B39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.54Å | 1.56Å | |
| C4 | N7 | sing | 1.46Å | 1.49Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C2 | sing | 1.54Å | 1.53Å | |
| C8 | O27 | sing | 1.43Å | 1.42Å | |
| C10 | C12 | sing | 1.46Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.34Å | 1.33Å | Aromatic |
| C13 | N14 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | N7 | sing | 1.37Å | 1.33Å | Aromatic |
| C15 | N16 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | N14 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | N18 | sing | 1.38Å | 1.35Å | |
| C17 | N16 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.54Å | 1.53Å | |
| C20 | C1 | sing | 1.54Å | 1.53Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C1 | sing | 1.51Å | 1.53Å | |
| C22 | C19 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N18 | sing | 1.47Å | 1.48Å | |
| C11 | N7 | sing | 1.37Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C2 | O9 | sing | 1.43Å | 1.42Å | |
| O27 | S28 | sing | 1.52Å | 1.43Å | |
| S28 | O29 | doub | 1.42Å | 1.49Å | |
| S28 | O30 | doub | 1.42Å | 1.49Å | |
| S28 | N31 | sing | 1.66Å | 1.63Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| N31 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N7 | 113.0° | 110.5° |
| C5 | C4 | C3 | 106.3° | 104.2° |
| C4 | C5 | C6 | 106.1° | 106.6° |
| C5 | C4 | H4 | 109.0° | 110.4° |
| C4 | C5 | H5 | 110.6° | 110.0° |
| C4 | C5 | H5A | 111.3° | 110.1° |
| N7 | C4 | C3 | 108.6° | 110.5° |
| C4 | N7 | C13 | 125.9° | 125.0° |
| C4 | N7 | C11 | 124.8° | 125.0° |
| N7 | C4 | H4 | 106.7° | 110.4° |
| C4 | C3 | C2 | 105.6° | 102.8° |
| C3 | C4 | H4 | 113.4° | 110.6° |
| C4 | C3 | H3 | 110.8° | 110.8° |
| C4 | C3 | H3A | 111.6° | 110.7° |
| C5 | C6 | C8 | 110.5° | 110.0° |
| C5 | C6 | C2 | 104.6° | 106.6° |
| C6 | C5 | H5 | 110.6° | 110.0° |
| C6 | C5 | H5A | 111.3° | 110.1° |
| C5 | C6 | H6 | 112.4° | 110.1° |
| C8 | C6 | C2 | 110.5° | 110.0° |
| C6 | C8 | O27 | 111.5° | 109.5° |
| C8 | C6 | H6 | 106.6° | 110.0° |
| C6 | C8 | H8 | 108.8° | 109.5° |
| C6 | C8 | H8A | 108.4° | 109.5° |
| C6 | C2 | C3 | 104.7° | 104.2° |
| C6 | C2 | O9 | 109.8° | 110.5° |
| C2 | C6 | H6 | 112.3° | 110.1° |
| C6 | C2 | H2 | 112.1° | 110.5° |
| C8 | O27 | S28 | 123.8° | 114.0° |
| O27 | C8 | H8 | 108.8° | 109.5° |
| O27 | C8 | H8A | 108.3° | 109.4° |
| C12 | C10 | C11 | 109.5° | 106.8° |
| C10 | C12 | C13 | 106.5° | 106.2° |
| C10 | C12 | C17 | 134.5° | 135.2° |
| C12 | C10 | H10 | 125.2° | 126.5° |
| C10 | C11 | N7 | 107.8° | 109.8° |
| C11 | C10 | H10 | 125.3° | 126.7° |
| C10 | C11 | H11 | 126.1° | 125.1° |
| N14 | C13 | C12 | 118.8° | 118.5° |
| N14 | C13 | N7 | 134.4° | 134.3° |
| C13 | N14 | C15 | 121.0° | 120.7° |
| C12 | C13 | N7 | 106.8° | 107.1° |
| C13 | C12 | C17 | 118.9° | 118.7° |
| C13 | N7 | C11 | 109.3° | 110.0° |
| N16 | C15 | N14 | 121.7° | 122.7° |
| C15 | N16 | C17 | 120.8° | 121.0° |
| N16 | C15 | H15 | 119.1° | 118.6° |
| N14 | C15 | H15 | 119.2° | 118.7° |
| N18 | C17 | N16 | 117.2° | 120.9° |
| N18 | C17 | C12 | 124.0° | 120.8° |
| C17 | N18 | C1 | 125.6° | 120.0° |
| C17 | N18 | HN18 | 104.4° | 120.0° |
| N16 | C17 | C12 | 118.8° | 118.3° |
| C19 | C20 | C1 | 101.8° | 102.4° |
| C20 | C19 | C22 | 102.3° | 105.2° |
| C19 | C20 | H20 | 112.1° | 110.8° |
| C19 | C20 | H20A | 113.7° | 110.9° |
| C20 | C19 | H19 | 112.0° | 110.3° |
| C20 | C19 | H19A | 113.5° | 110.4° |
| C20 | C1 | C21 | 102.3° | 105.1° |
| C20 | C1 | N18 | 112.4° | 110.4° |
| C1 | C20 | H20 | 112.1° | 110.8° |
| C1 | C20 | H20A | 113.7° | 110.9° |
| C20 | C1 | H1 | 112.8° | 110.3° |
| C22 | C21 | C26 | 120.2° | 119.9° |
| C22 | C21 | C1 | 108.0° | 109.7° |
| C21 | C22 | C19 | 108.7° | 109.8° |
| C21 | C22 | C23 | 120.1° | 119.8° |
| C26 | C21 | C1 | 131.8° | 130.4° |
| C21 | C26 | C25 | 119.6° | 120.2° |
| C21 | C26 | H26 | 120.2° | 119.9° |
| C21 | C1 | N18 | 111.0° | 110.3° |
| C21 | C1 | H1 | 114.2° | 110.3° |
| C19 | C22 | C23 | 131.3° | 130.4° |
| C22 | C19 | H19 | 111.9° | 110.3° |
| C22 | C19 | H19A | 113.4° | 110.3° |
| C22 | C23 | C24 | 119.5° | 120.2° |
| C22 | C23 | H23 | 120.3° | 119.9° |
| C23 | C24 | C25 | 120.5° | 119.9° |
| C23 | C24 | H24 | 119.7° | 120.1° |
| C24 | C23 | H23 | 120.2° | 119.9° |
| C24 | C25 | C26 | 120.1° | 119.9° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | H26 | 120.2° | 119.9° |
| C26 | C25 | H25 | 119.9° | 120.1° |
| N18 | C1 | H1 | 104.4° | 110.3° |
| C1 | N18 | HN18 | 104.4° | 120.0° |
| N7 | C11 | H11 | 126.1° | 125.1° |
| C3 | C2 | O9 | 108.6° | 110.5° |
| C2 | C3 | H3 | 110.8° | 110.7° |
| C2 | C3 | H3A | 111.6° | 110.8° |
| C3 | C2 | H2 | 113.2° | 110.5° |
| O9 | C2 | H2 | 108.4° | 110.5° |
| C2 | O9 | HO9 | 109.5° | 114.0° |
| O27 | S28 | O29 | 111.6° | 106.4° |
| O27 | S28 | O30 | 109.9° | 106.4° |
| O27 | S28 | N31 | 109.0° | 107.3° |
| O29 | S28 | O30 | 107.6° | 123.1° |
| O29 | S28 | N31 | 109.9° | 106.4° |
| O30 | S28 | N31 | 108.8° | 106.4° |
| S28 | N31 | HN31 | 109.5° | 120.0° |
| S28 | N31 | HN3A | 109.4° | 120.1° |
| H5 | C5 | H5A | 106.9° | 110.1° |
| H8 | C8 | H8A | 111.0° | 109.4° |
| H20 | C20 | H20A | 103.7° | 110.8° |
| H19 | C19 | H19A | 104.1° | 110.3° |
| H3 | C3 | H3A | 106.5° | 110.8° |
| HN31 | N31 | HN3A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N7 | C3 | 117.7° | 114.8° |
| C5 | C4 | N7 | H4 | 119.8° | 122.5° |
| C5 | C4 | C3 | H4 | 119.7° | 118.6° |
| C4 | C5 | C6 | H5 | 120.0° | 119.2° |
| C4 | C5 | C6 | H5A | 121.3° | 119.4° |
| C4 | C5 | C6 | C8 | 143.7° | 119.4° |
| C4 | C5 | C6 | C2 | 24.8° | 0.1° |
| C5 | C4 | N7 | C13 | 138.0° | 119.9° |
| C5 | C4 | N7 | C11 | 43.5° | 60.0° |
| C5 | C4 | C3 | C2 | 17.3° | 37.9° |
| C4 | C5 | H5 | H5A | 121.4° | 121.5° |
| C4 | C5 | C6 | H6 | 97.3° | 119.3° |
| C5 | C4 | C3 | H3 | 137.3° | 156.2° |
| C5 | C4 | C3 | H3A | 104.2° | 80.5° |
| N7 | C4 | C3 | H4 | 118.4° | 122.6° |
| N7 | C4 | C5 | C6 | 114.4° | 142.3° |
| C4 | N7 | C11 | C10 | 179.1° | 180.0° |
| C4 | N7 | C13 | N14 | 1.2° | 0.0° |
| C4 | N7 | C13 | C12 | 179.1° | 179.9° |
| C4 | N7 | C13 | C11 | 178.7° | 180.0° |
| N7 | C4 | C3 | C2 | 139.2° | 156.7° |
| N7 | C4 | C5 | H5 | 5.6° | 23.1° |
| N7 | C4 | C5 | H5A | 124.4° | 98.4° |
| C4 | N7 | C11 | H11 | 0.9° | 0.1° |
| N7 | C4 | C3 | H3 | 100.8° | 85.0° |
| N7 | C4 | C3 | H3A | 17.7° | 38.3° |
| C3 | C4 | C5 | C6 | 4.7° | 23.5° |
| C4 | C3 | C2 | C6 | 32.9° | 37.9° |
| C3 | C4 | N7 | C13 | 104.3° | 125.2° |
| C3 | C4 | N7 | C11 | 74.2° | 54.8° |
| C4 | C3 | C2 | H3 | 120.0° | 118.3° |
| C4 | C3 | C2 | H3A | 121.5° | 118.3° |
| C4 | C3 | C2 | O9 | 84.3° | 80.8° |
| C3 | C4 | C5 | H5 | 124.7° | 95.7° |
| C3 | C4 | C5 | H5A | 116.6° | 142.9° |
| C4 | C3 | H3 | H3A | 121.5° | 123.3° |
| C4 | C3 | C2 | H2 | 155.3° | 156.6° |
| C5 | C6 | C8 | C2 | 115.3° | 117.2° |
| C5 | C6 | C8 | H6 | 122.4° | 121.4° |
| C5 | C6 | C2 | H6 | 122.1° | 119.4° |
| C5 | C6 | C8 | O27 | 125.5° | 175.0° |
| C5 | C6 | C2 | C3 | 35.7° | 23.7° |
| C5 | C6 | C2 | O9 | 80.6° | 95.1° |
| C6 | C5 | C4 | H4 | 127.2° | 95.2° |
| C6 | C5 | H5 | H5A | 121.3° | 121.4° |
| C5 | C6 | C8 | H8 | 5.4° | 55.0° |
| C5 | C6 | C8 | H8A | 115.4° | 65.0° |
| C5 | C6 | C2 | H2 | 158.8° | 142.3° |
| C8 | C6 | C2 | H6 | 118.9° | 121.4° |
| C6 | C8 | O27 | H8 | 120.0° | 120.1° |
| C6 | C8 | O27 | H8A | 119.2° | 120.0° |
| C8 | C6 | C2 | C3 | 154.7° | 142.9° |
| C8 | C6 | C2 | O9 | 38.3° | 24.2° |
| C6 | C8 | O27 | S28 | 133.5° | 180.0° |
| C8 | C6 | C5 | H5 | 96.3° | 121.4° |
| C8 | C6 | C5 | H5A | 22.4° | 0.0° |
| C6 | C8 | H8 | H8A | 119.2° | 120.0° |
| C8 | C6 | C2 | H2 | 82.2° | 98.4° |
| C2 | C6 | C8 | O27 | 119.3° | 67.8° |
| C6 | C2 | C3 | O9 | 117.2° | 118.7° |
| C6 | C2 | C3 | H2 | 122.3° | 118.6° |
| C6 | C2 | O9 | H2 | 122.7° | 122.6° |
| C2 | C6 | C5 | H5 | 144.8° | 119.3° |
| C2 | C6 | C5 | H5A | 96.5° | 119.3° |
| C2 | C6 | C8 | H8 | 120.7° | 172.1° |
| C2 | C6 | C8 | H8A | 0.1° | 52.2° |
| C6 | C2 | C3 | H3 | 152.9° | 156.3° |
| C6 | C2 | C3 | H3A | 88.5° | 80.4° |
| C6 | C2 | O9 | HO9 | 110.1° | 180.0° |
| C8 | O27 | S28 | O29 | 44.3° | 171.4° |
| C8 | O27 | S28 | O30 | 75.0° | 38.5° |
| C8 | O27 | S28 | N31 | 165.9° | 75.0° |
| O27 | C8 | C6 | H6 | 3.1° | 53.6° |
| O27 | C8 | H8 | H8A | 119.2° | 119.9° |
| C12 | C10 | C11 | H10 | 180.0° | 179.8° |
| C10 | C12 | C13 | N14 | 179.9° | 180.0° |
| C10 | C12 | C13 | C17 | 179.7° | 180.0° |
| C10 | C12 | C13 | N7 | 0.3° | 0.0° |
| C10 | C12 | C17 | N18 | 0.4° | 0.0° |
| C10 | C12 | C17 | N16 | 179.6° | 180.0° |
| C12 | C10 | C11 | N7 | 0.2° | 0.0° |
| C12 | C10 | C11 | H11 | 179.8° | 180.0° |
| C11 | C10 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | N7 | C13 | 0.4° | 0.0° |
| C11 | C10 | C12 | C17 | 179.6° | 180.0° |
| C10 | C11 | N7 | H11 | 180.0° | 180.0° |
| N14 | C13 | C12 | N7 | 179.8° | 180.0° |
| C13 | N14 | C15 | N16 | 0.0° | 0.0° |
| N14 | C13 | C12 | C17 | 0.4° | 0.0° |
| N14 | C13 | N7 | C11 | 179.8° | 180.0° |
| C13 | N14 | C15 | H15 | 180.0° | 180.0° |
| C12 | C13 | N14 | C15 | 0.4° | 0.0° |
| C13 | C12 | C17 | N18 | 179.9° | 179.9° |
| C13 | C12 | C17 | N16 | 0.0° | 0.0° |
| C12 | C13 | N7 | C11 | 0.4° | 0.0° |
| C13 | C12 | C10 | H10 | 179.9° | 179.7° |
| N7 | C13 | N14 | C15 | 179.3° | 180.0° |
| N7 | C13 | C12 | C17 | 179.4° | 180.0° |
| C13 | N7 | C4 | H4 | 18.2° | 2.5° |
| C13 | N7 | C11 | H11 | 179.6° | 180.0° |
| N16 | C15 | N14 | H15 | 180.0° | 180.0° |
| C15 | N16 | C17 | N18 | 179.5° | 179.9° |
| C15 | N16 | C17 | C12 | 0.4° | 0.0° |
| N14 | C15 | N16 | C17 | 0.4° | 0.0° |
| N18 | C17 | N16 | C12 | 180.0° | 180.0° |
| C17 | N18 | C1 | C20 | 84.6° | 155.0° |
| C17 | N18 | C1 | C21 | 161.5° | 89.3° |
| C17 | N18 | C1 | HN18 | 120.0° | 179.9° |
| C17 | N18 | C1 | H1 | 38.0° | 32.8° |
| N16 | C17 | N18 | C1 | 172.9° | 0.0° |
| C17 | N16 | C15 | H15 | 179.6° | 180.0° |
| N16 | C17 | N18 | HN18 | 52.9° | 180.0° |
| C12 | C17 | N18 | C1 | 7.1° | 180.0° |
| C17 | C12 | C10 | H10 | 0.4° | 0.2° |
| C12 | C17 | N18 | HN18 | 127.1° | 0.1° |
| C19 | C20 | C1 | H20 | 120.0° | 118.2° |
| C19 | C20 | C1 | H20A | 122.7° | 118.3° |
| C20 | C19 | C22 | C21 | 24.1° | 17.2° |
| C19 | C20 | C1 | C21 | 39.1° | 26.4° |
| C20 | C19 | C22 | H19 | 120.0° | 118.9° |
| C20 | C19 | C22 | H19A | 122.6° | 119.0° |
| C20 | C19 | C22 | C23 | 155.6° | 162.8° |
| C19 | C20 | C1 | N18 | 158.2° | 92.5° |
| C19 | C20 | H20 | H20A | 123.1° | 123.5° |
| C20 | C19 | H19 | H19A | 123.0° | 122.2° |
| C19 | C20 | C1 | H1 | 84.0° | 145.3° |
| C20 | C1 | C21 | C22 | 25.2° | 17.2° |
| C20 | C1 | C21 | C26 | 155.5° | 162.8° |
| C20 | C1 | C21 | N18 | 120.1° | 119.0° |
| C20 | C1 | C21 | H1 | 122.2° | 118.9° |
| C1 | C20 | C19 | C22 | 38.7° | 26.4° |
| C20 | C1 | N18 | H1 | 122.6° | 122.2° |
| C1 | C20 | H20 | H20A | 123.1° | 123.5° |
| C1 | C20 | C19 | H19 | 81.3° | 145.3° |
| C1 | C20 | C19 | H19A | 161.2° | 92.5° |
| C20 | C1 | N18 | HN18 | 35.3° | 24.9° |
| C22 | C21 | C26 | C1 | 179.2° | 180.0° |
| C21 | C22 | C19 | C23 | 179.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C26 | C25 | 0.2° | 0.0° |
| C22 | C21 | C1 | N18 | 145.3° | 101.7° |
| C22 | C21 | C26 | H26 | 179.8° | 180.0° |
| C21 | C22 | C19 | H19 | 95.9° | 136.1° |
| C21 | C22 | C19 | H19A | 146.7° | 101.8° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C21 | C1 | H1 | 97.0° | 136.1° |
| C26 | C21 | C22 | C19 | 179.9° | 180.0° |
| C26 | C21 | C22 | C23 | 0.2° | 0.0° |
| C21 | C26 | C25 | C24 | 0.1° | 0.1° |
| C21 | C26 | C25 | H26 | 180.0° | 179.9° |
| C26 | C21 | C1 | N18 | 35.4° | 78.2° |
| C21 | C26 | C25 | H25 | 179.9° | 179.9° |
| C26 | C21 | C1 | H1 | 82.2° | 43.9° |
| C1 | C21 | C22 | C19 | 0.7° | 0.0° |
| C1 | C21 | C22 | C23 | 179.5° | 180.0° |
| C1 | C21 | C26 | C25 | 179.4° | 179.9° |
| C21 | C1 | N18 | H1 | 123.5° | 122.1° |
| C21 | C1 | C20 | H20 | 80.9° | 144.6° |
| C21 | C1 | C20 | H20A | 161.9° | 91.9° |
| C1 | C21 | C26 | H26 | 0.7° | 0.0° |
| C21 | C1 | N18 | HN18 | 78.5° | 90.8° |
| C19 | C22 | C23 | C24 | 179.8° | 180.0° |
| C22 | C19 | C20 | H20 | 81.4° | 144.6° |
| C22 | C19 | C20 | H20A | 161.4° | 91.9° |
| C22 | C19 | H19 | H19A | 122.9° | 122.1° |
| C19 | C22 | C23 | H23 | 0.2° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C22 | C19 | H19 | 84.4° | 43.9° |
| C23 | C22 | C19 | H19A | 33.0° | 78.2° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.2° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.9° | 179.9° |
| C25 | C24 | C23 | H23 | 179.9° | 179.9° |
| C26 | C25 | C24 | H24 | 179.9° | 179.9° |
| N18 | C1 | C20 | H20 | 38.2° | 25.7° |
| N18 | C1 | C20 | H20A | 79.0° | 149.2° |
| C11 | N7 | C4 | H4 | 163.3° | 177.5° |
| N7 | C11 | C10 | H10 | 179.8° | 179.7° |
| C3 | C2 | O9 | H2 | 123.4° | 122.6° |
| C2 | C3 | C4 | H4 | 102.4° | 80.7° |
| C3 | C2 | C6 | H6 | 86.4° | 95.7° |
| C2 | C3 | H3 | H3A | 121.6° | 123.4° |
| C3 | C2 | O9 | HO9 | 136.0° | 65.1° |
| O9 | C2 | C6 | H6 | 157.2° | 145.6° |
| O9 | C2 | C3 | H3 | 35.7° | 37.6° |
| O9 | C2 | C3 | H3A | 154.2° | 160.9° |
| O27 | S28 | O29 | O30 | 120.6° | 123.0° |
| O27 | S28 | O29 | N31 | 121.0° | 114.2° |
| O27 | S28 | O30 | N31 | 119.2° | 114.2° |
| S28 | O27 | C8 | H8 | 106.4° | 60.0° |
| S28 | O27 | C8 | H8A | 14.4° | 60.0° |
| O27 | S28 | N31 | HN31 | 109.2° | 0.0° |
| O27 | S28 | N31 | HN3A | 130.8° | 180.0° |
| O29 | S28 | O30 | N31 | 119.0° | 122.9° |
| O29 | S28 | N31 | HN31 | 13.4° | 113.6° |
| O29 | S28 | N31 | HN3A | 106.6° | 66.4° |
| O30 | S28 | N31 | HN31 | 131.0° | 113.6° |
| O30 | S28 | N31 | HN3A | 11.0° | 66.4° |
| S28 | N31 | HN31 | HN3A | 120.0° | 180.0° |
| H4 | C4 | C5 | H5 | 112.8° | 145.6° |
| H4 | C4 | C5 | H5A | 5.9° | 24.1° |
| H4 | C4 | C3 | H3 | 17.6° | 37.6° |
| H4 | C4 | C3 | H3A | 136.1° | 160.9° |
| H5 | C5 | C6 | H6 | 22.7° | 0.0° |
| H5A | C5 | C6 | H6 | 141.4° | 121.4° |
| H6 | C6 | C8 | H8 | 117.0° | 66.5° |
| H6 | C6 | C8 | H8A | 122.2° | 173.6° |
| H6 | C6 | C2 | H2 | 36.7° | 22.9° |
| H10 | C10 | C11 | H11 | 0.2° | 0.2° |
| H20 | C20 | C19 | H19 | 158.7° | 96.6° |
| H20 | C20 | C19 | H19A | 41.2° | 25.6° |
| H20 | C20 | C1 | H1 | 156.0° | 96.5° |
| H20A | C20 | C19 | H19 | 41.4° | 27.0° |
| H20A | C20 | C19 | H19A | 76.1° | 149.1° |
| H20A | C20 | C1 | H1 | 38.7° | 27.0° |
| H24 | C24 | C23 | H23 | 0.0° | 0.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.1° |
| H26 | C26 | C25 | H25 | 0.1° | 0.1° |
| H1 | C1 | N18 | HN18 | 158.0° | 147.1° |
| H3 | C3 | C2 | H2 | 84.7° | 85.1° |
| H3A | C3 | C2 | H2 | 33.8° | 38.3° |
| H2 | C2 | O9 | HO9 | 12.6° | 57.5° |
