38M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C | doub | 1.37Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| C1 | C2 | doub | 1.37Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | doub | 1.41Å | 1.35Å | Aromatic |
| C3 | N7 | sing | 1.35Å | 1.39Å | |
| C6 | C4 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O | C6 | doub | 1.22Å | 1.21Å | |
| C6 | N | sing | 1.35Å | 1.39Å | |
| C9 | N | sing | 1.40Å | 1.36Å | |
| N | C8 | sing | 1.37Å | 1.32Å | |
| C8 | N7 | doub | 1.31Å | 1.36Å | |
| C8 | S | sing | 1.76Å | 1.74Å | |
| S | C15 | sing | 1.81Å | 1.73Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O18 | doub | 1.21Å | 1.22Å | |
| C16 | N19 | sing | 1.35Å | 1.38Å | |
| C17 | C20 | sing | 1.53Å | 1.50Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C23 | N19 | sing | 1.47Å | 1.47Å | |
| N19 | C27 | sing | 1.47Å | 1.50Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | 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 | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | C26 | sing | 1.54Å | 1.53Å | |
| C26 | C7 | sing | 1.53Å | 1.53Å | |
| C26 | C18 | sing | 1.53Å | 1.56Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C35 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| N1 | C35 | sing | 1.47Å | 1.52Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | CL | sing | 1.74Å | 1.72Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C | C1 | 120.1° | 120.7° |
| C5 | C | H | 119.9° | 119.6° |
| C | C5 | C4 | 118.2° | 119.5° |
| C | C5 | H5 | 120.9° | 120.2° |
| C1 | C | H | 119.9° | 119.6° |
| C | C1 | C2 | 120.0° | 121.0° |
| C | C1 | H1 | 120.0° | 119.5° |
| C2 | C1 | H1 | 120.0° | 119.5° |
| C1 | C2 | C3 | 120.2° | 119.7° |
| C1 | C2 | H2 | 119.9° | 120.2° |
| C3 | C2 | H2 | 119.9° | 120.1° |
| C2 | C3 | C4 | 120.1° | 119.2° |
| C2 | C3 | N7 | 120.1° | 121.6° |
| C4 | C3 | N7 | 119.8° | 119.2° |
| C3 | C4 | C6 | 118.5° | 118.2° |
| C3 | C4 | C5 | 121.2° | 119.9° |
| C3 | N7 | C8 | 121.3° | 121.5° |
| C6 | C4 | C5 | 120.3° | 121.9° |
| C4 | C6 | O | 118.7° | 121.2° |
| C4 | C6 | N | 117.9° | 117.6° |
| C4 | C5 | H5 | 120.9° | 120.2° |
| O | C6 | N | 123.3° | 121.2° |
| C6 | N | C9 | 117.3° | 119.7° |
| C6 | N | C8 | 120.8° | 120.6° |
| C9 | N | C8 | 121.9° | 119.7° |
| N | C9 | C10 | 123.8° | 120.1° |
| N | C9 | C14 | 117.4° | 120.0° |
| N | C8 | N7 | 121.7° | 123.0° |
| N | C8 | S | 116.7° | 118.5° |
| N7 | C8 | S | 121.6° | 118.5° |
| C8 | S | C15 | 109.8° | 100.0° |
| S | C15 | C17 | 101.0° | 109.5° |
| S | C15 | C16 | 109.3° | 109.5° |
| S | C15 | H15 | 116.0° | 109.5° |
| C17 | C15 | C16 | 112.5° | 109.5° |
| C17 | C15 | H15 | 113.0° | 109.4° |
| C15 | C17 | C20 | 112.5° | 109.5° |
| C15 | C17 | H17 | 108.5° | 109.5° |
| C15 | C17 | H17A | 107.8° | 109.5° |
| C16 | C15 | H15 | 105.3° | 109.5° |
| C15 | C16 | O18 | 120.0° | 120.0° |
| C15 | C16 | N19 | 120.7° | 120.0° |
| O18 | C16 | N19 | 119.3° | 120.0° |
| C16 | N19 | C23 | 120.1° | 120.7° |
| C16 | N19 | C27 | 123.1° | 120.6° |
| C20 | C17 | H17 | 108.5° | 109.4° |
| C20 | C17 | H17A | 107.8° | 109.4° |
| C17 | C20 | C21 | 110.6° | 109.5° |
| C17 | C20 | H20 | 109.1° | 109.5° |
| C17 | C20 | H20A | 108.8° | 109.5° |
| H17 | C17 | H17A | 111.8° | 109.5° |
| C23 | N19 | C27 | 116.7° | 118.7° |
| N19 | C23 | C24 | 105.3° | 108.8° |
| N19 | C23 | H23 | 110.9° | 109.6° |
| N19 | C23 | H23A | 111.8° | 109.6° |
| N19 | C27 | C26 | 107.9° | 108.5° |
| N19 | C27 | H27 | 110.0° | 109.6° |
| N19 | C27 | H27A | 110.3° | 109.6° |
| C21 | C20 | H20 | 109.1° | 109.5° |
| C21 | C20 | H20A | 108.9° | 109.5° |
| C20 | C21 | C22 | 110.6° | 109.5° |
| C20 | C21 | H21 | 109.1° | 109.4° |
| C20 | C21 | H21A | 108.8° | 109.4° |
| H20 | C20 | H20A | 110.4° | 109.4° |
| C22 | C21 | H21 | 109.1° | 109.5° |
| C22 | C21 | H21A | 108.9° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.5° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| H21 | C21 | H21A | 110.3° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.4° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| C24 | C23 | H23 | 110.9° | 109.5° |
| C24 | C23 | H23A | 111.8° | 109.6° |
| C23 | C24 | C25 | 113.6° | 109.3° |
| C23 | C24 | H24 | 108.1° | 109.5° |
| C23 | C24 | H24A | 107.2° | 109.5° |
| H23 | C23 | H23A | 106.3° | 109.7° |
| C25 | C24 | H24 | 108.1° | 109.5° |
| C25 | C24 | H24A | 107.2° | 109.5° |
| C24 | C25 | C26 | 117.4° | 109.6° |
| C24 | C25 | H25 | 106.9° | 109.4° |
| C24 | C25 | H25A | 105.1° | 109.4° |
| H24 | C24 | H24A | 112.7° | 109.6° |
| C26 | C25 | H25 | 106.9° | 109.5° |
| C26 | C25 | H25A | 105.1° | 109.5° |
| C25 | C26 | C27 | 112.7° | 109.4° |
| C25 | C26 | C7 | 105.3° | 109.6° |
| C25 | C26 | C18 | 108.2° | 109.5° |
| H25 | C25 | H25A | 115.9° | 109.4° |
| C27 | C26 | C7 | 113.1° | 109.4° |
| C27 | C26 | C18 | 110.2° | 109.5° |
| C26 | C27 | H27 | 110.0° | 109.7° |
| C26 | C27 | H27A | 110.4° | 109.7° |
| C7 | C26 | C18 | 107.0° | 109.4° |
| C26 | C7 | N1 | 116.3° | 109.5° |
| C26 | C7 | H7 | 107.3° | 109.5° |
| C26 | C7 | H7A | 105.7° | 109.4° |
| C26 | C18 | C19 | 111.0° | 109.2° |
| C26 | C18 | H18 | 109.0° | 109.6° |
| C26 | C18 | H18A | 108.7° | 109.5° |
| H27 | C27 | H27A | 108.3° | 109.7° |
| N1 | C7 | H7 | 107.3° | 109.5° |
| N1 | C7 | H7A | 105.7° | 109.4° |
| C7 | N1 | C35 | 111.8° | 111.2° |
| C7 | N1 | HN1 | 108.7° | 111.0° |
| H7 | C7 | H7A | 115.0° | 109.5° |
| C19 | C18 | H18 | 109.0° | 109.6° |
| C19 | C18 | H18A | 108.6° | 109.5° |
| C18 | C19 | C35 | 107.9° | 109.3° |
| C18 | C19 | H19 | 110.0° | 109.5° |
| C18 | C19 | H19A | 110.4° | 109.5° |
| H18 | C18 | H18A | 110.6° | 109.5° |
| C35 | C19 | H19 | 110.0° | 109.5° |
| C35 | C19 | H19A | 110.3° | 109.6° |
| C19 | C35 | N1 | 107.0° | 109.6° |
| C19 | C35 | H35 | 110.3° | 109.5° |
| C19 | C35 | H35A | 110.8° | 109.5° |
| H19 | C19 | H19A | 108.3° | 109.5° |
| C35 | N1 | HN1 | 108.7° | 111.0° |
| N1 | C35 | H35 | 110.3° | 109.4° |
| N1 | C35 | H35A | 110.8° | 109.4° |
| H35 | C35 | H35A | 107.6° | 109.4° |
| C10 | C9 | C14 | 118.8° | 119.9° |
| C9 | C10 | C11 | 121.2° | 119.9° |
| C9 | C10 | H10 | 119.4° | 120.0° |
| C9 | C14 | C13 | 118.8° | 119.9° |
| C9 | C14 | H14 | 120.6° | 120.0° |
| C11 | C10 | H10 | 119.4° | 120.1° |
| C10 | C11 | C12 | 120.4° | 120.1° |
| C10 | C11 | H11 | 119.8° | 119.9° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 117.6° | 120.1° |
| C11 | C12 | H12 | 121.2° | 119.9° |
| C13 | C12 | H12 | 121.2° | 119.9° |
| C12 | C13 | CL | 119.9° | 120.0° |
| C12 | C13 | C14 | 123.1° | 120.0° |
| CL | C13 | C14 | 116.9° | 120.0° |
| C13 | C14 | H14 | 120.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C | C1 | H | 180.0° | 179.7° |
| C5 | C | C1 | C2 | 0.1° | 0.3° |
| C5 | C | C1 | H1 | 179.9° | 179.8° |
| C | C5 | C4 | C3 | 2.3° | 0.5° |
| C | C5 | C4 | C6 | 177.7° | 179.7° |
| C | C5 | C4 | H5 | 180.0° | 179.5° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 2.9° | 0.0° |
| C | C1 | C2 | H2 | 177.2° | 180.0° |
| C1 | C | C5 | C4 | 2.4° | 0.6° |
| C1 | C | C5 | H5 | 177.6° | 179.9° |
| H | C | C1 | C2 | 179.9° | 180.0° |
| H | C | C1 | H1 | 0.1° | 0.1° |
| H | C | C5 | C4 | 177.6° | 179.8° |
| H | C | C5 | H5 | 2.4° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.0° | 0.0° |
| C1 | C2 | C3 | N7 | 177.1° | 180.0° |
| H1 | C1 | C2 | C3 | 177.1° | 180.0° |
| H1 | C1 | C2 | H2 | 2.9° | 0.0° |
| C2 | C3 | C4 | N7 | 179.9° | 179.9° |
| C2 | C3 | C4 | C6 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.3° |
| C2 | C3 | N7 | C8 | 178.3° | 180.0° |
| H2 | C2 | C3 | C4 | 177.0° | 180.0° |
| H2 | C2 | C3 | N7 | 2.9° | 0.0° |
| C3 | C4 | C6 | C5 | 180.0° | 179.8° |
| C3 | C4 | C5 | H5 | 177.7° | 180.0° |
| C3 | C4 | C6 | O | 177.8° | 180.0° |
| C3 | C4 | C6 | N | 1.8° | 0.1° |
| C4 | C3 | N7 | C8 | 1.8° | 0.0° |
| N7 | C3 | C4 | C6 | 0.3° | 0.0° |
| N7 | C3 | C4 | C5 | 179.7° | 179.8° |
| C3 | N7 | C8 | N | 2.4° | 0.0° |
| C3 | N7 | C8 | S | 178.2° | 180.0° |
| C6 | C4 | C5 | H5 | 2.3° | 0.2° |
| C4 | C6 | O | N | 175.8° | 179.9° |
| C4 | C6 | N | C9 | 177.0° | 180.0° |
| C4 | C6 | N | C8 | 1.2° | 0.1° |
| C5 | C4 | C6 | O | 2.2° | 0.2° |
| C5 | C4 | C6 | N | 178.2° | 179.7° |
| O | C6 | N | C9 | 1.2° | 0.1° |
| O | C6 | N | C8 | 177.1° | 180.0° |
| C6 | N | C9 | C8 | 178.3° | 179.9° |
| C6 | N | C8 | N7 | 0.8° | 0.0° |
| C6 | N | C8 | S | 179.7° | 180.0° |
| C6 | N | C9 | C10 | 116.6° | 101.4° |
| C6 | N | C9 | C14 | 61.9° | 78.9° |
| C9 | N | C8 | N7 | 179.0° | 180.0° |
| C9 | N | C8 | S | 1.5° | 0.0° |
| N | C9 | C10 | C14 | 178.5° | 179.7° |
| N | C9 | C10 | C11 | 178.5° | 180.0° |
| N | C9 | C10 | H10 | 1.5° | 0.0° |
| N | C9 | C14 | C13 | 179.8° | 179.8° |
| N | C9 | C14 | H14 | 0.2° | 0.4° |
| N | C8 | N7 | S | 179.4° | 180.0° |
| N | C8 | S | C15 | 169.5° | 174.8° |
| C8 | N | C9 | C10 | 65.1° | 78.5° |
| C8 | N | C9 | C14 | 116.4° | 101.2° |
| N7 | C8 | S | C15 | 10.0° | 5.2° |
| C8 | S | C15 | C17 | 179.8° | 165.9° |
| C8 | S | C15 | C16 | 61.5° | 74.1° |
| C8 | S | C15 | H15 | 57.3° | 45.9° |
| S | C15 | C17 | C16 | 116.4° | 120.0° |
| S | C15 | C17 | H15 | 124.6° | 120.0° |
| S | C15 | C16 | H15 | 125.2° | 120.0° |
| S | C15 | C16 | O18 | 51.0° | 20.0° |
| S | C15 | C16 | N19 | 129.7° | 160.0° |
| S | C15 | C17 | C20 | 161.3° | 64.6° |
| S | C15 | C17 | H17 | 41.3° | 55.4° |
| S | C15 | C17 | H17A | 80.0° | 175.4° |
| C17 | C15 | C16 | H15 | 123.4° | 120.0° |
| C17 | C15 | C16 | O18 | 60.3° | 100.0° |
| C17 | C15 | C16 | N19 | 119.0° | 79.9° |
| C15 | C17 | C20 | H17 | 120.0° | 120.0° |
| C15 | C17 | C20 | H17A | 118.7° | 120.0° |
| C15 | C17 | H17 | H17A | 118.8° | 120.1° |
| C15 | C17 | C20 | C21 | 177.4° | 174.6° |
| C15 | C17 | C20 | H20 | 62.6° | 65.4° |
| C15 | C17 | C20 | H20A | 57.8° | 54.6° |
| C15 | C16 | O18 | N19 | 179.3° | 179.9° |
| C16 | C15 | C17 | C20 | 82.2° | 175.4° |
| C16 | C15 | C17 | H17 | 157.7° | 64.7° |
| C16 | C15 | C17 | H17A | 36.5° | 55.4° |
| C15 | C16 | N19 | C23 | 0.5° | 0.2° |
| C15 | C16 | N19 | C27 | 179.1° | 180.0° |
| H15 | C15 | C16 | O18 | 176.3° | 140.0° |
| H15 | C15 | C16 | N19 | 4.4° | 40.0° |
| H15 | C15 | C17 | C20 | 36.8° | 55.3° |
| H15 | C15 | C17 | H17 | 83.2° | 175.3° |
| H15 | C15 | C17 | H17A | 155.5° | 64.6° |
| O18 | C16 | N19 | C23 | 178.8° | 179.7° |
| O18 | C16 | N19 | C27 | 0.2° | 0.0° |
| C16 | N19 | C23 | C27 | 178.7° | 179.8° |
| C16 | N19 | C23 | C24 | 112.4° | 126.3° |
| C16 | N19 | C23 | H23 | 127.6° | 6.6° |
| C16 | N19 | C23 | H23A | 9.2° | 113.9° |
| C16 | N19 | C27 | C26 | 112.3° | 126.4° |
| C16 | N19 | C27 | H27 | 7.7° | 113.8° |
| C16 | N19 | C27 | H27A | 127.1° | 6.6° |
| C20 | C17 | H17 | H17A | 118.8° | 119.9° |
| C17 | C20 | C21 | H20 | 120.0° | 120.0° |
| C17 | C20 | C21 | H20A | 119.5° | 120.0° |
| C17 | C20 | H20 | H20A | 119.5° | 120.0° |
| C17 | C20 | C21 | C22 | 94.5° | 180.0° |
| C17 | C20 | C21 | H21 | 145.5° | 60.0° |
| C17 | C20 | C21 | H21A | 25.1° | 60.1° |
| H17 | C17 | C20 | C21 | 57.3° | 54.5° |
| H17 | C17 | C20 | H20 | 177.4° | 174.6° |
| H17 | C17 | C20 | H20A | 62.2° | 65.5° |
| H17A | C17 | C20 | C21 | 63.9° | 65.4° |
| H17A | C17 | C20 | H20 | 56.1° | 54.6° |
| H17A | C17 | C20 | H20A | 176.6° | 174.6° |
| N19 | C23 | C24 | H23 | 120.0° | 119.7° |
| N19 | C23 | C24 | H23A | 121.6° | 119.9° |
| N19 | C23 | H23 | H23A | 121.7° | 120.4° |
| N19 | C23 | C24 | C25 | 48.5° | 54.7° |
| N19 | C23 | C24 | H24 | 168.5° | 65.2° |
| N19 | C23 | C24 | H24A | 69.7° | 174.6° |
| C23 | N19 | C27 | C26 | 66.4° | 53.8° |
| C23 | N19 | C27 | H27 | 173.6° | 66.0° |
| C23 | N19 | C27 | H27A | 54.2° | 173.6° |
| C27 | N19 | C23 | C24 | 66.4° | 54.0° |
| C27 | N19 | C23 | H23 | 53.6° | 173.7° |
| C27 | N19 | C23 | H23A | 172.0° | 65.9° |
| N19 | C27 | C26 | C25 | 46.0° | 54.8° |
| N19 | C27 | C26 | H27 | 120.0° | 119.8° |
| N19 | C27 | C26 | H27A | 120.6° | 119.7° |
| N19 | C27 | C26 | C7 | 73.2° | 174.9° |
| N19 | C27 | C26 | C18 | 167.1° | 65.2° |
| N19 | C27 | H27 | H27A | 120.6° | 120.4° |
| C21 | C20 | H20 | H20A | 119.6° | 120.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 119.5° | 119.9° |
| C20 | C21 | H21 | H21A | 119.5° | 119.9° |
| C20 | C21 | C22 | H22 | 58.2° | 180.0° |
| C20 | C21 | C22 | H22A | 178.2° | 60.0° |
| C20 | C21 | C22 | H22B | 61.7° | 60.1° |
| H20 | C20 | C21 | C22 | 25.5° | 59.9° |
| H20 | C20 | C21 | H21 | 94.5° | 180.0° |
| H20 | C20 | C21 | H21A | 145.1° | 60.0° |
| H20A | C20 | C21 | C22 | 146.0° | 60.0° |
| H20A | C20 | C21 | H21 | 26.0° | 60.0° |
| H20A | C20 | C21 | H21A | 94.4° | 180.0° |
| C22 | C21 | H21 | H21A | 119.6° | 120.1° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| H21 | C21 | C22 | H22 | 61.8° | 60.0° |
| H21 | C21 | C22 | H22A | 58.2° | 179.9° |
| H21 | C21 | C22 | H22B | 178.3° | 59.9° |
| H21A | C21 | C22 | H22 | 177.8° | 60.1° |
| H21A | C21 | C22 | H22A | 62.2° | 59.9° |
| H21A | C21 | C22 | H22B | 57.8° | 180.0° |
| H22 | C22 | H22A | H22B | 120.0° | 119.9° |
| C24 | C23 | H23 | H23A | 121.7° | 120.3° |
| C23 | C24 | C25 | H24 | 120.0° | 119.9° |
| C23 | C24 | C25 | H24A | 118.2° | 119.9° |
| C23 | C24 | H24 | H24A | 118.3° | 120.1° |
| C23 | C24 | C25 | C26 | 38.5° | 61.3° |
| C23 | C24 | C25 | H25 | 81.5° | 178.7° |
| C23 | C24 | C25 | H25A | 154.8° | 58.8° |
| H23 | C23 | C24 | C25 | 71.5° | 174.4° |
| H23 | C23 | C24 | H24 | 48.5° | 54.5° |
| H23 | C23 | C24 | H24A | 170.3° | 65.7° |
| H23A | C23 | C24 | C25 | 170.1° | 65.2° |
| H23A | C23 | C24 | H24 | 69.9° | 174.9° |
| H23A | C23 | C24 | H24A | 51.9° | 54.7° |
| C25 | C24 | H24 | H24A | 118.3° | 120.1° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 116.3° | 120.0° |
| C24 | C25 | H25 | H25A | 116.7° | 119.9° |
| C24 | C25 | C26 | C27 | 36.8° | 61.4° |
| C24 | C25 | C26 | C7 | 86.8° | 178.6° |
| C24 | C25 | C26 | C18 | 159.0° | 58.6° |
| H24 | C24 | C25 | C26 | 158.5° | 58.7° |
| H24 | C24 | C25 | H25 | 38.5° | 61.4° |
| H24 | C24 | C25 | H25A | 85.3° | 178.7° |
| H24A | C24 | C25 | C26 | 79.7° | 178.9° |
| H24A | C24 | C25 | H25 | 160.3° | 58.8° |
| H24A | C24 | C25 | H25A | 36.5° | 61.1° |
| C26 | C25 | H25 | H25A | 116.7° | 120.0° |
| C25 | C26 | C27 | C7 | 119.2° | 120.1° |
| C25 | C26 | C27 | C18 | 121.1° | 120.0° |
| C25 | C26 | C7 | C18 | 115.0° | 120.1° |
| C25 | C26 | C27 | H27 | 166.0° | 65.0° |
| C25 | C26 | C27 | H27A | 74.6° | 174.5° |
| C25 | C26 | C7 | N1 | 163.8° | 179.2° |
| C25 | C26 | C7 | H7 | 43.8° | 59.2° |
| C25 | C26 | C7 | H7A | 79.3° | 60.8° |
| C25 | C26 | C18 | C19 | 168.1° | 177.7° |
| C25 | C26 | C18 | H18 | 71.9° | 62.3° |
| C25 | C26 | C18 | H18A | 48.7° | 57.9° |
| H25 | C25 | C26 | C27 | 83.2° | 178.6° |
| H25 | C25 | C26 | C7 | 153.2° | 58.6° |
| H25 | C25 | C26 | C18 | 39.0° | 61.4° |
| H25A | C25 | C26 | C27 | 153.1° | 58.6° |
| H25A | C25 | C26 | C7 | 29.5° | 61.4° |
| H25A | C25 | C26 | C18 | 84.7° | 178.7° |
| C27 | C26 | C7 | C18 | 121.6° | 120.0° |
| C26 | C27 | H27 | H27A | 120.7° | 120.5° |
| C27 | C26 | C7 | N1 | 72.8° | 60.8° |
| C27 | C26 | C7 | H7 | 167.2° | 179.1° |
| C27 | C26 | C7 | H7A | 44.1° | 59.1° |
| C27 | C26 | C18 | C19 | 68.2° | 62.3° |
| C27 | C26 | C18 | H18 | 51.8° | 57.6° |
| C27 | C26 | C18 | H18A | 172.4° | 177.8° |
| C7 | C26 | C27 | H27 | 46.8° | 55.1° |
| C7 | C26 | C27 | H27A | 166.2° | 65.4° |
| C26 | C7 | N1 | H7 | 120.0° | 120.0° |
| C26 | C7 | N1 | H7A | 116.9° | 119.9° |
| C26 | C7 | H7 | H7A | 117.2° | 120.0° |
| C7 | C26 | C18 | C19 | 55.1° | 57.6° |
| C7 | C26 | C18 | H18 | 175.1° | 177.6° |
| C7 | C26 | C18 | H18A | 64.3° | 62.3° |
| C26 | C7 | N1 | C35 | 52.6° | 61.7° |
| C26 | C7 | N1 | HN1 | 172.6° | 174.2° |
| C18 | C26 | C27 | H27 | 72.9° | 175.0° |
| C18 | C26 | C27 | H27A | 46.5° | 54.5° |
| C18 | C26 | C7 | N1 | 48.8° | 59.2° |
| C18 | C26 | C7 | H7 | 71.2° | 60.9° |
| C18 | C26 | C7 | H7A | 165.7° | 179.1° |
| C26 | C18 | C19 | H18 | 120.0° | 120.0° |
| C26 | C18 | C19 | H18A | 119.4° | 119.9° |
| C26 | C18 | H18 | H18A | 119.4° | 120.1° |
| C26 | C18 | C19 | C35 | 66.0° | 57.5° |
| C26 | C18 | C19 | H19 | 54.0° | 62.4° |
| C26 | C18 | C19 | H19A | 173.4° | 177.5° |
| N1 | C7 | H7 | H7A | 117.2° | 120.0° |
| C7 | N1 | C35 | C19 | 58.1° | 61.7° |
| C7 | N1 | C35 | HN1 | 120.0° | 124.1° |
| C7 | N1 | C35 | H35 | 178.0° | 178.2° |
| C7 | N1 | C35 | H35A | 62.9° | 58.3° |
| H7 | C7 | N1 | C35 | 67.4° | 58.3° |
| H7 | C7 | N1 | HN1 | 52.6° | 65.8° |
| H7A | C7 | N1 | C35 | 169.5° | 178.4° |
| H7A | C7 | N1 | HN1 | 70.5° | 54.3° |
| C19 | C18 | H18 | H18A | 119.4° | 120.1° |
| C18 | C19 | C35 | H19 | 120.0° | 119.9° |
| C18 | C19 | C35 | H19A | 120.6° | 120.0° |
| C18 | C19 | H19 | H19A | 120.7° | 120.1° |
| C18 | C19 | C35 | N1 | 65.1° | 59.1° |
| C18 | C19 | C35 | H35 | 174.9° | 179.2° |
| C18 | C19 | C35 | H35A | 55.9° | 60.9° |
| H18 | C18 | C19 | C35 | 174.0° | 177.5° |
| H18 | C18 | C19 | H19 | 66.0° | 57.6° |
| H18 | C18 | C19 | H19A | 53.4° | 62.5° |
| H18A | C18 | C19 | C35 | 53.4° | 62.4° |
| H18A | C18 | C19 | H19 | 173.4° | 177.7° |
| H18A | C18 | C19 | H19A | 67.2° | 57.6° |
| C35 | C19 | H19 | H19A | 120.6° | 120.1° |
| C19 | C35 | N1 | H35 | 120.0° | 120.1° |
| C19 | C35 | N1 | H35A | 120.9° | 120.0° |
| C19 | C35 | N1 | HN1 | 178.0° | 174.2° |
| C19 | C35 | H35 | H35A | 121.0° | 119.9° |
| H19 | C19 | C35 | N1 | 54.9° | 60.7° |
| H19 | C19 | C35 | H35 | 65.1° | 59.3° |
| H19 | C19 | C35 | H35A | 175.8° | 179.2° |
| H19A | C19 | C35 | N1 | 174.3° | 179.1° |
| H19A | C19 | C35 | H35 | 54.3° | 60.8° |
| H19A | C19 | C35 | H35A | 64.8° | 59.1° |
| N1 | C35 | H35 | H35A | 121.0° | 119.9° |
| HN1 | N1 | C35 | H35 | 62.0° | 54.1° |
| HN1 | N1 | C35 | H35A | 57.1° | 65.8° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.1° | 0.0° |
| C9 | C10 | C11 | H11 | 178.9° | 180.0° |
| C10 | C9 | C14 | C13 | 1.3° | 0.6° |
| C10 | C9 | C14 | H14 | 178.7° | 180.0° |
| C14 | C9 | C10 | C11 | 0.1° | 0.3° |
| C14 | C9 | C10 | H10 | 179.9° | 179.7° |
| C9 | C14 | C13 | C12 | 1.4° | 0.6° |
| C9 | C14 | C13 | CL | 178.8° | 179.7° |
| C9 | C14 | C13 | H14 | 180.0° | 179.4° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.0° | 0.0° |
| C10 | C11 | C12 | H12 | 179.0° | 179.9° |
| H10 | C10 | C11 | C12 | 178.9° | 180.0° |
| H10 | C10 | C11 | H11 | 1.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | CL | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| H11 | C11 | C12 | C13 | 179.0° | 180.0° |
| H11 | C11 | C12 | H12 | 1.0° | 0.1° |
| C12 | C13 | CL | C14 | 179.8° | 179.7° |
| C12 | C13 | C14 | H14 | 178.6° | 180.0° |
| H12 | C12 | C13 | CL | 0.0° | 0.1° |
| H12 | C12 | C13 | C14 | 179.8° | 179.8° |
| CL | C13 | C14 | H14 | 1.2° | 0.3° |
