07S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O58 | C41 | doub | 1.21Å | 1.22Å | |
| C41 | N44 | sing | 1.35Å | 1.38Å | |
| C41 | C40 | sing | 1.51Å | 1.50Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | N26 | sing | 1.47Å | 1.46Å | |
| C30 | N29 | sing | 1.47Å | 1.50Å | |
| N44 | C45 | sing | 1.47Å | 1.45Å | |
| N44 | C49 | sing | 1.47Å | 1.45Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| N29 | C40 | sing | 1.47Å | 1.48Å | |
| N29 | C28 | sing | 1.47Å | 1.50Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C27 | N26 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| N26 | C21 | sing | 1.39Å | 1.42Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| N16 | C17 | sing | 1.39Å | 1.40Å | |
| N16 | C13 | sing | 1.39Å | 1.36Å | |
| C46 | O47 | sing | 1.43Å | 1.43Å | |
| N14 | C13 | doub | 1.30Å | 1.32Å | Aromatic |
| N14 | C15 | sing | 1.32Å | 1.37Å | Aromatic |
| O47 | C48 | sing | 1.43Å | 1.43Å | |
| C17 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | S12 | sing | 1.71Å | 1.73Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C11 | doub | 1.35Å | 1.38Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| S12 | C11 | sing | 1.76Å | 1.72Å | Aromatic |
| C11 | C4 | sing | 1.48Å | 1.45Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| N6 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| N16 | H6 | sing | 0.97Å | 1.00Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C45 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C48 | H25 | sing | 1.09Å | 1.10Å | |
| C48 | H26 | sing | 1.09Å | 1.10Å | |
| C49 | H27 | sing | 1.09Å | 1.10Å | |
| C49 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O58 | C41 | N44 | 126.0° | 120.0° |
| O58 | C41 | C40 | 121.6° | 120.0° |
| N44 | C41 | C40 | 112.5° | 120.0° |
| C41 | N44 | C45 | 119.9° | 121.0° |
| C41 | N44 | C49 | 121.5° | 121.0° |
| C41 | C40 | N29 | 108.4° | 109.5° |
| C41 | C40 | H19 | 109.8° | 109.5° |
| C41 | C40 | H20 | 109.8° | 109.5° |
| C30 | C31 | N26 | 105.9° | 109.4° |
| C31 | C30 | N29 | 111.5° | 109.4° |
| C31 | C30 | H15 | 108.8° | 109.5° |
| C31 | C30 | H16 | 108.8° | 109.5° |
| C30 | C31 | H17 | 110.7° | 109.5° |
| C30 | C31 | H18 | 110.7° | 109.5° |
| C31 | N26 | C27 | 117.7° | 110.9° |
| C31 | N26 | C21 | 119.0° | 111.0° |
| N26 | C31 | H17 | 110.6° | 109.5° |
| N26 | C31 | H18 | 110.6° | 109.5° |
| C30 | N29 | C40 | 109.7° | 111.0° |
| C30 | N29 | C28 | 118.3° | 110.9° |
| N29 | C30 | H15 | 108.8° | 109.5° |
| N29 | C30 | H16 | 108.8° | 109.5° |
| C45 | N44 | C49 | 118.3° | 118.0° |
| N44 | C45 | C46 | 110.9° | 108.4° |
| N44 | C45 | H21 | 109.0° | 109.7° |
| N44 | C45 | H22 | 109.0° | 109.7° |
| N44 | C49 | C48 | 110.1° | 108.6° |
| N44 | C49 | H27 | 109.3° | 109.7° |
| N44 | C49 | H28 | 109.3° | 109.7° |
| C45 | C46 | O47 | 110.0° | 109.2° |
| C46 | C45 | H21 | 109.0° | 109.7° |
| C46 | C45 | H22 | 109.0° | 109.7° |
| C45 | C46 | H23 | 109.3° | 109.5° |
| C45 | C46 | H24 | 109.3° | 109.5° |
| C40 | N29 | C28 | 110.6° | 111.0° |
| N29 | C40 | H19 | 109.8° | 109.5° |
| N29 | C40 | H20 | 109.9° | 109.4° |
| N29 | C28 | C27 | 109.9° | 109.3° |
| N29 | C28 | H12 | 109.3° | 109.5° |
| N29 | C28 | H13 | 109.3° | 109.5° |
| C49 | C48 | O47 | 109.7° | 109.3° |
| C49 | C48 | H25 | 109.4° | 109.6° |
| C49 | C48 | H26 | 109.4° | 109.5° |
| C48 | C49 | H27 | 109.3° | 109.6° |
| C48 | C49 | H28 | 109.3° | 109.5° |
| N26 | C27 | C28 | 107.0° | 109.4° |
| C27 | N26 | C21 | 117.7° | 111.1° |
| N26 | C27 | H10 | 110.3° | 109.5° |
| N26 | C27 | H11 | 110.3° | 109.5° |
| C28 | C27 | H10 | 110.3° | 109.5° |
| C28 | C27 | H11 | 110.3° | 109.5° |
| C27 | C28 | H12 | 109.3° | 109.5° |
| C27 | C28 | H13 | 109.3° | 109.5° |
| N26 | C21 | C22 | 123.0° | 120.9° |
| N26 | C21 | C20 | 119.6° | 120.8° |
| C21 | C22 | C17 | 120.5° | 119.0° |
| C22 | C21 | C20 | 117.3° | 118.3° |
| C21 | C22 | H9 | 119.7° | 120.5° |
| C22 | C17 | N16 | 116.3° | 119.6° |
| C22 | C17 | N18 | 121.7° | 120.7° |
| C17 | C22 | H9 | 119.8° | 120.5° |
| C21 | C20 | C19 | 118.8° | 119.3° |
| C21 | C20 | H8 | 120.6° | 120.4° |
| C17 | N16 | C13 | 126.2° | 120.0° |
| N16 | C17 | N18 | 122.0° | 119.7° |
| C17 | N16 | H6 | 116.9° | 120.0° |
| N16 | C13 | N14 | 120.4° | 124.8° |
| N16 | C13 | S12 | 125.6° | 124.9° |
| C13 | N16 | H6 | 116.9° | 120.0° |
| C46 | O47 | C48 | 111.9° | 114.1° |
| O47 | C46 | H23 | 109.3° | 109.5° |
| O47 | C46 | H24 | 109.3° | 109.6° |
| C13 | N14 | C15 | 110.6° | 117.0° |
| N14 | C13 | S12 | 114.0° | 110.3° |
| N14 | C15 | C11 | 116.4° | 114.3° |
| N14 | C15 | H5 | 121.8° | 122.8° |
| O47 | C48 | H25 | 109.4° | 109.5° |
| O47 | C48 | H26 | 109.4° | 109.5° |
| C17 | N18 | C19 | 117.5° | 121.8° |
| C13 | S12 | C11 | 90.3° | 90.4° |
| C20 | C19 | N18 | 124.2° | 120.9° |
| C20 | C19 | H7 | 117.9° | 119.6° |
| C19 | C20 | H8 | 120.6° | 120.3° |
| C15 | C11 | S12 | 108.6° | 107.9° |
| C15 | C11 | C4 | 129.5° | 126.0° |
| C11 | C15 | H5 | 121.8° | 122.9° |
| N18 | C19 | H7 | 117.9° | 119.5° |
| S12 | C11 | C4 | 121.6° | 126.0° |
| C11 | C4 | C5 | 120.1° | 120.6° |
| C11 | C4 | C3 | 121.9° | 120.6° |
| C5 | C4 | C3 | 117.9° | 118.8° |
| C4 | C5 | N6 | 124.3° | 120.6° |
| C4 | C5 | H4 | 117.8° | 119.7° |
| C4 | C3 | C2 | 119.5° | 118.3° |
| C4 | C3 | H3 | 120.3° | 120.8° |
| C5 | N6 | C1 | 115.9° | 121.9° |
| N6 | C5 | H4 | 117.8° | 119.7° |
| C3 | C2 | C1 | 117.8° | 119.3° |
| C3 | C2 | H2 | 121.1° | 120.4° |
| C2 | C3 | H3 | 120.2° | 120.8° |
| N6 | C1 | C2 | 124.6° | 121.1° |
| N6 | C1 | H1 | 117.7° | 119.5° |
| C2 | C1 | H1 | 117.7° | 119.4° |
| C1 | C2 | H2 | 121.1° | 120.4° |
| H10 | C27 | H11 | 108.6° | 109.4° |
| H12 | C28 | H13 | 109.7° | 109.5° |
| H15 | C30 | H16 | 110.1° | 109.4° |
| H17 | C31 | H18 | 108.3° | 109.5° |
| H19 | C40 | H20 | 109.1° | 109.5° |
| H21 | C45 | H22 | 110.0° | 109.7° |
| H23 | C46 | H24 | 109.7° | 109.5° |
| H25 | C48 | H26 | 109.6° | 109.5° |
| H27 | C49 | H28 | 109.7° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O58 | C41 | N44 | C40 | 179.3° | 180.0° |
| O58 | C41 | N44 | C45 | 69.5° | 0.0° |
| O58 | C41 | N44 | C49 | 103.5° | 179.7° |
| O58 | C41 | C40 | N29 | 53.3° | 0.0° |
| O58 | C41 | C40 | H19 | 173.3° | 120.0° |
| O58 | C41 | C40 | H20 | 66.7° | 119.9° |
| C41 | N44 | C45 | C49 | 173.3° | 179.7° |
| C41 | N44 | C45 | C46 | 142.1° | 129.5° |
| N44 | C41 | C40 | N29 | 127.4° | 180.0° |
| C41 | N44 | C49 | C48 | 141.2° | 129.5° |
| N44 | C41 | C40 | H19 | 7.4° | 60.0° |
| N44 | C41 | C40 | H20 | 112.6° | 60.0° |
| C41 | N44 | C45 | H21 | 97.9° | 110.9° |
| C41 | N44 | C45 | H22 | 22.1° | 9.7° |
| C41 | N44 | C49 | H27 | 21.2° | 9.7° |
| C41 | N44 | C49 | H28 | 98.8° | 110.8° |
| C41 | C40 | N29 | C30 | 116.2° | 66.2° |
| C40 | C41 | N44 | C45 | 109.7° | 180.0° |
| C40 | C41 | N44 | C49 | 77.2° | 0.3° |
| C41 | C40 | N29 | H19 | 120.0° | 120.0° |
| C41 | C40 | N29 | H20 | 120.0° | 120.0° |
| C41 | C40 | N29 | C28 | 111.5° | 170.0° |
| C41 | C40 | H19 | H20 | 120.4° | 120.0° |
| C30 | C31 | N26 | H17 | 120.0° | 119.9° |
| C30 | C31 | N26 | H18 | 120.0° | 120.0° |
| C31 | C30 | N29 | H15 | 120.0° | 120.0° |
| C31 | C30 | N29 | H16 | 120.0° | 120.0° |
| C31 | C30 | N29 | C40 | 174.9° | 176.8° |
| C31 | C30 | N29 | C28 | 46.7° | 59.3° |
| C30 | C31 | N26 | C27 | 63.4° | 59.3° |
| C30 | C31 | N26 | C21 | 143.8° | 176.8° |
| C31 | C30 | H15 | H16 | 119.2° | 120.1° |
| C30 | C31 | H17 | H18 | 121.5° | 120.0° |
| N26 | C31 | C30 | N29 | 49.2° | 58.4° |
| C31 | N26 | C27 | C21 | 153.1° | 123.9° |
| C31 | N26 | C27 | C28 | 64.6° | 59.3° |
| C31 | N26 | C21 | C22 | 15.3° | 55.9° |
| C31 | N26 | C21 | C20 | 166.9° | 123.9° |
| C31 | N26 | C27 | H10 | 175.3° | 179.3° |
| C31 | N26 | C27 | H11 | 55.3° | 60.7° |
| N26 | C31 | C30 | H15 | 169.2° | 61.6° |
| N26 | C31 | C30 | H16 | 70.8° | 178.4° |
| N26 | C31 | H17 | H18 | 121.4° | 120.1° |
| C30 | N29 | C40 | C28 | 132.3° | 123.8° |
| C30 | N29 | C28 | C27 | 46.6° | 59.2° |
| C30 | N29 | C28 | H12 | 166.6° | 60.6° |
| C30 | N29 | C28 | H13 | 73.4° | 179.3° |
| N29 | C30 | H15 | H16 | 119.2° | 120.0° |
| N29 | C30 | C31 | H17 | 169.2° | 61.6° |
| N29 | C30 | C31 | H18 | 70.7° | 178.4° |
| C30 | N29 | C40 | H19 | 123.8° | 53.8° |
| C30 | N29 | C40 | H20 | 3.8° | 173.8° |
| N44 | C45 | C46 | H21 | 120.0° | 119.7° |
| N44 | C45 | C46 | H22 | 120.0° | 119.8° |
| C45 | N44 | C49 | C48 | 45.6° | 50.2° |
| N44 | C45 | C46 | O47 | 50.0° | 52.3° |
| N44 | C45 | H21 | H22 | 119.4° | 120.6° |
| N44 | C45 | C46 | H23 | 170.0° | 172.2° |
| N44 | C45 | C46 | H24 | 70.0° | 67.7° |
| C45 | N44 | C49 | H27 | 165.6° | 170.0° |
| C45 | N44 | C49 | H28 | 74.4° | 69.5° |
| C49 | N44 | C45 | C46 | 44.6° | 50.3° |
| N44 | C49 | C48 | H27 | 120.0° | 119.8° |
| N44 | C49 | C48 | H28 | 120.0° | 119.8° |
| N44 | C49 | C48 | O47 | 52.3° | 52.1° |
| C49 | N44 | C45 | H21 | 75.4° | 69.4° |
| C49 | N44 | C45 | H22 | 164.6° | 170.0° |
| N44 | C49 | C48 | H25 | 67.7° | 172.1° |
| N44 | C49 | C48 | H26 | 172.3° | 67.8° |
| N44 | C49 | H27 | H28 | 119.8° | 120.5° |
| C45 | C46 | O47 | H23 | 120.0° | 119.9° |
| C45 | C46 | O47 | H24 | 120.0° | 119.9° |
| C45 | C46 | O47 | C48 | 61.8° | 62.6° |
| C46 | C45 | H21 | H22 | 119.4° | 120.6° |
| C45 | C46 | H23 | H24 | 119.8° | 120.1° |
| C40 | N29 | C28 | C27 | 174.4° | 176.8° |
| C40 | N29 | C28 | H12 | 65.7° | 63.3° |
| C40 | N29 | C28 | H13 | 54.4° | 56.8° |
| C40 | N29 | C30 | H15 | 65.1° | 63.2° |
| C40 | N29 | C30 | H16 | 54.9° | 56.8° |
| N29 | C40 | H19 | H20 | 120.5° | 120.0° |
| N29 | C28 | C27 | N26 | 50.1° | 58.4° |
| N29 | C28 | C27 | H12 | 120.0° | 119.9° |
| N29 | C28 | C27 | H13 | 120.0° | 120.1° |
| N29 | C28 | C27 | H10 | 170.1° | 178.3° |
| N29 | C28 | C27 | H11 | 69.9° | 61.6° |
| N29 | C28 | H12 | H13 | 119.8° | 120.1° |
| C28 | N29 | C30 | H15 | 166.7° | 60.7° |
| C28 | N29 | C30 | H16 | 73.3° | 179.3° |
| C28 | N29 | C40 | H19 | 8.5° | 70.1° |
| C28 | N29 | C40 | H20 | 128.5° | 50.0° |
| C49 | C48 | O47 | C46 | 63.2° | 62.5° |
| C49 | C48 | O47 | H25 | 120.0° | 120.0° |
| C49 | C48 | O47 | H26 | 120.0° | 119.9° |
| C49 | C48 | H25 | H26 | 119.9° | 120.1° |
| C48 | C49 | H27 | H28 | 119.7° | 120.3° |
| N26 | C27 | C28 | H10 | 120.0° | 120.0° |
| N26 | C27 | C28 | H11 | 120.0° | 120.0° |
| C27 | N26 | C21 | C22 | 168.1° | 179.7° |
| C27 | N26 | C21 | C20 | 14.1° | 0.1° |
| N26 | C27 | H10 | H11 | 121.0° | 120.0° |
| N26 | C27 | C28 | H12 | 170.0° | 61.5° |
| N26 | C27 | C28 | H13 | 69.9° | 178.4° |
| C27 | N26 | C31 | H17 | 176.6° | 60.7° |
| C27 | N26 | C31 | H18 | 56.5° | 179.2° |
| C28 | C27 | N26 | C21 | 142.2° | 176.8° |
| C28 | C27 | H10 | H11 | 121.0° | 120.0° |
| C27 | C28 | H12 | H13 | 119.8° | 120.1° |
| N26 | C21 | C22 | C20 | 177.9° | 179.8° |
| N26 | C21 | C22 | C17 | 178.4° | 179.7° |
| N26 | C21 | C20 | C19 | 178.5° | 180.0° |
| N26 | C21 | C20 | H8 | 1.5° | 0.1° |
| N26 | C21 | C22 | H9 | 1.6° | 0.3° |
| C21 | N26 | C27 | H10 | 22.2° | 56.8° |
| C21 | N26 | C27 | H11 | 97.8° | 63.2° |
| C21 | N26 | C31 | H17 | 23.8° | 63.3° |
| C21 | N26 | C31 | H18 | 96.2° | 56.8° |
| C21 | C22 | C17 | H9 | 180.0° | 179.4° |
| C21 | C22 | C17 | N16 | 179.3° | 179.7° |
| C21 | C22 | C17 | N18 | 0.1° | 0.7° |
| C22 | C21 | C20 | C19 | 0.6° | 0.2° |
| C22 | C21 | C20 | H8 | 179.4° | 179.7° |
| C17 | C22 | C21 | C20 | 0.5° | 0.5° |
| C22 | C17 | N16 | N18 | 179.4° | 179.6° |
| C22 | C17 | N16 | C13 | 178.6° | 174.8° |
| C22 | C17 | N18 | C19 | 0.3° | 0.4° |
| C22 | C17 | N16 | H6 | 1.4° | 5.2° |
| C21 | C20 | C19 | H8 | 180.0° | 179.9° |
| C21 | C20 | C19 | N18 | 0.3° | 0.1° |
| C21 | C20 | C19 | H7 | 179.7° | 180.0° |
| C20 | C21 | C22 | H9 | 179.5° | 179.9° |
| C17 | N16 | C13 | H6 | 180.0° | 180.0° |
| C17 | N16 | C13 | N14 | 179.9° | 5.2° |
| C17 | N16 | C13 | S12 | 0.1° | 174.8° |
| N16 | C17 | N18 | C19 | 179.6° | 180.0° |
| N16 | C17 | C22 | H9 | 0.7° | 0.4° |
| N16 | C13 | N14 | S12 | 179.9° | 179.9° |
| N16 | C13 | N14 | C15 | 178.5° | 179.7° |
| C13 | N16 | C17 | N18 | 0.8° | 5.6° |
| N16 | C13 | S12 | C11 | 178.5° | 180.0° |
| O47 | C46 | C45 | H21 | 70.0° | 67.4° |
| O47 | C46 | C45 | H22 | 170.0° | 172.1° |
| O47 | C46 | H23 | H24 | 119.8° | 120.1° |
| C46 | O47 | C48 | H25 | 56.8° | 177.5° |
| C46 | O47 | C48 | H26 | 176.8° | 57.4° |
| C13 | N14 | C15 | C11 | 0.6° | 0.6° |
| N14 | C13 | S12 | C11 | 1.6° | 0.0° |
| C13 | N14 | C15 | H5 | 179.4° | 180.0° |
| N14 | C13 | N16 | H6 | 0.1° | 174.8° |
| C15 | N14 | C13 | S12 | 1.5° | 0.3° |
| N14 | C15 | C11 | H5 | 180.0° | 179.4° |
| N14 | C15 | C11 | S12 | 0.5° | 0.5° |
| N14 | C15 | C11 | C4 | 173.8° | 179.8° |
| C48 | O47 | C46 | H23 | 178.2° | 177.5° |
| C48 | O47 | C46 | H24 | 58.2° | 57.3° |
| O47 | C48 | H25 | H26 | 119.9° | 120.1° |
| O47 | C48 | C49 | H27 | 172.3° | 171.9° |
| O47 | C48 | C49 | H28 | 67.7° | 67.7° |
| C17 | N18 | C19 | C20 | 0.2° | 0.0° |
| N18 | C17 | N16 | H6 | 179.2° | 174.4° |
| C17 | N18 | C19 | H7 | 179.8° | 179.9° |
| N18 | C17 | C22 | H9 | 179.9° | 180.0° |
| C13 | S12 | C11 | C15 | 1.1° | 0.3° |
| C13 | S12 | C11 | C4 | 173.7° | 180.0° |
| S12 | C13 | N16 | H6 | 179.9° | 5.1° |
| C20 | C19 | N18 | H7 | 180.0° | 179.9° |
| C15 | C11 | S12 | C4 | 174.8° | 179.7° |
| C15 | C11 | C4 | C5 | 10.4° | 0.3° |
| C15 | C11 | C4 | C3 | 173.5° | 180.0° |
| N18 | C19 | C20 | H8 | 179.7° | 180.0° |
| S12 | C11 | C4 | C5 | 163.2° | 180.0° |
| S12 | C11 | C4 | C3 | 12.9° | 0.4° |
| S12 | C11 | C15 | H5 | 179.5° | 179.9° |
| C11 | C4 | C5 | C3 | 176.2° | 179.7° |
| C11 | C4 | C5 | N6 | 176.4° | 180.0° |
| C11 | C4 | C3 | C2 | 177.2° | 179.7° |
| C11 | C4 | C3 | H3 | 2.8° | 0.3° |
| C11 | C4 | C5 | H4 | 3.6° | 0.3° |
| C4 | C11 | C15 | H5 | 6.2° | 0.4° |
| C4 | C5 | N6 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C4 | C5 | N6 | C1 | 0.3° | 0.6° |
| C5 | C4 | C3 | H3 | 178.9° | 179.9° |
| C3 | C4 | C5 | N6 | 0.1° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.5° | 0.0° |
| C4 | C3 | C2 | H2 | 178.5° | 180.0° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C5 | N6 | C1 | C2 | 0.2° | 0.6° |
| C5 | N6 | C1 | H1 | 179.8° | 179.7° |
| C3 | C2 | C1 | N6 | 1.1° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 178.9° | 180.0° |
| N6 | C1 | C2 | H1 | 180.0° | 179.7° |
| N6 | C1 | C2 | H2 | 178.9° | 179.7° |
| C1 | N6 | C5 | H4 | 179.7° | 179.7° |
| C1 | C2 | C3 | H3 | 178.5° | 179.9° |
| H1 | C1 | C2 | H2 | 1.1° | 0.1° |
| H2 | C2 | C3 | H3 | 1.5° | 0.1° |
| H7 | C19 | C20 | H8 | 0.3° | 0.1° |
| H10 | C27 | C28 | H12 | 69.9° | 58.5° |
| H10 | C27 | C28 | H13 | 50.1° | 61.6° |
| H11 | C27 | C28 | H12 | 50.1° | 178.5° |
| H11 | C27 | C28 | H13 | 170.1° | 58.4° |
| H15 | C30 | C31 | H17 | 70.8° | 178.4° |
| H15 | C30 | C31 | H18 | 49.2° | 58.4° |
| H16 | C30 | C31 | H17 | 49.2° | 58.4° |
| H16 | C30 | C31 | H18 | 169.2° | 61.6° |
| H21 | C45 | C46 | H23 | 50.0° | 52.6° |
| H21 | C45 | C46 | H24 | 170.0° | 172.7° |
| H22 | C45 | C46 | H23 | 70.0° | 68.0° |
| H22 | C45 | C46 | H24 | 50.0° | 52.1° |
| H25 | C48 | C49 | H27 | 52.3° | 68.2° |
| H25 | C48 | C49 | H28 | 172.3° | 52.3° |
| H26 | C48 | C49 | H27 | 67.7° | 52.0° |
| H26 | C48 | C49 | H28 | 52.3° | 172.4° |
