M41
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| CL3 | C30 | sing | 1.74Å | 1.80Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| C4 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | S8 | sing | 1.81Å | 1.67Å | |
| S8 | N9 | sing | 1.66Å | 1.61Å | |
| S8 | O12 | doub | 1.42Å | 1.43Å | |
| S8 | O13 | doub | 1.42Å | 1.43Å | |
| N9 | C10 | sing | 1.47Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | N17 | sing | 1.35Å | 1.33Å | |
| C11 | O22 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| N17 | C21 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C18 | C23 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C23 | N24 | sing | 1.35Å | 1.34Å | |
| C23 | O32 | doub | 1.21Å | 1.22Å | |
| N24 | C25 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C34 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | N35 | sing | 1.47Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| N35 | HN35 | sing | 1.01Å | 1.00Å | |
| N35 | HN3A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.2° | 120.0° |
| C1 | C2 | C33 | 119.8° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C6 | C1 | H1 | 119.9° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C2 | C33 | C4 | 120.3° | 120.0° |
| C33 | C2 | H2 | 120.1° | 120.0° |
| C2 | C33 | H33 | 119.8° | 119.9° |
| CL3 | C30 | C29 | 119.9° | 120.1° |
| CL3 | C30 | C31 | 119.6° | 119.9° |
| C5 | C4 | C7 | 120.9° | 120.0° |
| C5 | C4 | C33 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C7 | C4 | C33 | 119.4° | 120.0° |
| C4 | C7 | S8 | 111.1° | 109.5° |
| C4 | C7 | H7 | 108.9° | 109.5° |
| C4 | C7 | H7A | 108.9° | 109.5° |
| C4 | C33 | H33 | 119.8° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C7 | S8 | N9 | 108.2° | 104.5° |
| C7 | S8 | O12 | 108.2° | 110.6° |
| C7 | S8 | O13 | 108.3° | 110.5° |
| S8 | C7 | H7 | 108.9° | 109.5° |
| S8 | C7 | H7A | 108.9° | 109.4° |
| N9 | S8 | O12 | 110.4° | 104.3° |
| N9 | S8 | O13 | 108.8° | 104.3° |
| S8 | N9 | C10 | 123.6° | 120.0° |
| S8 | N9 | HN9 | 105.0° | 120.0° |
| O12 | S8 | O13 | 112.9° | 121.0° |
| N9 | C10 | C11 | 112.9° | 109.5° |
| N9 | C10 | C14 | 107.5° | 109.5° |
| C10 | N9 | HN9 | 105.0° | 120.0° |
| N9 | C10 | H10 | 107.8° | 109.4° |
| C11 | C10 | C14 | 107.2° | 109.5° |
| C10 | C11 | N17 | 117.9° | 120.1° |
| C10 | C11 | O22 | 119.4° | 120.0° |
| C11 | C10 | H10 | 108.1° | 109.5° |
| C10 | C14 | C15 | 112.7° | 109.4° |
| C10 | C14 | C16 | 111.4° | 109.4° |
| C14 | C10 | H10 | 113.4° | 109.5° |
| C10 | C14 | H14 | 106.4° | 109.5° |
| N17 | C11 | O22 | 122.6° | 120.0° |
| C11 | N17 | C18 | 120.1° | 125.7° |
| C11 | N17 | C21 | 126.8° | 125.6° |
| C15 | C14 | C16 | 111.1° | 109.5° |
| C15 | C14 | H14 | 106.7° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.4° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C16 | C14 | H14 | 108.2° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.4° |
| C14 | C16 | H16A | 109.5° | 109.4° |
| C14 | C16 | H16B | 109.4° | 109.5° |
| C18 | N17 | C21 | 113.1° | 108.7° |
| N17 | C18 | C19 | 104.4° | 107.3° |
| N17 | C18 | C23 | 112.6° | 109.9° |
| N17 | C18 | H18 | 111.3° | 109.9° |
| N17 | C21 | C20 | 105.0° | 104.8° |
| N17 | C21 | H21 | 111.0° | 110.4° |
| N17 | C21 | H21A | 111.0° | 110.4° |
| C19 | C18 | C23 | 110.8° | 109.9° |
| C18 | C19 | C20 | 105.9° | 102.9° |
| C19 | C18 | H18 | 113.0° | 109.9° |
| C18 | C19 | H19 | 110.7° | 110.8° |
| C18 | C19 | H19A | 110.7° | 110.8° |
| C18 | C23 | N24 | 118.4° | 120.0° |
| C18 | C23 | O32 | 120.3° | 120.0° |
| C23 | C18 | H18 | 105.0° | 110.0° |
| C19 | C20 | C21 | 106.9° | 101.4° |
| C20 | C19 | H19 | 110.7° | 110.7° |
| C20 | C19 | H19A | 110.7° | 110.7° |
| C19 | C20 | H20 | 110.3° | 111.0° |
| C19 | C20 | H20A | 110.3° | 111.0° |
| C21 | C20 | H20 | 110.3° | 111.2° |
| C21 | C20 | H20A | 110.3° | 111.0° |
| C20 | C21 | H21 | 111.0° | 110.5° |
| C20 | C21 | H21A | 111.0° | 110.3° |
| N24 | C23 | O32 | 121.3° | 120.0° |
| C23 | N24 | C25 | 122.2° | 120.0° |
| C23 | N24 | HN24 | 118.9° | 120.0° |
| N24 | C25 | C26 | 113.8° | 109.5° |
| C25 | N24 | HN24 | 118.9° | 120.0° |
| N24 | C25 | H25 | 108.1° | 109.5° |
| N24 | C25 | H25A | 108.0° | 109.4° |
| C25 | C26 | C27 | 120.7° | 120.0° |
| C25 | C26 | C31 | 119.9° | 120.0° |
| C26 | C25 | H25 | 108.0° | 109.5° |
| C26 | C25 | H25A | 108.1° | 109.5° |
| C27 | C26 | C31 | 119.4° | 120.0° |
| C26 | C27 | C28 | 120.5° | 120.0° |
| C26 | C27 | C34 | 120.2° | 119.9° |
| C26 | C31 | C30 | 120.2° | 119.9° |
| C26 | C31 | H31 | 119.9° | 120.0° |
| C28 | C27 | C34 | 119.3° | 120.1° |
| C27 | C28 | C29 | 120.0° | 120.1° |
| C27 | C28 | H28 | 120.0° | 119.9° |
| C27 | C34 | N35 | 110.7° | 109.5° |
| C27 | C34 | H34 | 109.1° | 109.4° |
| C27 | C34 | H34A | 109.0° | 109.5° |
| C28 | C29 | C30 | 119.3° | 120.0° |
| C29 | C28 | H28 | 120.0° | 120.0° |
| C28 | C29 | H29 | 120.3° | 120.0° |
| C29 | C30 | C31 | 120.6° | 120.0° |
| C30 | C29 | H29 | 120.4° | 120.0° |
| C30 | C31 | H31 | 119.9° | 120.1° |
| N35 | C34 | H34 | 109.1° | 109.5° |
| N35 | C34 | H34A | 109.1° | 109.5° |
| C34 | N35 | HN35 | 109.5° | 111.0° |
| C34 | N35 | HN3A | 109.4° | 111.0° |
| H7 | C7 | H7A | 110.0° | 109.4° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H19 | C19 | H19A | 108.3° | 110.8° |
| H20 | C20 | H20A | 108.6° | 110.9° |
| H21 | C21 | H21A | 107.9° | 110.4° |
| H25 | C25 | H25A | 110.9° | 109.4° |
| H34 | C34 | H34A | 109.9° | 109.4° |
| HN35 | N35 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C33 | H2 | 180.0° | 180.0° |
| C1 | C2 | C33 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C1 | C2 | C33 | H33 | 179.7° | 180.0° |
| C6 | C1 | C2 | C33 | 0.1° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 179.9° |
| C2 | C33 | C4 | C5 | 0.4° | 0.0° |
| C2 | C33 | C4 | C7 | 179.8° | 180.0° |
| C2 | C33 | C4 | H33 | 180.0° | 180.0° |
| C33 | C2 | C1 | H1 | 179.9° | 179.7° |
| CL3 | C30 | C31 | C26 | 179.7° | 179.7° |
| CL3 | C30 | C29 | C28 | 179.3° | 180.0° |
| CL3 | C30 | C29 | C31 | 179.3° | 179.7° |
| CL3 | C30 | C29 | H29 | 0.7° | 0.1° |
| CL3 | C30 | C31 | H31 | 0.3° | 0.0° |
| C5 | C4 | C7 | C33 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C7 | S8 | 80.0° | 90.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C4 | C7 | H7 | 160.0° | 150.0° |
| C5 | C4 | C7 | H7A | 40.0° | 30.0° |
| C5 | C4 | C33 | H33 | 179.6° | 179.9° |
| C7 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | C7 | S8 | H7 | 120.0° | 120.0° |
| C4 | C7 | S8 | H7A | 120.0° | 120.1° |
| C4 | C7 | S8 | N9 | 73.6° | 180.0° |
| C4 | C7 | S8 | O12 | 166.8° | 68.3° |
| C4 | C7 | S8 | O13 | 44.1° | 68.3° |
| C7 | C4 | C5 | H5 | 0.2° | 0.1° |
| C4 | C7 | H7 | H7A | 119.3° | 120.0° |
| C7 | C4 | C33 | H33 | 0.2° | 0.0° |
| C33 | C4 | C5 | C6 | 0.3° | 0.0° |
| C33 | C4 | C7 | S8 | 100.1° | 90.0° |
| C4 | C33 | C2 | H2 | 179.7° | 180.0° |
| C33 | C4 | C5 | H5 | 179.7° | 179.9° |
| C33 | C4 | C7 | H7 | 19.9° | 30.0° |
| C33 | C4 | C7 | H7A | 139.9° | 150.0° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C7 | S8 | N9 | O12 | 118.2° | 116.1° |
| C7 | S8 | N9 | O13 | 117.4° | 116.1° |
| C7 | S8 | O12 | O13 | 119.8° | 131.5° |
| C7 | S8 | N9 | C10 | 105.1° | 65.0° |
| S8 | C7 | H7 | H7A | 119.3° | 119.9° |
| C7 | S8 | N9 | HN9 | 134.9° | 115.0° |
| N9 | S8 | O12 | O13 | 122.0° | 116.7° |
| S8 | N9 | C10 | HN9 | 120.0° | 180.0° |
| S8 | N9 | C10 | C11 | 75.9° | 145.0° |
| S8 | N9 | C10 | C14 | 166.1° | 95.0° |
| N9 | S8 | C7 | H7 | 46.4° | 60.0° |
| N9 | S8 | C7 | H7A | 166.4° | 60.0° |
| S8 | N9 | C10 | H10 | 43.4° | 25.0° |
| O12 | S8 | N9 | C10 | 13.1° | 51.1° |
| O12 | S8 | C7 | H7 | 73.2° | 171.7° |
| O12 | S8 | C7 | H7A | 46.8° | 51.7° |
| O12 | S8 | N9 | HN9 | 106.9° | 128.9° |
| O13 | S8 | N9 | C10 | 137.5° | 178.9° |
| O13 | S8 | C7 | H7 | 164.1° | 51.7° |
| O13 | S8 | C7 | H7A | 75.9° | 171.6° |
| O13 | S8 | N9 | HN9 | 17.5° | 1.1° |
| N9 | C10 | C11 | C14 | 118.2° | 120.0° |
| N9 | C10 | C11 | H10 | 119.2° | 120.0° |
| N9 | C10 | C14 | H10 | 119.1° | 120.0° |
| N9 | C10 | C11 | N17 | 130.6° | 148.5° |
| N9 | C10 | C11 | O22 | 50.3° | 31.5° |
| N9 | C10 | C14 | C15 | 46.2° | 177.1° |
| N9 | C10 | C14 | C16 | 171.8° | 63.0° |
| N9 | C10 | C14 | H14 | 70.5° | 57.0° |
| C11 | C10 | C14 | H10 | 119.3° | 120.0° |
| C10 | C11 | N17 | O22 | 179.1° | 180.0° |
| C11 | C10 | C14 | C15 | 167.8° | 62.9° |
| C11 | C10 | C14 | C16 | 66.6° | 57.1° |
| C10 | C11 | N17 | C18 | 179.1° | 174.8° |
| C10 | C11 | N17 | C21 | 0.4° | 4.9° |
| C11 | C10 | N9 | HN9 | 44.0° | 35.0° |
| C11 | C10 | C14 | H14 | 51.2° | 177.1° |
| C14 | C10 | C11 | N17 | 111.2° | 91.4° |
| C14 | C10 | C11 | O22 | 67.9° | 88.5° |
| C10 | C14 | C15 | C16 | 125.8° | 119.9° |
| C10 | C14 | C15 | H14 | 116.5° | 120.0° |
| C10 | C14 | C16 | H14 | 116.6° | 120.0° |
| C14 | C10 | N9 | HN9 | 73.9° | 85.0° |
| C10 | C14 | C15 | H15 | 180.0° | 57.6° |
| C10 | C14 | C15 | H15A | 60.0° | 177.5° |
| C10 | C14 | C15 | H15B | 60.0° | 62.5° |
| C10 | C14 | C16 | H16 | 180.0° | 60.0° |
| C10 | C14 | C16 | H16A | 60.0° | 180.0° |
| C10 | C14 | C16 | H16B | 60.0° | 60.0° |
| C11 | N17 | C18 | C21 | 179.6° | 179.8° |
| C11 | N17 | C18 | C19 | 167.3° | 179.0° |
| C11 | N17 | C18 | C23 | 47.0° | 59.5° |
| C11 | N17 | C21 | C20 | 179.8° | 155.8° |
| N17 | C11 | C10 | H10 | 11.4° | 28.5° |
| C11 | N17 | C18 | H18 | 70.5° | 61.6° |
| C11 | N17 | C21 | H21 | 59.7° | 85.2° |
| C11 | N17 | C21 | H21A | 60.3° | 37.1° |
| O22 | C11 | N17 | C18 | 0.0° | 5.2° |
| O22 | C11 | N17 | C21 | 179.5° | 175.1° |
| O22 | C11 | C10 | H10 | 169.5° | 151.5° |
| C15 | C14 | C16 | H14 | 116.8° | 120.1° |
| C15 | C14 | C10 | H10 | 72.9° | 57.1° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 53.4° | 180.0° |
| C15 | C14 | C16 | H16A | 66.6° | 60.1° |
| C15 | C14 | C16 | H16B | 173.5° | 60.0° |
| C16 | C14 | C10 | H10 | 52.7° | 177.1° |
| C16 | C14 | C15 | H15 | 54.2° | 62.4° |
| C16 | C14 | C15 | H15A | 174.2° | 57.6° |
| C16 | C14 | C15 | H15B | 65.8° | 177.6° |
| C14 | C16 | H16 | H16A | 120.0° | 119.9° |
| C14 | C16 | H16 | H16B | 120.0° | 120.0° |
| C14 | C16 | H16A | H16B | 120.0° | 120.0° |
| N17 | C18 | C19 | C23 | 121.4° | 119.5° |
| N17 | C18 | C19 | H18 | 121.1° | 119.4° |
| N17 | C18 | C23 | H18 | 121.2° | 121.1° |
| N17 | C18 | C19 | C20 | 20.6° | 22.2° |
| C18 | N17 | C21 | C20 | 0.2° | 24.5° |
| N17 | C18 | C23 | N24 | 132.6° | 180.0° |
| N17 | C18 | C23 | O32 | 46.8° | 0.0° |
| N17 | C18 | C19 | H19 | 99.4° | 140.6° |
| N17 | C18 | C19 | H19A | 140.6° | 96.1° |
| C18 | N17 | C21 | H21 | 119.8° | 94.5° |
| C18 | N17 | C21 | H21A | 120.2° | 143.2° |
| C21 | N17 | C18 | C19 | 13.2° | 1.3° |
| C21 | N17 | C18 | C23 | 133.4° | 120.7° |
| N17 | C21 | C20 | C19 | 13.0° | 37.3° |
| N17 | C21 | C20 | H21 | 120.0° | 118.9° |
| N17 | C21 | C20 | H21A | 120.0° | 118.8° |
| C21 | N17 | C18 | H18 | 109.0° | 118.2° |
| N17 | C21 | C20 | H20 | 133.1° | 80.7° |
| N17 | C21 | C20 | H20A | 106.9° | 155.3° |
| N17 | C21 | H21 | H21A | 121.8° | 122.3° |
| C19 | C18 | C23 | H18 | 122.3° | 121.1° |
| C18 | C19 | C20 | H19 | 120.0° | 118.4° |
| C18 | C19 | C20 | H19A | 120.0° | 118.4° |
| C18 | C19 | C20 | C21 | 21.1° | 35.7° |
| C19 | C18 | C23 | N24 | 110.8° | 62.2° |
| C19 | C18 | C23 | O32 | 69.7° | 117.8° |
| C18 | C19 | H19 | H19A | 121.5° | 123.3° |
| C18 | C19 | C20 | H20 | 141.1° | 82.5° |
| C18 | C19 | C20 | H20A | 98.9° | 153.6° |
| C23 | C18 | C19 | C20 | 142.1° | 97.2° |
| C18 | C23 | N24 | O32 | 179.4° | 180.0° |
| C18 | C23 | N24 | C25 | 179.4° | 180.0° |
| C23 | C18 | C19 | H19 | 22.1° | 21.1° |
| C23 | C18 | C19 | H19A | 97.9° | 144.4° |
| C18 | C23 | N24 | HN24 | 0.6° | 0.0° |
| C19 | C20 | C21 | H20 | 120.0° | 118.0° |
| C19 | C20 | C21 | H20A | 120.0° | 118.0° |
| C20 | C19 | C18 | H18 | 100.5° | 141.6° |
| C20 | C19 | H19 | H19A | 121.4° | 123.2° |
| C19 | C20 | H20 | H20A | 121.0° | 123.9° |
| C19 | C20 | C21 | H21 | 133.0° | 81.6° |
| C19 | C20 | C21 | H21A | 107.0° | 156.1° |
| C21 | C20 | C19 | H19 | 98.9° | 154.1° |
| C21 | C20 | C19 | H19A | 141.1° | 82.7° |
| C21 | C20 | H20 | H20A | 121.0° | 124.0° |
| C20 | C21 | H21 | H21A | 121.8° | 122.2° |
| C23 | N24 | C25 | HN24 | 180.0° | 180.0° |
| C23 | N24 | C25 | C26 | 107.9° | 180.0° |
| N24 | C23 | C18 | H18 | 11.4° | 58.9° |
| C23 | N24 | C25 | H25 | 132.2° | 59.9° |
| C23 | N24 | C25 | H25A | 12.1° | 60.0° |
| O32 | C23 | N24 | C25 | 1.1° | 0.0° |
| O32 | C23 | C18 | H18 | 168.0° | 121.1° |
| O32 | C23 | N24 | HN24 | 178.8° | 180.0° |
| N24 | C25 | C26 | H25 | 120.0° | 120.1° |
| N24 | C25 | C26 | H25A | 120.0° | 120.0° |
| N24 | C25 | C26 | C27 | 102.4° | 80.0° |
| N24 | C25 | C26 | C31 | 79.2° | 100.2° |
| N24 | C25 | H25 | H25A | 118.2° | 119.9° |
| C25 | C26 | C27 | C31 | 178.4° | 179.8° |
| C25 | C26 | C27 | C28 | 179.2° | 180.0° |
| C25 | C26 | C27 | C34 | 1.5° | 0.1° |
| C25 | C26 | C31 | C30 | 178.4° | 179.7° |
| C26 | C25 | N24 | HN24 | 72.1° | 0.0° |
| C26 | C25 | H25 | H25A | 118.2° | 120.0° |
| C25 | C26 | C31 | H31 | 1.6° | 0.0° |
| C26 | C27 | C28 | C34 | 179.2° | 180.0° |
| C26 | C27 | C28 | C29 | 1.2° | 0.0° |
| C27 | C26 | C31 | C30 | 0.0° | 0.5° |
| C26 | C27 | C34 | N35 | 103.0° | 80.0° |
| C27 | C26 | C25 | H25 | 137.6° | 40.1° |
| C27 | C26 | C25 | H25A | 17.6° | 160.0° |
| C26 | C27 | C28 | H28 | 178.8° | 180.0° |
| C27 | C26 | C31 | H31 | 180.0° | 179.7° |
| C26 | C27 | C34 | H34 | 137.0° | 160.0° |
| C26 | C27 | C34 | H34A | 17.0° | 40.1° |
| C31 | C26 | C27 | C28 | 0.8° | 0.2° |
| C31 | C26 | C27 | C34 | 179.9° | 179.7° |
| C26 | C31 | C30 | C29 | 0.4° | 0.6° |
| C26 | C31 | C30 | H31 | 180.0° | 179.7° |
| C31 | C26 | C25 | H25 | 40.8° | 139.7° |
| C31 | C26 | C25 | H25A | 160.8° | 19.7° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.8° | 0.0° |
| C28 | C27 | C34 | N35 | 76.2° | 100.0° |
| C27 | C28 | C29 | H29 | 179.2° | 179.9° |
| C28 | C27 | C34 | H34 | 43.8° | 20.0° |
| C28 | C27 | C34 | H34A | 163.8° | 140.0° |
| C34 | C27 | C28 | C29 | 179.5° | 180.0° |
| C27 | C34 | N35 | H34 | 120.0° | 120.0° |
| C27 | C34 | N35 | H34A | 120.0° | 120.0° |
| C34 | C27 | C28 | H28 | 0.5° | 0.0° |
| C27 | C34 | H34 | H34A | 119.5° | 120.0° |
| C27 | C34 | N35 | HN35 | 180.0° | 56.0° |
| C27 | C34 | N35 | HN3A | 60.0° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.3° |
| C30 | C29 | C28 | H28 | 179.2° | 180.0° |
| C29 | C30 | C31 | H31 | 179.6° | 179.7° |
| C31 | C30 | C29 | H29 | 179.9° | 179.8° |
| N35 | C34 | H34 | H34A | 119.5° | 120.0° |
| C34 | N35 | HN35 | HN3A | 120.0° | 123.9° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H1 | C1 | C6 | H6 | 0.0° | 0.2° |
| H2 | C2 | C33 | H33 | 0.3° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| HN9 | N9 | C10 | H10 | 163.4° | 155.0° |
| H10 | C10 | C14 | H14 | 170.4° | 62.9° |
| H14 | C14 | C15 | H15 | 63.5° | 177.6° |
| H14 | C14 | C15 | H15A | 56.5° | 62.5° |
| H14 | C14 | C15 | H15B | 176.5° | 57.5° |
| H14 | C14 | C16 | H16 | 63.4° | 60.0° |
| H14 | C14 | C16 | H16A | 176.6° | 60.0° |
| H14 | C14 | C16 | H16B | 56.6° | 179.9° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.1° |
| H18 | C18 | C19 | H19 | 139.6° | 100.0° |
| H18 | C18 | C19 | H19A | 19.5° | 23.3° |
| H19 | C19 | C20 | H20 | 21.1° | 35.9° |
| H19 | C19 | C20 | H20A | 141.1° | 88.0° |
| H19A | C19 | C20 | H20 | 98.9° | 159.1° |
| H19A | C19 | C20 | H20A | 21.1° | 35.2° |
| H20 | C20 | C21 | H21 | 106.9° | 160.3° |
| H20 | C20 | C21 | H21A | 13.1° | 38.0° |
| H20A | C20 | C21 | H21 | 13.1° | 36.3° |
| H20A | C20 | C21 | H21A | 133.1° | 86.0° |
| HN24 | N24 | C25 | H25 | 47.9° | 120.0° |
| HN24 | N24 | C25 | H25A | 167.9° | 120.0° |
| H28 | C28 | C29 | H29 | 0.8° | 0.1° |
| H34 | C34 | N35 | HN35 | 60.0° | 64.0° |
| H34 | C34 | N35 | HN3A | 180.0° | 60.0° |
| H34A | C34 | N35 | HN35 | 60.0° | 176.0° |
| H34A | C34 | N35 | HN3A | 60.0° | 60.0° |
