2VL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | N38 | sing | 1.46Å | 1.47Å | |
| O37 | C36 | doub | 1.21Å | 1.22Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C40 | N41 | sing | 1.47Å | 1.48Å | |
| N38 | C36 | sing | 1.34Å | 1.35Å | |
| N38 | C39 | sing | 1.46Å | 1.46Å | |
| C36 | C34 | sing | 1.50Å | 1.51Å | |
| C34 | N41 | sing | 1.47Å | 1.48Å | |
| C34 | C31 | sing | 1.51Å | 1.51Å | |
| C42 | N41 | sing | 1.47Å | 1.47Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | N27 | sing | 1.40Å | 1.40Å | |
| N27 | C25 | sing | 1.39Å | 1.38Å | |
| C25 | N26 | doub | 1.32Å | 1.32Å | |
| C25 | C23 | sing | 1.47Å | 1.46Å | |
| N26 | C20 | sing | 1.34Å | 1.35Å | |
| O24 | C23 | doub | 1.22Å | 1.24Å | |
| C23 | N22 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C3 | sing | 1.48Å | 1.49Å | |
| C20 | C21 | doub | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| N22 | C21 | sing | 1.36Å | 1.37Å | |
| N22 | C44 | sing | 1.46Å | 1.47Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C7 | N8 | sing | 1.40Å | 1.41Å | |
| N8 | C9 | sing | 1.35Å | 1.35Å | |
| O10 | C9 | doub | 1.22Å | 1.21Å | |
| C9 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | S15 | sing | 1.76Å | 1.75Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| S15 | C14 | sing | 1.71Å | 1.71Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.36Å | Aromatic |
| C13 | C19 | sing | 1.52Å | 1.53Å | |
| C14 | C16 | sing | 1.52Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N8 | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| N27 | H18 | sing | 0.97Å | 1.00Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C42 | H30 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C43 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | N38 | C36 | 120.5° | 118.5° |
| C43 | N38 | C39 | 118.1° | 118.5° |
| N38 | C43 | H32 | 109.5° | 109.5° |
| N38 | C43 | H33 | 109.5° | 109.5° |
| N38 | C43 | H34 | 109.5° | 109.5° |
| O37 | C36 | N38 | 120.6° | 118.6° |
| O37 | C36 | C34 | 117.3° | 118.6° |
| C39 | C40 | N41 | 108.2° | 108.7° |
| C40 | C39 | N38 | 109.0° | 110.0° |
| C40 | C39 | H24 | 109.6° | 109.4° |
| C40 | C39 | H25 | 109.6° | 109.3° |
| C39 | C40 | H26 | 109.8° | 109.5° |
| C39 | C40 | H27 | 109.8° | 109.6° |
| C40 | N41 | C34 | 114.6° | 110.2° |
| C40 | N41 | C42 | 113.5° | 111.0° |
| N41 | C40 | H26 | 109.8° | 109.6° |
| N41 | C40 | H27 | 109.8° | 109.6° |
| C36 | N38 | C39 | 121.4° | 122.9° |
| N38 | C36 | C34 | 122.1° | 122.8° |
| N38 | C39 | H24 | 109.6° | 109.4° |
| N38 | C39 | H25 | 109.6° | 109.3° |
| C36 | C34 | N41 | 114.1° | 110.0° |
| C36 | C34 | C31 | 108.1° | 109.4° |
| C36 | C34 | H23 | 109.1° | 109.3° |
| N41 | C34 | C31 | 107.1° | 109.4° |
| C34 | N41 | C42 | 111.2° | 111.0° |
| N41 | C34 | H23 | 109.5° | 109.4° |
| C34 | C31 | C32 | 117.8° | 119.9° |
| C34 | C31 | C30 | 121.6° | 119.9° |
| C31 | C34 | H23 | 108.9° | 109.4° |
| N41 | C42 | H29 | 109.5° | 109.4° |
| N41 | C42 | H30 | 109.5° | 109.5° |
| N41 | C42 | H31 | 109.4° | 109.5° |
| C32 | C31 | C30 | 120.6° | 120.2° |
| C31 | C32 | C33 | 119.3° | 120.1° |
| C31 | C32 | H21 | 120.3° | 120.0° |
| C31 | C30 | C29 | 120.3° | 120.0° |
| C31 | C30 | H20 | 119.9° | 120.0° |
| C32 | C33 | C28 | 120.7° | 119.9° |
| C33 | C32 | H21 | 120.3° | 119.9° |
| C32 | C33 | H22 | 119.6° | 120.1° |
| C30 | C29 | C28 | 119.2° | 120.0° |
| C30 | C29 | H19 | 120.4° | 120.0° |
| C29 | C30 | H20 | 119.8° | 120.0° |
| C33 | C28 | C29 | 119.9° | 119.9° |
| C33 | C28 | N27 | 115.9° | 120.0° |
| C28 | C33 | H22 | 119.6° | 120.1° |
| C29 | C28 | N27 | 124.3° | 120.1° |
| C28 | C29 | H19 | 120.4° | 120.0° |
| C28 | N27 | C25 | 127.8° | 120.0° |
| C28 | N27 | H18 | 116.1° | 120.0° |
| N27 | C25 | N26 | 124.0° | 120.4° |
| N27 | C25 | C23 | 115.8° | 120.4° |
| C25 | N27 | H18 | 116.1° | 120.1° |
| N26 | C25 | C23 | 120.2° | 119.2° |
| C25 | N26 | C20 | 121.3° | 120.6° |
| C25 | C23 | O24 | 119.0° | 120.7° |
| C25 | C23 | N22 | 117.5° | 118.7° |
| N26 | C20 | C3 | 118.5° | 119.2° |
| N26 | C20 | C21 | 119.6° | 121.5° |
| O24 | C23 | N22 | 123.5° | 120.6° |
| C23 | N22 | C21 | 120.1° | 119.2° |
| C23 | N22 | C44 | 120.4° | 120.4° |
| C5 | C4 | C3 | 120.6° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.2° |
| C5 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | H5 | 119.8° | 119.9° |
| C4 | C3 | C20 | 117.2° | 120.1° |
| C4 | C3 | C2 | 118.9° | 119.8° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.2° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| C5 | C6 | H6 | 120.1° | 119.9° |
| C3 | C20 | C21 | 122.0° | 119.3° |
| C20 | C3 | C2 | 123.9° | 120.1° |
| C20 | C21 | N22 | 121.3° | 120.8° |
| C20 | C21 | H17 | 119.4° | 119.6° |
| C3 | C2 | C7 | 119.8° | 119.8° |
| C3 | C2 | C1 | 121.1° | 120.1° |
| C21 | N22 | C44 | 119.5° | 120.4° |
| N22 | C21 | H17 | 119.4° | 119.6° |
| N22 | C44 | H35 | 109.5° | 109.5° |
| N22 | C44 | H36 | 109.5° | 109.5° |
| N22 | C44 | H37 | 109.5° | 109.5° |
| C6 | C7 | C2 | 120.3° | 120.0° |
| C6 | C7 | N8 | 122.9° | 120.0° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C7 | C2 | C1 | 119.1° | 120.1° |
| C2 | C7 | N8 | 116.7° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C7 | N8 | C9 | 124.4° | 120.0° |
| C7 | N8 | H7 | 117.8° | 120.0° |
| N8 | C9 | O10 | 120.8° | 120.0° |
| N8 | C9 | C11 | 121.5° | 120.0° |
| C9 | N8 | H7 | 117.8° | 120.0° |
| O10 | C9 | C11 | 117.6° | 120.0° |
| C9 | C11 | C12 | 128.9° | 125.5° |
| C9 | C11 | S15 | 121.8° | 125.5° |
| C12 | C11 | S15 | 109.0° | 109.1° |
| C11 | C12 | C13 | 113.3° | 114.1° |
| C11 | C12 | H8 | 123.4° | 123.0° |
| C11 | S15 | C14 | 93.0° | 91.8° |
| C12 | C13 | C14 | 114.3° | 113.9° |
| C12 | C13 | C19 | 124.7° | 123.1° |
| C13 | C12 | H8 | 123.3° | 122.9° |
| S15 | C14 | C13 | 110.4° | 111.1° |
| S15 | C14 | C16 | 124.0° | 124.6° |
| C14 | C13 | C19 | 120.9° | 123.0° |
| C13 | C14 | C16 | 125.6° | 124.3° |
| C13 | C19 | C18 | 109.2° | 108.8° |
| C13 | C19 | H15 | 109.5° | 109.6° |
| C13 | C19 | H16 | 109.5° | 109.5° |
| C14 | C16 | C17 | 110.2° | 108.7° |
| C14 | C16 | H9 | 109.3° | 109.6° |
| C14 | C16 | H10 | 109.3° | 109.5° |
| C19 | C18 | C17 | 109.7° | 109.2° |
| C19 | C18 | H13 | 109.4° | 109.5° |
| C19 | C18 | H14 | 109.4° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.6° |
| C18 | C19 | H16 | 109.5° | 109.6° |
| C16 | C17 | C18 | 109.2° | 109.0° |
| C17 | C16 | H9 | 109.3° | 109.6° |
| C17 | C16 | H10 | 109.3° | 109.6° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C16 | C17 | H12 | 109.5° | 109.6° |
| C18 | C17 | H11 | 109.6° | 109.5° |
| C18 | C17 | H12 | 109.5° | 109.6° |
| C17 | C18 | H13 | 109.4° | 109.5° |
| C17 | C18 | H14 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.8° |
| H11 | C17 | H12 | 109.5° | 109.6° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.7° |
| H24 | C39 | H25 | 109.4° | 109.4° |
| H26 | C40 | H27 | 109.5° | 109.7° |
| H29 | C42 | H30 | 109.4° | 109.5° |
| H29 | C42 | H31 | 109.5° | 109.5° |
| H30 | C42 | H31 | 109.5° | 109.5° |
| H32 | C43 | H33 | 109.4° | 109.4° |
| H32 | C43 | H34 | 109.5° | 109.4° |
| H33 | C43 | H34 | 109.5° | 109.5° |
| H35 | C44 | H36 | 109.4° | 109.4° |
| H35 | C44 | H37 | 109.5° | 109.5° |
| H36 | C44 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | N38 | C36 | O37 | 0.9° | 1.7° |
| C43 | N38 | C39 | C40 | 147.7° | 161.8° |
| C43 | N38 | C36 | C39 | 179.0° | 180.0° |
| C43 | N38 | C36 | C34 | 179.5° | 178.4° |
| C43 | N38 | C39 | H24 | 27.7° | 78.0° |
| C43 | N38 | C39 | H25 | 92.4° | 41.8° |
| N38 | C43 | H32 | H33 | 120.0° | 120.0° |
| N38 | C43 | H32 | H34 | 120.0° | 120.0° |
| N38 | C43 | H33 | H34 | 120.0° | 120.0° |
| O37 | C36 | N38 | C34 | 178.6° | 180.0° |
| O37 | C36 | N38 | C39 | 179.9° | 178.3° |
| O37 | C36 | C34 | N41 | 175.7° | 162.8° |
| O37 | C36 | C34 | C31 | 65.3° | 42.6° |
| O37 | C36 | C34 | H23 | 53.0° | 77.1° |
| C39 | C40 | N41 | H26 | 119.8° | 119.7° |
| C39 | C40 | N41 | H27 | 119.8° | 119.8° |
| C40 | C39 | N38 | C36 | 31.4° | 18.2° |
| C40 | C39 | N38 | H24 | 120.0° | 120.2° |
| C40 | C39 | N38 | H25 | 120.0° | 120.0° |
| C39 | C40 | N41 | C34 | 58.0° | 69.1° |
| C39 | C40 | N41 | C42 | 172.7° | 167.6° |
| C40 | C39 | H24 | H25 | 120.2° | 119.7° |
| C39 | C40 | H26 | H27 | 120.6° | 120.4° |
| N41 | C40 | C39 | N38 | 59.5° | 50.4° |
| C40 | N41 | C34 | C36 | 25.5° | 50.3° |
| C40 | N41 | C34 | C42 | 130.5° | 123.3° |
| C40 | N41 | C34 | C31 | 145.0° | 170.5° |
| C40 | N41 | C34 | H23 | 97.0° | 69.7° |
| N41 | C40 | C39 | H24 | 179.4° | 69.8° |
| N41 | C40 | C39 | H25 | 60.5° | 170.4° |
| N41 | C40 | H26 | H27 | 120.6° | 120.4° |
| C40 | N41 | C42 | H29 | 180.0° | 177.1° |
| C40 | N41 | C42 | H30 | 60.0° | 57.2° |
| C40 | N41 | C42 | H31 | 60.0° | 62.9° |
| N38 | C36 | C34 | N41 | 5.7° | 17.2° |
| N38 | C36 | C34 | C31 | 113.3° | 137.3° |
| N38 | C36 | C34 | H23 | 128.4° | 102.9° |
| C36 | N38 | C39 | H24 | 151.3° | 102.0° |
| C36 | N38 | C39 | H25 | 88.6° | 138.2° |
| C36 | N38 | C43 | H32 | 180.0° | 0.0° |
| C36 | N38 | C43 | H33 | 60.0° | 120.0° |
| C36 | N38 | C43 | H34 | 60.0° | 120.0° |
| C39 | N38 | C36 | C34 | 1.5° | 1.7° |
| N38 | C39 | H24 | H25 | 120.2° | 119.7° |
| N38 | C39 | C40 | H26 | 179.3° | 170.0° |
| N38 | C39 | C40 | H27 | 60.3° | 69.5° |
| C39 | N38 | C43 | H32 | 1.0° | 180.0° |
| C39 | N38 | C43 | H33 | 120.9° | 60.0° |
| C39 | N38 | C43 | H34 | 119.0° | 60.0° |
| C36 | C34 | N41 | C31 | 119.5° | 120.2° |
| C36 | C34 | N41 | H23 | 122.5° | 120.0° |
| C36 | C34 | C31 | H23 | 118.4° | 119.7° |
| C36 | C34 | N41 | C42 | 156.0° | 173.6° |
| C36 | C34 | C31 | C32 | 124.8° | 99.4° |
| C36 | C34 | C31 | C30 | 55.3° | 80.8° |
| N41 | C34 | C31 | H23 | 118.3° | 119.8° |
| N41 | C34 | C31 | C32 | 111.9° | 140.0° |
| N41 | C34 | C31 | C30 | 68.1° | 39.8° |
| C34 | N41 | C40 | H26 | 177.8° | 171.3° |
| C34 | N41 | C40 | H27 | 61.8° | 50.8° |
| C34 | N41 | C42 | H29 | 48.9° | 60.0° |
| C34 | N41 | C42 | H30 | 168.9° | 180.0° |
| C34 | N41 | C42 | H31 | 71.1° | 60.0° |
| C31 | C34 | N41 | C42 | 84.5° | 66.2° |
| C34 | C31 | C32 | C30 | 179.9° | 179.8° |
| C34 | C31 | C32 | C33 | 179.6° | 180.0° |
| C34 | C31 | C30 | C29 | 179.9° | 179.7° |
| C34 | C31 | C30 | H20 | 0.1° | 0.3° |
| C34 | C31 | C32 | H21 | 0.4° | 0.2° |
| C42 | N41 | C34 | H23 | 33.5° | 53.6° |
| C42 | N41 | C40 | H26 | 52.9° | 47.9° |
| C42 | N41 | C40 | H27 | 67.5° | 72.6° |
| N41 | C42 | H29 | H30 | 120.0° | 120.0° |
| N41 | C42 | H29 | H31 | 120.0° | 120.0° |
| N41 | C42 | H30 | H31 | 120.0° | 120.1° |
| C31 | C32 | C33 | H21 | 180.0° | 179.8° |
| C32 | C31 | C30 | C29 | 0.2° | 0.1° |
| C31 | C32 | C33 | C28 | 0.5° | 0.5° |
| C32 | C31 | C30 | H20 | 179.8° | 179.9° |
| C31 | C32 | C33 | H22 | 179.5° | 180.0° |
| C32 | C31 | C34 | H23 | 6.5° | 20.2° |
| C30 | C31 | C32 | C33 | 0.5° | 0.2° |
| C31 | C30 | C29 | H20 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.0° | 0.1° |
| C31 | C30 | C29 | H19 | 180.0° | 180.0° |
| C30 | C31 | C32 | H21 | 179.5° | 180.0° |
| C30 | C31 | C34 | H23 | 173.6° | 159.5° |
| C32 | C33 | C28 | H22 | 180.0° | 179.5° |
| C32 | C33 | C28 | C29 | 0.3° | 0.5° |
| C32 | C33 | C28 | N27 | 179.3° | 179.8° |
| C30 | C29 | C28 | C33 | 0.0° | 0.2° |
| C30 | C29 | C28 | H19 | 180.0° | 180.0° |
| C30 | C29 | C28 | N27 | 179.6° | 179.9° |
| C33 | C28 | C29 | N27 | 179.6° | 179.7° |
| C33 | C28 | N27 | C25 | 173.3° | 146.0° |
| C33 | C28 | N27 | H18 | 6.7° | 33.9° |
| C33 | C28 | C29 | H19 | 180.0° | 179.7° |
| C28 | C33 | C32 | H21 | 179.5° | 179.7° |
| C29 | C28 | N27 | C25 | 7.1° | 34.3° |
| C29 | C28 | N27 | H18 | 172.9° | 145.8° |
| C28 | C29 | C30 | H20 | 180.0° | 179.9° |
| C29 | C28 | C33 | H22 | 179.7° | 180.0° |
| C28 | N27 | C25 | H18 | 180.0° | 179.9° |
| C28 | N27 | C25 | N26 | 15.8° | 5.8° |
| C28 | N27 | C25 | C23 | 164.9° | 174.7° |
| N27 | C28 | C29 | H19 | 0.4° | 0.0° |
| N27 | C28 | C33 | H22 | 0.6° | 0.3° |
| N27 | C25 | N26 | C23 | 179.2° | 179.5° |
| N27 | C25 | N26 | C20 | 179.8° | 179.9° |
| N27 | C25 | C23 | O24 | 0.2° | 0.2° |
| N27 | C25 | C23 | N22 | 178.7° | 179.8° |
| N26 | C25 | C23 | O24 | 179.5° | 179.7° |
| N26 | C25 | C23 | N22 | 0.5° | 0.3° |
| C25 | N26 | C20 | C3 | 178.3° | 179.7° |
| C25 | N26 | C20 | C21 | 1.3° | 0.6° |
| N26 | C25 | N27 | H18 | 164.2° | 174.1° |
| C23 | C25 | N26 | C20 | 1.0° | 0.6° |
| C25 | C23 | O24 | N22 | 178.9° | 180.0° |
| C25 | C23 | N22 | C21 | 1.8° | 0.0° |
| C25 | C23 | N22 | C44 | 179.0° | 180.0° |
| C23 | C25 | N27 | H18 | 15.1° | 5.4° |
| N26 | C20 | C3 | C4 | 37.7° | 122.1° |
| N26 | C20 | C3 | C21 | 179.6° | 179.7° |
| N26 | C20 | C3 | C2 | 143.3° | 58.0° |
| N26 | C20 | C21 | N22 | 0.0° | 0.3° |
| N26 | C20 | C21 | H17 | 180.0° | 179.8° |
| O24 | C23 | N22 | C21 | 179.3° | 180.0° |
| O24 | C23 | N22 | C44 | 0.1° | 0.0° |
| C23 | N22 | C21 | C20 | 1.5° | 0.0° |
| C23 | N22 | C21 | C44 | 179.2° | 180.0° |
| C23 | N22 | C21 | H17 | 178.5° | 180.0° |
| C23 | N22 | C44 | H35 | 180.0° | 90.0° |
| C23 | N22 | C44 | H36 | 60.0° | 30.0° |
| C23 | N22 | C44 | H37 | 60.0° | 150.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C20 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.0° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C20 | C2 | 179.1° | 180.0° |
| C4 | C3 | C20 | C21 | 141.9° | 58.2° |
| C4 | C3 | C2 | C7 | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 179.5° | 179.7° |
| C3 | C4 | C5 | H5 | 179.4° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 1.4° | 0.0° |
| C5 | C6 | C7 | N8 | 177.9° | 179.7° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C3 | C20 | C21 | N22 | 179.6° | 180.0° |
| C20 | C3 | C2 | C7 | 179.2° | 179.9° |
| C20 | C3 | C2 | C1 | 0.5° | 0.3° |
| C20 | C3 | C4 | H4 | 0.0° | 0.0° |
| C3 | C20 | C21 | H17 | 0.5° | 0.0° |
| C21 | C20 | C3 | C2 | 37.2° | 121.8° |
| C20 | C21 | N22 | H17 | 180.0° | 179.9° |
| C20 | C21 | N22 | C44 | 179.2° | 180.0° |
| C3 | C2 | C7 | C6 | 1.1° | 0.0° |
| C3 | C2 | C7 | C1 | 179.6° | 179.7° |
| C3 | C2 | C7 | N8 | 177.8° | 179.7° |
| C3 | C2 | C1 | H1 | 89.8° | 94.7° |
| C3 | C2 | C1 | H2 | 150.2° | 25.3° |
| C3 | C2 | C1 | H3 | 30.2° | 145.3° |
| C2 | C3 | C4 | H4 | 179.1° | 180.0° |
| C21 | N22 | C44 | H35 | 0.8° | 90.0° |
| C21 | N22 | C44 | H36 | 120.8° | 150.0° |
| C21 | N22 | C44 | H37 | 119.2° | 30.0° |
| C44 | N22 | C21 | H17 | 0.8° | 0.0° |
| N22 | C44 | H35 | H36 | 120.0° | 120.0° |
| N22 | C44 | H35 | H37 | 120.0° | 120.0° |
| N22 | C44 | H36 | H37 | 120.0° | 120.0° |
| C6 | C7 | C2 | N8 | 176.7° | 179.7° |
| C6 | C7 | C2 | C1 | 179.3° | 179.7° |
| C6 | C7 | N8 | C9 | 101.4° | 34.5° |
| C7 | C6 | C5 | H5 | 179.4° | 180.0° |
| C6 | C7 | N8 | H7 | 78.6° | 145.5° |
| C2 | C7 | N8 | C9 | 81.9° | 145.2° |
| C7 | C2 | C1 | H1 | 89.8° | 85.0° |
| C7 | C2 | C1 | H2 | 30.2° | 155.0° |
| C7 | C2 | C1 | H3 | 150.2° | 34.9° |
| C2 | C7 | C6 | H6 | 178.6° | 180.0° |
| C2 | C7 | N8 | H7 | 98.1° | 34.8° |
| C1 | C2 | C7 | N8 | 2.6° | 0.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C7 | N8 | C9 | H7 | 180.0° | 180.0° |
| C7 | N8 | C9 | O10 | 1.6° | 4.0° |
| C7 | N8 | C9 | C11 | 174.3° | 175.9° |
| N8 | C7 | C6 | H6 | 2.1° | 0.3° |
| N8 | C9 | O10 | C11 | 176.1° | 180.0° |
| N8 | C9 | C11 | C12 | 18.2° | 179.9° |
| N8 | C9 | C11 | S15 | 168.3° | 0.4° |
| O10 | C9 | C11 | C12 | 157.9° | 0.1° |
| O10 | C9 | C11 | S15 | 15.6° | 179.6° |
| O10 | C9 | N8 | H7 | 178.4° | 176.0° |
| C9 | C11 | C12 | S15 | 174.1° | 179.6° |
| C9 | C11 | C12 | C13 | 176.4° | 180.0° |
| C9 | C11 | S15 | C14 | 177.2° | 180.0° |
| C11 | C9 | N8 | H7 | 5.7° | 4.0° |
| C9 | C11 | C12 | H8 | 3.5° | 0.2° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C12 | C11 | S15 | C14 | 2.5° | 0.4° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C11 | C12 | C13 | C19 | 178.2° | 179.9° |
| S15 | C11 | C12 | C13 | 2.3° | 0.3° |
| C11 | S15 | C14 | C13 | 2.1° | 0.4° |
| C11 | S15 | C14 | C16 | 179.3° | 179.9° |
| S15 | C11 | C12 | H8 | 177.7° | 179.8° |
| C12 | C13 | C14 | S15 | 1.2° | 0.3° |
| C12 | C13 | C14 | C19 | 179.0° | 180.0° |
| C12 | C13 | C14 | C16 | 179.8° | 180.0° |
| C12 | C13 | C19 | C18 | 159.0° | 162.7° |
| C12 | C13 | C19 | H15 | 81.1° | 77.5° |
| C12 | C13 | C19 | H16 | 39.0° | 42.9° |
| S15 | C14 | C13 | C16 | 178.6° | 179.7° |
| S15 | C14 | C13 | C19 | 179.8° | 179.8° |
| S15 | C14 | C16 | C17 | 168.9° | 163.7° |
| S15 | C14 | C16 | H9 | 71.0° | 76.5° |
| S15 | C14 | C16 | H10 | 48.8° | 43.9° |
| C14 | C13 | C19 | C18 | 22.1° | 17.4° |
| C13 | C14 | C16 | C17 | 12.7° | 16.6° |
| C14 | C13 | C12 | H8 | 179.2° | 179.9° |
| C13 | C14 | C16 | H9 | 107.4° | 103.2° |
| C13 | C14 | C16 | H10 | 132.8° | 136.4° |
| C14 | C13 | C19 | H15 | 97.9° | 102.4° |
| C14 | C13 | C19 | H16 | 142.1° | 137.1° |
| C19 | C13 | C14 | C16 | 1.2° | 0.1° |
| C13 | C19 | C18 | H15 | 119.9° | 119.8° |
| C13 | C19 | C18 | H16 | 120.0° | 119.7° |
| C13 | C19 | C18 | C17 | 54.7° | 51.1° |
| C19 | C13 | C12 | H8 | 1.8° | 0.0° |
| C13 | C19 | C18 | H13 | 174.8° | 68.8° |
| C13 | C19 | C18 | H14 | 65.3° | 171.1° |
| C13 | C19 | H15 | H16 | 120.1° | 120.3° |
| C14 | C16 | C17 | H9 | 120.1° | 119.8° |
| C14 | C16 | C17 | H10 | 120.1° | 119.7° |
| C14 | C16 | C17 | C18 | 44.5° | 50.1° |
| C14 | C16 | H9 | H10 | 119.7° | 120.3° |
| C14 | C16 | C17 | H11 | 164.5° | 169.9° |
| C14 | C16 | C17 | H12 | 75.5° | 69.8° |
| C19 | C18 | C17 | C16 | 68.4° | 70.9° |
| C19 | C18 | C17 | H13 | 120.0° | 119.9° |
| C19 | C18 | C17 | H14 | 120.0° | 120.0° |
| C19 | C18 | C17 | H11 | 171.6° | 169.3° |
| C19 | C18 | C17 | H12 | 51.5° | 49.1° |
| C19 | C18 | H13 | H14 | 119.9° | 120.1° |
| C18 | C19 | H15 | H16 | 120.1° | 120.3° |
| C16 | C17 | C18 | H11 | 120.0° | 119.8° |
| C16 | C17 | C18 | H12 | 120.0° | 119.9° |
| C17 | C16 | H9 | H10 | 119.7° | 120.5° |
| C16 | C17 | H11 | H12 | 120.1° | 120.2° |
| C16 | C17 | C18 | H13 | 171.5° | 49.0° |
| C16 | C17 | C18 | H14 | 51.6° | 169.2° |
| C18 | C17 | C16 | H9 | 75.6° | 69.6° |
| C18 | C17 | C16 | H10 | 164.6° | 169.8° |
| C18 | C17 | H11 | H12 | 120.1° | 120.3° |
| C17 | C18 | H13 | H14 | 119.9° | 120.1° |
| C17 | C18 | C19 | H15 | 65.2° | 68.7° |
| C17 | C18 | C19 | H16 | 174.7° | 170.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.6° | 0.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.0° |
| H9 | C16 | C17 | H11 | 44.4° | 50.2° |
| H9 | C16 | C17 | H12 | 164.5° | 170.4° |
| H10 | C16 | C17 | H11 | 75.4° | 70.4° |
| H10 | C16 | C17 | H12 | 44.6° | 49.9° |
| H11 | C17 | C18 | H13 | 51.6° | 70.8° |
| H11 | C17 | C18 | H14 | 68.3° | 49.3° |
| H12 | C17 | C18 | H13 | 68.5° | 169.0° |
| H12 | C17 | C18 | H14 | 171.6° | 70.9° |
| H13 | C18 | C19 | H15 | 54.8° | 171.4° |
| H13 | C18 | C19 | H16 | 65.2° | 50.9° |
| H14 | C18 | C19 | H15 | 174.8° | 51.3° |
| H14 | C18 | C19 | H16 | 54.7° | 69.2° |
| H19 | C29 | C30 | H20 | 0.0° | 0.0° |
| H21 | C32 | C33 | H22 | 0.5° | 0.2° |
| H24 | C39 | C40 | H26 | 60.8° | 49.9° |
| H24 | C39 | C40 | H27 | 59.6° | 170.4° |
| H25 | C39 | C40 | H26 | 59.3° | 69.9° |
| H25 | C39 | C40 | H27 | 179.7° | 50.6° |
| H29 | C42 | H30 | H31 | 120.0° | 120.0° |
| H32 | C43 | H33 | H34 | 120.0° | 119.9° |
| H35 | C44 | H36 | H37 | 120.0° | 120.0° |
