7 | C8 | C12 | 177.4° | 180.0° |
| C1 | N7 | C12 | C13 | 135.3° | 120.0° |
| C1 | N7 | C12 | C17 | 104.8° | 120.0° |
| C1 | N7 | C8 | H2 | 179.3° | 180.0° |
| C1 | N7 | C12 | H5 | 17.5° | 0.0° |
| C8 | N7 | C12 | C13 | 42.1° | 60.0° |
| C8 | N7 | C12 | C17 | 77.8° | 60.0° |
| C8 | N7 | C12 | H5 | 160.0° | 180.0° |
| N7 | C12 | C13 | C17 | 125.3° | 120.0° |
| N7 | C12 | C13 | H5 | 118.1° | 120.0° |
| N7 | C12 | C13 | C14 | 172.6° | 180.0° |
| N7 | C12 | C17 | H5 | 122.5° | 120.0° |
| N7 | C12 | C17 | C16 | 175.0° | 180.0° |
| C12 | N7 | C8 | H2 | 1.9° | 0.0° |
| N7 | C12 | C13 | H6 | 52.5° | 60.0° |
| N7 | C12 | C13 | H7 | 67.2° | 59.9° |
| N7 | C12 | C17 | H13 | 65.1° | 60.0° |
| N7 | C12 | C17 | H14 | 55.1° | 60.0° |
| C12 | C13 | C14 | H6 | 120.1° | 120.0° |
| C12 | C13 | C14 | H7 | 120.1° | 120.0° |
| C13 | C12 | C17 | H5 | 116.6° | 120.0° |
| C12 | C13 | C14 | C15 | 56.3° | 60.0° |
| C13 | C12 | C17 | C16 | 64.2° | 60.0° |
| C12 | C13 | H6 | H7 | 119.6° | 119.9° |
| C12 | C13 | C14 | H8 | 64.3° | 60.0° |
| C12 | C13 | C14 | H9 | 176.9° | 180.0° |
| C13 | C12 | C17 | H13 | 55.8° | 60.0° |
| C13 | C12 | C17 | H14 | 175.9° | 180.0° |
| C14 | C13 | C12 | C17 | 62.1° | 60.0° |
| C13 | C14 | C15 | H8 | 120.6° | 120.1° |
| C13 | C14 | C15 | H9 | 120.6° | 120.0° |
| C13 | C14 | C15 | C16 | 49.8° | 60.0° |
| C13 | C14 | C15 | N24 | 171.0° | 180.0° |
| C14 | C13 | C12 | H5 | 54.5° | 60.0° |
| C14 | C13 | H6 | H7 | 119.6° | 120.1° |
| C13 | C14 | H8 | H9 | 118.2° | 120.0° |
| C13 | C14 | C15 | H10 | 69.8° | 60.0° |
| C12 | C17 | C16 | H13 | 120.0° | 120.0° |
| C12 | C17 | C16 | H14 | 119.9° | 120.0° |
| C12 | C17 | C16 | C15 | 61.6° | 60.0° |
| C17 | C12 | C13 | H6 | 177.8° | 180.0° |
| C17 | C12 | C13 | H7 | 58.0° | 60.0° |
| C12 | C17 | C16 | H11 | 178.0° | 60.0° |
| C12 | C17 | C16 | H12 | 58.9° | 180.0° |
| C12 | C17 | H13 | H14 | 120.2° | 120.0° |
| C14 | C15 | C16 | C17 | 52.2° | 60.0° |
| C14 | C15 | C16 | N24 | 118.6° | 120.0° |
| C14 | C15 | C16 | H10 | 119.2° | 120.0° |
| C14 | C15 | N24 | H10 | 118.5° | 120.1° |
| C14 | C15 | N24 | C26 | 170.0° | 155.0° |
| C15 | C14 | C13 | H6 | 176.4° | 180.0° |
| C15 | C14 | C13 | H7 | 63.9° | 59.9° |
| C15 | C14 | H8 | H9 | 118.2° | 120.0° |
| C14 | C15 | C16 | H11 | 172.6° | 60.0° |
| C14 | C15 | C16 | H12 | 68.3° | 180.0° |
| C14 | C15 | N24 | H19 | 69.3° | 81.0° |
| C17 | C16 | C15 | H11 | 120.5° | 120.1° |
| C17 | C16 | C15 | H12 | 120.5° | 120.0° |
| C17 | C16 | C15 | N24 | 170.7° | 180.0° |
| C16 | C17 | C12 | H5 | 52.5° | 60.0° |
| C17 | C16 | C15 | H10 | 67.1° | 60.0° |
| C17 | C16 | H11 | H12 | 118.5° | 120.0° |
| C16 | C17 | H13 | H14 | 120.2° | 120.0° |
| C16 | C15 | N24 | H10 | 121.9° | 120.0° |
| C16 | C15 | N24 | C26 | 70.4° | 85.0° |
| C16 | C15 | C14 | H8 | 70.9° | 60.0° |
| C16 | C15 | C14 | H9 | 170.4° | 180.0° |
| C15 | C16 | H11 | H12 | 118.5° | 120.0° |
| C15 | C16 | C17 | H13 | 58.4° | 59.9° |
| C15 | C16 | C17 | H14 | 178.5° | 180.0° |
| C16 | C15 | N24 | H19 | 50.3° | 38.9° |
| C15 | N24 | C26 | H19 | 120.7° | 124.0° |
| C15 | N24 | C26 | C25 | 85.0° | 85.0° |
| C15 | N24 | C26 | C27 | 157.1° | 155.0° |
| N24 | C15 | C14 | H8 | 50.4° | 59.9° |
| N24 | C15 | C14 | H9 | 68.4° | 60.0° |
| N24 | C15 | C16 | H11 | 68.8° | 59.9° |
| N24 | C15 | C16 | H12 | 50.3° | 60.0° |
| C15 | N24 | C26 | H21 | 36.6° | 35.0° |
| N24 | C26 | C25 | O37 | 6.3° | 0.0° |
| N24 | C26 | C27 | C28 | 44.2° | 65.0° |
| N24 | C26 | C25 | C27 | 120.9° | 119.9° |
| N24 | C26 | C25 | H21 | 121.8° | 120.0° |
| N24 | C26 | C27 | H21 | 121.2° | 120.0° |
| N24 | C26 | C25 | N38 | 174.1° | 180.0° |
| C26 | N24 | C15 | H10 | 51.5° | 35.0° |
| N24 | C26 | C27 | H22 | 164.5° | 55.0° |
| N24 | C26 | C27 | H23 | 76.2° | 175.0° |
| O37 | C25 | C26 | N38 | 179.6° | 180.0° |
| O37 | C25 | C26 | C27 | 114.5° | 120.0° |
| O37 | C25 | C26 | H21 | 128.1° | 120.0° |
| O37 | C25 | N38 | H36 | 0.0° | 180.0° |
| O37 | C25 | N38 | H37 | 180.0° | 0.1° |
| C29 | C28 | C27 | C30 | 119.7° | 120.0° |
| C29 | C28 | C27 | H24 | 120.0° | 120.0° |
| C29 | C28 | C30 | H24 | 120.3° | 120.0° |
| C29 | C28 | C27 | C26 | 150.6° | 175.0° |
| C29 | C28 | C27 | H22 | 89.0° | 55.0° |
| C29 | C28 | C27 | H23 | 30.3° | 65.0° |
| C28 | C29 | H25 | H26 | 120.0° | 120.0° |
| C28 | C29 | H25 | H27 | 120.0° | 120.1° |
| C28 | C29 | H26 | H27 | 120.0° | 120.1° |
| C29 | C28 | C30 | H28 | 180.0° | 180.0° |
| C29 | C28 | C30 | H29 | 60.0° | 60.0° |
| C29 | C28 | C30 | H30 | 60.0° | 60.0° |
| C27 | C28 | C30 | H24 | 119.9° | 120.0° |
| C28 | C27 | C26 | C25 | 165.1° | 175.0° |
| C28 | C27 | C26 | H22 | 120.4° | 120.0° |
| C28 | C27 | C26 | H23 | 120.4° | 120.0° |
| C28 | C27 | C26 | H21 | 77.0° | 54.9° |
| C28 | C27 | H22 | H23 | 118.9° | 120.0° |
| C27 | C28 | C29 | H25 | 180.0° | 60.1° |
| C27 | C28 | C29 | H26 | 60.0° | 180.0° |
| C27 | C28 | C29 | H27 | 60.0° | 60.0° |
| C27 | C28 | C30 | H28 | 60.2° | 60.0° |
| C27 | C28 | C30 | H29 | 179.8° | 180.0° |
| C27 | C28 | C30 | H30 | 59.8° | 60.0° |
| C30 | C28 | C27 | C26 | 89.6° | 65.0° |
| C30 | C28 | C27 | H22 | 30.7° | 175.0° |
| C30 | C28 | C27 | H23 | 150.0° | 55.0° |
| C30 | C28 | C29 | H25 | 60.3° | 60.0° |
| C30 | C28 | C29 | H26 | 179.7° | 60.0° |
| C30 | C28 | C29 | H27 | 59.7° | 180.0° |
| C28 | C30 | H28 | H29 | 120.0° | 120.0° |
| C28 | C30 | H28 | H30 | 120.0° | 120.0° |
| C28 | C30 | H29 | H30 | 120.0° | 120.0° |
| C25 | C26 | C27 | H21 | 117.9° | 120.1° |
| C25 | C26 | N24 | H19 | 154.3° | 151.0° |
| C25 | C26 | C27 | H22 | 74.5° | 64.9° |
| C25 | C26 | C27 | H23 | 44.7° | 55.0° |
| C26 | C25 | N38 | H36 | 179.6° | 0.0° |
| C26 | C25 | N38 | H37 | 0.5° | 179.9° |
| C27 | C26 | C25 | N38 | 65.0° | 60.0° |
| C27 | C26 | N24 | H19 | 36.4° | 31.1° |
| C26 | C27 | H22 | H23 | 118.9° | 120.0° |
| C26 | C27 | C28 | H24 | 30.6° | 55.0° |
| N38 | C25 | C26 | H21 | 52.3° | 60.1° |
| C25 | N38 | H36 | H37 | 179.9° | 179.9° |
| H5 | C12 | C13 | H6 | 65.7° | 60.0° |
| H5 | C12 | C13 | H7 | 174.6° | 180.0° |
| H5 | C12 | C17 | H13 | 172.4° | 180.0° |
| H5 | C12 | C17 | H14 | 67.5° | 60.0° |
| H6 | C13 | C14 | H8 | 55.8° | 59.9° |
| H6 | C13 | C14 | H9 | 63.0° | 60.0° |
| H7 | C13 | C14 | H8 | 175.5° | 180.0° |
| H7 | C13 | C14 | H9 | 56.8° | 60.1° |
| H8 | C14 | C15 | H10 | 169.6° | 180.0° |
| H9 | C14 | C15 | H10 | 50.8° | 60.0° |
| H10 | C15 | C16 | H11 | 53.4° | 179.9° |
| H10 | C15 | C16 | H12 | 172.5° | 60.0° |
| H10 | C15 | N24 | H19 | 172.2° | 158.9° |
| H11 | C16 | C17 | H13 | 62.1° | 180.0° |
| H11 | C16 | C17 | H14 | 58.0° | 60.0° |
| H12 | C16 | C17 | H13 | 178.9° | 60.0° |
| H12 | C16 | C17 | H14 | 61.0° | 60.0° |
| H15 | C18 | C19 | H16 | 0.0° | 0.1° |
| H17 | C21 | C22 | H18 | 0.4° | 0.3° |
| H19 | N24 | C26 | H21 | 84.1° | 88.9° |
| H21 | C26 | C27 | H22 | 43.4° | 175.0° |
| H21 | C26 | C27 | H23 | 162.6° | 65.0° |
| H22 | C27 | C28 | H24 | 151.0° | 65.0° |
| H23 | C27 | C28 | H24 | 89.8° | 175.0° |
| H24 | C28 | C29 | H25 | 60.2° | 179.9° |
| H24 | C28 | C29 | H26 | 59.8° | 60.0° |
| H24 | C28 | C29 | H27 | 179.8° | 60.0° |
| H24 | C28 | C30 | H28 | 59.7° | 60.0° |
| H24 | C28 | C30 | H29 | 60.3° | 60.0° |
| H24 | C28 | C30 | H30 | 179.7° | 180.0° |
| H25 | C29 | H26 | H27 | 120.0° | 120.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
| H31 | C32 | C33 | H32 | 0.1° | 0.1° |
| H32 | C33 | C34 | H33 | 0.8° | 0.1° |
| H33 | C34 | C35 | H34 | 0.7° | 0.0° |
| H34 | C35 | C36 | H35 | 0.1° | 0.3° |
