A1IJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| O24 | C23 | doub | 1.22Å | 1.22Å | |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C7 | doub | 1.32Å | 1.32Å | Aromatic |
| N6 | C5 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C25 | sing | 1.47Å | 1.48Å | |
| C23 | O22 | sing | 1.35Å | 1.35Å | |
| C25 | C30 | doub | 1.41Å | 1.43Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.48Å | 1.48Å | |
| N16 | C15 | sing | 1.38Å | 1.38Å | |
| O22 | C21 | sing | 1.35Å | 1.36Å | |
| C30 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.47Å | 1.49Å | |
| C8 | C17 | sing | 1.46Å | 1.47Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.31Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | N14 | doub | 1.33Å | 1.34Å | Aromatic |
| C17 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| N9 | N10 | sing | 1.40Å | 1.39Å | Aromatic |
| N14 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | C31 | doub | 1.36Å | 1.38Å | |
| C21 | C18 | sing | 1.51Å | 1.52Å | |
| C31 | C32 | sing | 1.48Å | 1.49Å | |
| C11 | N10 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | N12 | sing | 1.33Å | 1.34Å | Aromatic |
| N10 | C18 | sing | 1.46Å | 1.46Å | |
| C13 | N12 | doub | 1.31Å | 1.32Å | Aromatic |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C32 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | N41 | sing | 1.47Å | 1.47Å | |
| C45 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | N38 | sing | 1.47Å | 1.48Å | |
| C42 | N41 | sing | 1.47Å | 1.49Å | |
| N38 | C37 | sing | 1.47Å | 1.48Å | |
| N38 | C39 | sing | 1.47Å | 1.48Å | |
| N41 | C40 | sing | 1.47Å | 1.47Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C33 | H6 | sing | 1.08Å | 1.08Å | |
| C34 | H7 | sing | 1.08Å | 1.08Å | |
| C35 | H8 | sing | 1.08Å | 1.08Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å | |
| C39 | H11 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 120.0° | 119.3° |
| C26 | C27 | C28 | 120.6° | 120.6° |
| C26 | C27 | H5 | 119.7° | 119.7° |
| C27 | C26 | H22 | 120.0° | 120.3° |
| C26 | C25 | C23 | 122.1° | 123.1° |
| C26 | C25 | C30 | 119.7° | 120.0° |
| C25 | C26 | H22 | 120.0° | 120.4° |
| O24 | C23 | C25 | 122.2° | 121.5° |
| O24 | C23 | O22 | 118.7° | 121.6° |
| C27 | C28 | C29 | 120.8° | 120.9° |
| C28 | C27 | H5 | 119.7° | 119.7° |
| C27 | C28 | H23 | 119.6° | 119.6° |
| C7 | N6 | C5 | 121.8° | 121.9° |
| N6 | C7 | C2 | 121.1° | 121.0° |
| N6 | C7 | H3 | 119.5° | 119.5° |
| N6 | C5 | C4 | 120.8° | 120.7° |
| N6 | C5 | H2 | 119.6° | 119.7° |
| C7 | C2 | O1 | 119.8° | 120.4° |
| C7 | C2 | C3 | 119.3° | 119.2° |
| C2 | C7 | H3 | 119.4° | 119.5° |
| C5 | C4 | C3 | 118.9° | 119.0° |
| C5 | C4 | C8 | 118.7° | 120.5° |
| C4 | C5 | H2 | 119.6° | 119.6° |
| C25 | C23 | O22 | 119.1° | 116.9° |
| C23 | C25 | C30 | 118.2° | 116.8° |
| C23 | O22 | C21 | 123.5° | 117.9° |
| C25 | C30 | C29 | 118.7° | 119.7° |
| C25 | C30 | C31 | 118.1° | 117.3° |
| C28 | C29 | C30 | 120.3° | 119.4° |
| C29 | C28 | H23 | 119.6° | 119.5° |
| C28 | C29 | H24 | 119.9° | 120.3° |
| O1 | C2 | C3 | 120.9° | 120.4° |
| C2 | O1 | H15 | 109.5° | 114.0° |
| C2 | C3 | C4 | 118.1° | 118.3° |
| C2 | C3 | H1 | 120.9° | 120.9° |
| C3 | C4 | C8 | 122.4° | 120.5° |
| C4 | C3 | H1 | 120.9° | 120.8° |
| C4 | C8 | C17 | 131.3° | 126.3° |
| C4 | C8 | N9 | 121.1° | 126.3° |
| N16 | C15 | C17 | 123.3° | 120.8° |
| N16 | C15 | N14 | 118.0° | 120.8° |
| C15 | N16 | H17 | 109.5° | 120.0° |
| C15 | N16 | H18 | 109.5° | 120.0° |
| O22 | C21 | C31 | 122.2° | 121.8° |
| O22 | C21 | C18 | 115.1° | 119.1° |
| C29 | C30 | C31 | 123.2° | 123.0° |
| C30 | C29 | H24 | 119.9° | 120.4° |
| C30 | C31 | C21 | 118.9° | 118.6° |
| C30 | C31 | C32 | 119.4° | 120.7° |
| C17 | C8 | N9 | 107.6° | 107.4° |
| C8 | C17 | C15 | 137.7° | 135.0° |
| C8 | C17 | C11 | 105.2° | 106.4° |
| C8 | N9 | N10 | 110.6° | 109.9° |
| C17 | C15 | N14 | 118.7° | 118.3° |
| C15 | C17 | C11 | 117.1° | 118.6° |
| C15 | N14 | C13 | 121.6° | 121.1° |
| C17 | C11 | N10 | 107.4° | 106.9° |
| C17 | C11 | N12 | 119.4° | 118.6° |
| N9 | N10 | C11 | 109.3° | 109.4° |
| N9 | N10 | C18 | 125.2° | 125.3° |
| N14 | C13 | N12 | 122.2° | 122.7° |
| N14 | C13 | H16 | 118.9° | 118.7° |
| C31 | C21 | C18 | 122.8° | 119.1° |
| C21 | C31 | C32 | 121.7° | 120.6° |
| C21 | C18 | N10 | 106.4° | 109.5° |
| C21 | C18 | C20 | 110.4° | 109.5° |
| C21 | C18 | H4 | 109.1° | 109.5° |
| C31 | C32 | C45 | 120.0° | 120.2° |
| C31 | C32 | C33 | 119.9° | 120.1° |
| N10 | C11 | N12 | 133.2° | 134.5° |
| C11 | N10 | C18 | 125.5° | 125.3° |
| C11 | N12 | C13 | 121.0° | 120.7° |
| N10 | C18 | C20 | 112.1° | 109.5° |
| N10 | C18 | H4 | 109.9° | 109.5° |
| N12 | C13 | H16 | 118.9° | 118.7° |
| C20 | C18 | H4 | 108.9° | 109.4° |
| C18 | C20 | H19 | 109.5° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C20 | H21 | 109.5° | 109.5° |
| C45 | C32 | C33 | 120.1° | 119.7° |
| C32 | C45 | C36 | 119.9° | 119.9° |
| C32 | C45 | H34 | 120.0° | 120.1° |
| C32 | C33 | C34 | 119.5° | 119.9° |
| C32 | C33 | H6 | 120.2° | 120.1° |
| C44 | C43 | N41 | 109.6° | 109.4° |
| C43 | C44 | N38 | 110.7° | 109.4° |
| C44 | C43 | H30 | 109.4° | 109.5° |
| C44 | C43 | H31 | 109.4° | 109.4° |
| C43 | C44 | H32 | 109.2° | 109.5° |
| C43 | C44 | H33 | 109.2° | 109.5° |
| C43 | N41 | C42 | 112.7° | 111.0° |
| C43 | N41 | C40 | 111.1° | 110.9° |
| N41 | C43 | H30 | 109.4° | 109.5° |
| N41 | C43 | H31 | 109.4° | 109.5° |
| C45 | C36 | C37 | 120.8° | 119.9° |
| C45 | C36 | C35 | 119.6° | 120.1° |
| C36 | C45 | H34 | 120.1° | 120.0° |
| C44 | N38 | C37 | 110.2° | 111.0° |
| C44 | N38 | C39 | 110.9° | 110.9° |
| N38 | C44 | H32 | 109.2° | 109.5° |
| N38 | C44 | H33 | 109.2° | 109.5° |
| C42 | N41 | C40 | 110.9° | 111.0° |
| N41 | C42 | H27 | 109.5° | 109.4° |
| N41 | C42 | H28 | 109.5° | 109.5° |
| N41 | C42 | H29 | 109.5° | 109.5° |
| C37 | N38 | C39 | 112.5° | 111.0° |
| N38 | C37 | C36 | 111.6° | 109.4° |
| N38 | C37 | H9 | 108.9° | 109.4° |
| N38 | C37 | H10 | 108.9° | 109.4° |
| N38 | C39 | C40 | 110.2° | 109.4° |
| N38 | C39 | H11 | 109.3° | 109.5° |
| N38 | C39 | H12 | 109.3° | 109.5° |
| N41 | C40 | C39 | 109.4° | 109.3° |
| N41 | C40 | H13 | 109.5° | 109.5° |
| N41 | C40 | H14 | 109.5° | 109.4° |
| C33 | C34 | C35 | 119.9° | 120.1° |
| C34 | C33 | H6 | 120.3° | 120.1° |
| C33 | C34 | H7 | 120.1° | 119.9° |
| C37 | C36 | C35 | 119.6° | 119.9° |
| C36 | C37 | H9 | 108.9° | 109.5° |
| C36 | C37 | H10 | 109.0° | 109.5° |
| C36 | C35 | C34 | 121.0° | 120.2° |
| C36 | C35 | H8 | 119.5° | 119.9° |
| C40 | C39 | H11 | 109.3° | 109.5° |
| C40 | C39 | H12 | 109.3° | 109.5° |
| C39 | C40 | H13 | 109.5° | 109.6° |
| C39 | C40 | H14 | 109.5° | 109.5° |
| C35 | C34 | H7 | 120.0° | 119.9° |
| C34 | C35 | H8 | 119.5° | 119.9° |
| H9 | C37 | H10 | 109.5° | 109.5° |
| H11 | C39 | H12 | 109.5° | 109.4° |
| H13 | C40 | H14 | 109.5° | 109.5° |
| H17 | N16 | H18 | 109.4° | 120.0° |
| H19 | C20 | H20 | 109.4° | 109.4° |
| H19 | C20 | H21 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H27 | C42 | H28 | 109.5° | 109.5° |
| H27 | C42 | H29 | 109.5° | 109.4° |
| H28 | C42 | H29 | 109.4° | 109.5° |
| H30 | C43 | H31 | 109.5° | 109.5° |
| H32 | C44 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H22 | 180.0° | 179.9° |
| C26 | C27 | C28 | H5 | 180.0° | 179.2° |
| C27 | C26 | C25 | C23 | 179.6° | 179.8° |
| C27 | C26 | C25 | C30 | 0.4° | 0.4° |
| C26 | C27 | C28 | C29 | 0.3° | 0.7° |
| C26 | C27 | C28 | H23 | 179.7° | 179.2° |
| C26 | C25 | C23 | O24 | 0.4° | 24.8° |
| C25 | C26 | C27 | C28 | 0.4° | 0.5° |
| C26 | C25 | C23 | C30 | 179.9° | 179.8° |
| C26 | C25 | C23 | O22 | 179.7° | 155.0° |
| C26 | C25 | C30 | C29 | 0.4° | 0.5° |
| C26 | C25 | C30 | C31 | 180.0° | 180.0° |
| C25 | C26 | C27 | H5 | 179.6° | 179.7° |
| O24 | C23 | C25 | O22 | 179.3° | 179.8° |
| O24 | C23 | C25 | C30 | 179.7° | 155.1° |
| O24 | C23 | O22 | C21 | 179.9° | 140.8° |
| C27 | C28 | C29 | H23 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.8° |
| C28 | C27 | C26 | H22 | 179.6° | 179.4° |
| C27 | C28 | C29 | H24 | 179.8° | 179.2° |
| N6 | C7 | C2 | H3 | 180.0° | 179.7° |
| C7 | N6 | C5 | C4 | 1.1° | 0.3° |
| N6 | C7 | C2 | O1 | 179.7° | 179.7° |
| N6 | C7 | C2 | C3 | 1.5° | 0.6° |
| C7 | N6 | C5 | H2 | 178.9° | 179.7° |
| C5 | N6 | C7 | C2 | 1.2° | 0.6° |
| N6 | C5 | C4 | H2 | 180.0° | 180.0° |
| N6 | C5 | C4 | C3 | 1.4° | 0.0° |
| N6 | C5 | C4 | C8 | 178.8° | 179.9° |
| C5 | N6 | C7 | H3 | 178.8° | 179.6° |
| C7 | C2 | O1 | C3 | 178.7° | 179.7° |
| C7 | C2 | C3 | C4 | 1.7° | 0.3° |
| C7 | C2 | C3 | H1 | 178.3° | 179.8° |
| C7 | C2 | O1 | H15 | 180.0° | 90.3° |
| C5 | C4 | C3 | C2 | 1.6° | 0.0° |
| C5 | C4 | C3 | C8 | 177.4° | 179.9° |
| C5 | C4 | C8 | C17 | 140.4° | 135.3° |
| C5 | C4 | C8 | N9 | 40.4° | 44.3° |
| C5 | C4 | C3 | H1 | 178.4° | 180.0° |
| C25 | C23 | O22 | C21 | 0.6° | 39.4° |
| C23 | C25 | C30 | C29 | 179.7° | 179.7° |
| C23 | C25 | C30 | C31 | 0.0° | 0.1° |
| C23 | C25 | C26 | H22 | 0.4° | 0.4° |
| O22 | C23 | C25 | C30 | 0.3° | 25.1° |
| C23 | O22 | C21 | C31 | 0.5° | 28.0° |
| C23 | O22 | C21 | C18 | 179.8° | 152.3° |
| C25 | C30 | C29 | C28 | 0.3° | 0.7° |
| C25 | C30 | C29 | C31 | 179.6° | 179.5° |
| C25 | C30 | C31 | C21 | 0.0° | 11.6° |
| C25 | C30 | C31 | C32 | 180.0° | 168.4° |
| C30 | C25 | C26 | H22 | 179.5° | 179.5° |
| C25 | C30 | C29 | H24 | 179.8° | 179.3° |
| C28 | C29 | C30 | H24 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 179.9° | 179.8° |
| C29 | C28 | C27 | H5 | 179.7° | 179.9° |
| O1 | C2 | C3 | C4 | 179.6° | 180.0° |
| O1 | C2 | C3 | H1 | 0.4° | 0.0° |
| O1 | C2 | C7 | H3 | 0.3° | 0.1° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C8 | 179.0° | 180.0° |
| C3 | C2 | C7 | H3 | 178.5° | 179.7° |
| C3 | C2 | O1 | H15 | 1.3° | 90.0° |
| C3 | C4 | C8 | C17 | 42.3° | 44.8° |
| C3 | C4 | C8 | N9 | 137.0° | 135.6° |
| C3 | C4 | C5 | H2 | 178.7° | 180.0° |
| C4 | C8 | C17 | N9 | 179.3° | 179.7° |
| C4 | C8 | C17 | C15 | 0.6° | 0.1° |
| C4 | C8 | C17 | C11 | 179.4° | 180.0° |
| C4 | C8 | N9 | N10 | 179.3° | 180.0° |
| C8 | C4 | C3 | H1 | 1.0° | 0.0° |
| C8 | C4 | C5 | H2 | 1.2° | 0.0° |
| N16 | C15 | C17 | C8 | 0.5° | 0.0° |
| N16 | C15 | C17 | N14 | 179.3° | 180.0° |
| N16 | C15 | C17 | C11 | 179.5° | 180.0° |
| N16 | C15 | N14 | C13 | 179.7° | 179.7° |
| C15 | N16 | H17 | H18 | 120.0° | 179.9° |
| O22 | C21 | C31 | C30 | 0.2° | 1.6° |
| O22 | C21 | C31 | C18 | 179.7° | 179.8° |
| O22 | C21 | C31 | C32 | 179.8° | 178.3° |
| O22 | C21 | C18 | N10 | 42.5° | 60.2° |
| O22 | C21 | C18 | C20 | 79.4° | 59.7° |
| O22 | C21 | C18 | H4 | 161.0° | 179.7° |
| C29 | C30 | C31 | C21 | 179.6° | 167.9° |
| C29 | C30 | C31 | C32 | 0.4° | 12.1° |
| C30 | C29 | C28 | H23 | 179.7° | 179.1° |
| C30 | C31 | C21 | C32 | 180.0° | 180.0° |
| C30 | C31 | C21 | C18 | 179.9° | 178.6° |
| C30 | C31 | C32 | C45 | 73.2° | 65.0° |
| C30 | C31 | C32 | C33 | 106.8° | 115.2° |
| C31 | C30 | C29 | H24 | 0.1° | 0.2° |
| C8 | C17 | C15 | C11 | 180.0° | 180.0° |
| C8 | C17 | C15 | N14 | 179.8° | 180.0° |
| C17 | C8 | N9 | N10 | 0.1° | 0.3° |
| C8 | C17 | C11 | N10 | 0.3° | 0.1° |
| C8 | C17 | C11 | N12 | 179.9° | 179.8° |
| N9 | C8 | C17 | C15 | 179.9° | 179.8° |
| N9 | C8 | C17 | C11 | 0.1° | 0.3° |
| C8 | N9 | N10 | C11 | 0.2° | 0.2° |
| C8 | N9 | N10 | C18 | 178.7° | 179.9° |
| C17 | C15 | N14 | C13 | 0.3° | 0.3° |
| C15 | C17 | C11 | N10 | 179.7° | 179.9° |
| C15 | C17 | C11 | N12 | 0.1° | 0.1° |
| C17 | C15 | N16 | H17 | 179.3° | 16.0° |
| C17 | C15 | N16 | H18 | 59.4° | 164.1° |
| N14 | C15 | C17 | C11 | 0.2° | 0.0° |
| C15 | N14 | C13 | N12 | 0.5° | 0.4° |
| C15 | N14 | C13 | H16 | 179.6° | 179.9° |
| N14 | C15 | N16 | H17 | 0.0° | 164.0° |
| N14 | C15 | N16 | H18 | 120.0° | 15.8° |
| C17 | C11 | N10 | N9 | 0.3° | 0.1° |
| C17 | C11 | N10 | N12 | 179.8° | 179.9° |
| C17 | C11 | N10 | C18 | 178.8° | 180.0° |
| C17 | C11 | N12 | C13 | 0.2° | 0.0° |
| N9 | N10 | C18 | C21 | 82.8° | 60.1° |
| N9 | N10 | C11 | C18 | 178.5° | 179.9° |
| N9 | N10 | C11 | N12 | 179.9° | 180.0° |
| N9 | N10 | C18 | C20 | 38.0° | 59.9° |
| N9 | N10 | C18 | H4 | 159.3° | 179.9° |
| N14 | C13 | N12 | C11 | 0.4° | 0.3° |
| N14 | C13 | N12 | H16 | 180.0° | 179.7° |
| C31 | C21 | C18 | N10 | 137.8° | 120.0° |
| C31 | C21 | C18 | C20 | 100.3° | 120.0° |
| C21 | C31 | C32 | C45 | 106.8° | 115.0° |
| C21 | C31 | C32 | C33 | 73.2° | 64.8° |
| C31 | C21 | C18 | H4 | 19.3° | 0.1° |
| C18 | C21 | C31 | C32 | 0.1° | 1.4° |
| C21 | C18 | N10 | C11 | 95.4° | 120.1° |
| C21 | C18 | N10 | C20 | 120.8° | 120.0° |
| C21 | C18 | N10 | H4 | 118.0° | 120.0° |
| C21 | C18 | C20 | H4 | 119.7° | 120.0° |
| C21 | C18 | C20 | H19 | 180.0° | 60.0° |
| C21 | C18 | C20 | H20 | 60.0° | 180.0° |
| C21 | C18 | C20 | H21 | 60.0° | 60.0° |
| C31 | C32 | C45 | C33 | 180.0° | 179.8° |
| C31 | C32 | C45 | C36 | 179.9° | 179.7° |
| C31 | C32 | C33 | C34 | 179.8° | 180.0° |
| C31 | C32 | C33 | H6 | 0.2° | 0.0° |
| C31 | C32 | C45 | H34 | 0.1° | 0.0° |
| N10 | C11 | N12 | C13 | 179.6° | 179.9° |
| C11 | N10 | C18 | C20 | 143.8° | 120.0° |
| C11 | N10 | C18 | H4 | 22.5° | 0.1° |
| N12 | C11 | N10 | C18 | 1.5° | 0.1° |
| C11 | N12 | C13 | H16 | 179.6° | 179.9° |
| N10 | C18 | C20 | H4 | 121.9° | 120.1° |
| N10 | C18 | C20 | H19 | 61.5° | 180.0° |
| N10 | C18 | C20 | H20 | 58.4° | 60.1° |
| N10 | C18 | C20 | H21 | 178.4° | 60.0° |
| C18 | C20 | H19 | H20 | 120.0° | 120.0° |
| C18 | C20 | H19 | H21 | 120.0° | 120.0° |
| C18 | C20 | H20 | H21 | 120.0° | 120.1° |
| C32 | C45 | C36 | H34 | 180.0° | 179.7° |
| C45 | C32 | C33 | C34 | 0.2° | 0.2° |
| C32 | C45 | C36 | C37 | 179.8° | 179.7° |
| C32 | C45 | C36 | C35 | 0.4° | 0.5° |
| C45 | C32 | C33 | H6 | 179.8° | 179.8° |
| C33 | C32 | C45 | C36 | 0.1° | 0.5° |
| C32 | C33 | C34 | H6 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.1° |
| C32 | C33 | C34 | H7 | 179.8° | 180.0° |
| C33 | C32 | C45 | H34 | 179.9° | 179.8° |
| C44 | C43 | N41 | H30 | 120.0° | 120.0° |
| C44 | C43 | N41 | H31 | 120.0° | 120.0° |
| C43 | C44 | N38 | H32 | 120.2° | 120.0° |
| C43 | C44 | N38 | H33 | 120.2° | 119.9° |
| C44 | C43 | N41 | C42 | 175.9° | 176.8° |
| C43 | C44 | N38 | C37 | 178.3° | 176.8° |
| C43 | C44 | N38 | C39 | 56.4° | 59.2° |
| C44 | C43 | N41 | C40 | 58.9° | 59.3° |
| C44 | C43 | H30 | H31 | 119.9° | 120.0° |
| C43 | C44 | H32 | H33 | 119.4° | 120.0° |
| N41 | C43 | C44 | N38 | 56.7° | 58.4° |
| C43 | N41 | C42 | C40 | 125.3° | 123.9° |
| C43 | N41 | C40 | C39 | 59.7° | 59.3° |
| C43 | N41 | C40 | H13 | 60.3° | 179.3° |
| C43 | N41 | C40 | H14 | 179.7° | 60.6° |
| C43 | N41 | C42 | H27 | 180.0° | 63.8° |
| C43 | N41 | C42 | H28 | 60.0° | 56.1° |
| C43 | N41 | C42 | H29 | 60.0° | 176.2° |
| N41 | C43 | H30 | H31 | 119.9° | 120.1° |
| N41 | C43 | C44 | H32 | 63.5° | 178.4° |
| N41 | C43 | C44 | H33 | 176.9° | 61.6° |
| C45 | C36 | C37 | N38 | 83.9° | 89.7° |
| C45 | C36 | C37 | C35 | 179.8° | 179.7° |
| C45 | C36 | C35 | C34 | 0.4° | 0.3° |
| C45 | C36 | C35 | H8 | 179.6° | 179.8° |
| C45 | C36 | C37 | H9 | 155.8° | 30.2° |
| C45 | C36 | C37 | H10 | 36.5° | 150.3° |
| C44 | N38 | C37 | C39 | 124.3° | 123.8° |
| C44 | N38 | C37 | C36 | 161.9° | 66.2° |
| C44 | N38 | C39 | C40 | 57.1° | 59.3° |
| C44 | N38 | C37 | H9 | 77.8° | 53.8° |
| C44 | N38 | C37 | H10 | 41.5° | 173.8° |
| C44 | N38 | C39 | H11 | 63.0° | 179.3° |
| C44 | N38 | C39 | H12 | 177.2° | 60.8° |
| N38 | C44 | C43 | H30 | 63.3° | 178.4° |
| N38 | C44 | C43 | H31 | 176.7° | 61.6° |
| N38 | C44 | H32 | H33 | 119.5° | 120.0° |
| C42 | N41 | C40 | C39 | 174.1° | 176.8° |
| C42 | N41 | C40 | H13 | 65.9° | 56.8° |
| C42 | N41 | C40 | H14 | 54.1° | 63.3° |
| N41 | C42 | H27 | H28 | 120.0° | 120.0° |
| N41 | C42 | H27 | H29 | 120.0° | 120.0° |
| N41 | C42 | H28 | H29 | 120.0° | 120.1° |
| C42 | N41 | C43 | H30 | 64.1° | 56.8° |
| C42 | N41 | C43 | H31 | 55.9° | 63.3° |
| N38 | C37 | C36 | H9 | 120.3° | 119.9° |
| N38 | C37 | C36 | H10 | 120.3° | 119.9° |
| N38 | C37 | C36 | C35 | 96.4° | 90.0° |
| C37 | N38 | C39 | C40 | 178.9° | 176.8° |
| N38 | C37 | H9 | H10 | 119.0° | 119.9° |
| C37 | N38 | C39 | H11 | 61.0° | 56.8° |
| C37 | N38 | C39 | H12 | 58.8° | 63.2° |
| C37 | N38 | C44 | H32 | 61.5° | 56.8° |
| C37 | N38 | C44 | H33 | 58.2° | 63.2° |
| N38 | C39 | C40 | N41 | 58.1° | 58.3° |
| C39 | N38 | C37 | C36 | 73.8° | 170.0° |
| N38 | C39 | C40 | H11 | 120.1° | 120.0° |
| N38 | C39 | C40 | H12 | 120.1° | 120.0° |
| C39 | N38 | C37 | H9 | 46.5° | 70.0° |
| C39 | N38 | C37 | H10 | 165.8° | 50.0° |
| N38 | C39 | H11 | H12 | 119.6° | 120.0° |
| N38 | C39 | C40 | H13 | 61.8° | 178.3° |
| N38 | C39 | C40 | H14 | 178.1° | 61.6° |
| C39 | N38 | C44 | H32 | 63.7° | 179.2° |
| C39 | N38 | C44 | H33 | 176.6° | 60.7° |
| N41 | C40 | C39 | H13 | 120.0° | 120.0° |
| N41 | C40 | C39 | H14 | 120.0° | 119.9° |
| N41 | C40 | C39 | H11 | 62.0° | 178.3° |
| N41 | C40 | C39 | H12 | 178.3° | 61.7° |
| N41 | C40 | H13 | H14 | 120.1° | 120.0° |
| C40 | N41 | C42 | H27 | 54.7° | 60.1° |
| C40 | N41 | C42 | H28 | 65.4° | 180.0° |
| C40 | N41 | C42 | H29 | 174.7° | 59.9° |
| C40 | N41 | C43 | H30 | 61.1° | 179.3° |
| C40 | N41 | C43 | H31 | 178.9° | 60.7° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H7 | 180.0° | 179.9° |
| C33 | C34 | C35 | H8 | 179.9° | 179.9° |
| C37 | C36 | C35 | C34 | 179.8° | 180.0° |
| C37 | C36 | C35 | H8 | 0.2° | 0.0° |
| C36 | C37 | H9 | H10 | 119.0° | 120.1° |
| C37 | C36 | C45 | H34 | 0.2° | 0.0° |
| C36 | C35 | C34 | H8 | 180.0° | 179.9° |
| C36 | C35 | C34 | H7 | 179.9° | 180.0° |
| C35 | C36 | C37 | H9 | 24.0° | 150.1° |
| C35 | C36 | C37 | H10 | 143.3° | 29.9° |
| C35 | C36 | C45 | H34 | 179.6° | 179.7° |
| C40 | C39 | H11 | H12 | 119.7° | 120.0° |
| C39 | C40 | H13 | H14 | 120.0° | 120.1° |
| C35 | C34 | C33 | H6 | 179.8° | 179.9° |
| H4 | C18 | C20 | H19 | 60.3° | 60.0° |
| H4 | C18 | C20 | H20 | 179.7° | 60.0° |
| H4 | C18 | C20 | H21 | 59.7° | 179.9° |
| H5 | C27 | C26 | H22 | 0.5° | 0.2° |
| H5 | C27 | C28 | H23 | 0.4° | 0.0° |
| H6 | C33 | C34 | H7 | 0.2° | 0.0° |
| H7 | C34 | C35 | H8 | 0.1° | 0.0° |
| H11 | C39 | C40 | H13 | 178.1° | 61.7° |
| H11 | C39 | C40 | H14 | 58.0° | 58.5° |
| H12 | C39 | C40 | H13 | 58.3° | 58.3° |
| H12 | C39 | C40 | H14 | 61.7° | 178.4° |
| H19 | C20 | H20 | H21 | 120.0° | 119.9° |
| H23 | C28 | C29 | H24 | 0.2° | 0.9° |
| H27 | C42 | H28 | H29 | 120.0° | 119.9° |
| H30 | C43 | C44 | H32 | 176.5° | 61.6° |
| H30 | C43 | C44 | H33 | 56.8° | 58.4° |
| H31 | C43 | C44 | H32 | 56.5° | 58.4° |
| H31 | C43 | C44 | H33 | 63.1° | 178.4° |
