H59
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C31 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C33 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | F32 | sing | 1.35Å | 1.37Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | |
| C7 | C11 | sing | 1.46Å | 1.45Å | |
| C7 | C18 | sing | 1.48Å | 1.49Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | O29 | sing | 1.35Å | 1.35Å | |
| C9 | N10 | sing | 1.47Å | 1.48Å | |
| C9 | C34 | sing | 1.53Å | 1.57Å | |
| N10 | C11 | sing | 1.34Å | 1.35Å | |
| N10 | C31 | sing | 1.46Å | 1.45Å | |
| C11 | O30 | doub | 1.22Å | 1.21Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | S20 | sing | 1.77Å | 1.77Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N19 | sing | 1.39Å | 1.41Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N24 | sing | 1.40Å | 1.42Å | |
| C18 | N19 | sing | 1.38Å | 1.41Å | |
| C18 | C21 | doub | 1.33Å | 1.35Å | |
| S20 | C21 | sing | 1.77Å | 1.78Å | |
| S20 | O22 | doub | 1.42Å | 1.41Å | |
| S20 | O23 | doub | 1.42Å | 1.44Å | |
| N24 | S25 | sing | 1.66Å | 1.65Å | |
| S25 | C26 | sing | 1.81Å | 1.81Å | |
| S25 | O27 | doub | 1.42Å | 1.42Å | |
| S25 | O28 | doub | 1.42Å | 1.43Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | C37 | sing | 1.53Å | 1.54Å | |
| C34 | C38 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.5° | 120.0° |
| C2 | C1 | C31 | 118.4° | 120.0° |
| C1 | C2 | C3 | 121.5° | 120.0° |
| C1 | C2 | H2 | 119.2° | 120.0° |
| C6 | C1 | C31 | 123.1° | 120.0° |
| C1 | C6 | C5 | 120.5° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.0° |
| C1 | C31 | N10 | 104.5° | 109.5° |
| C1 | C31 | H31 | 111.2° | 109.4° |
| C1 | C31 | H31A | 112.2° | 109.4° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | C33 | 118.8° | 120.0° |
| C3 | C2 | H2 | 119.2° | 120.0° |
| C4 | C3 | C33 | 121.1° | 120.0° |
| C3 | C4 | C5 | 119.2° | 119.9° |
| C3 | C4 | F32 | 119.6° | 120.1° |
| C3 | C33 | H33 | 109.5° | 109.5° |
| C3 | C33 | H33A | 109.5° | 109.5° |
| C3 | C33 | H33B | 109.4° | 109.4° |
| C5 | C4 | F32 | 121.3° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C8 | C7 | C11 | 108.6° | 109.3° |
| C8 | C7 | C18 | 129.4° | 125.4° |
| C7 | C8 | C9 | 106.8° | 106.6° |
| C7 | C8 | O29 | 128.6° | 126.7° |
| C11 | C7 | C18 | 121.8° | 125.3° |
| C7 | C11 | N10 | 111.1° | 110.3° |
| C7 | C11 | O30 | 124.0° | 124.9° |
| C7 | C18 | N19 | 118.5° | 117.9° |
| C7 | C18 | C21 | 117.2° | 117.9° |
| C9 | C8 | O29 | 124.6° | 126.7° |
| C8 | C9 | N10 | 104.7° | 106.0° |
| C8 | C9 | C34 | 109.0° | 110.1° |
| C8 | C9 | H9 | 114.9° | 110.2° |
| C8 | O29 | HO29 | 109.5° | 117.0° |
| N10 | C9 | C34 | 115.0° | 110.1° |
| C9 | N10 | C11 | 108.5° | 107.9° |
| C9 | N10 | C31 | 128.7° | 126.1° |
| N10 | C9 | H9 | 108.9° | 110.2° |
| C9 | C34 | C35 | 105.8° | 109.5° |
| C9 | C34 | C37 | 111.0° | 109.5° |
| C9 | C34 | C38 | 113.8° | 109.5° |
| C34 | C9 | H9 | 104.6° | 110.2° |
| C11 | N10 | C31 | 122.7° | 126.1° |
| N10 | C11 | O30 | 124.7° | 124.9° |
| N10 | C31 | H31 | 111.2° | 109.5° |
| N10 | C31 | H31A | 112.3° | 109.5° |
| C13 | C12 | C17 | 121.2° | 120.8° |
| C13 | C12 | S20 | 120.3° | 119.0° |
| C12 | C13 | C14 | 118.7° | 119.2° |
| C12 | C13 | N19 | 121.6° | 121.4° |
| C17 | C12 | S20 | 118.4° | 120.3° |
| C12 | C17 | C16 | 119.9° | 119.9° |
| C12 | C17 | H17 | 120.1° | 120.1° |
| C12 | S20 | C21 | 104.3° | 105.5° |
| C12 | S20 | O22 | 111.0° | 106.7° |
| C12 | S20 | O23 | 107.3° | 106.7° |
| C14 | C13 | N19 | 119.8° | 119.4° |
| C13 | C14 | C15 | 119.9° | 120.2° |
| C13 | C14 | H14 | 120.1° | 119.9° |
| C13 | N19 | C18 | 124.4° | 126.0° |
| C13 | N19 | HN19 | 117.8° | 117.0° |
| C14 | C15 | C16 | 121.2° | 120.3° |
| C15 | C14 | H14 | 120.1° | 119.9° |
| C14 | C15 | H15 | 119.4° | 119.9° |
| C15 | C16 | C17 | 119.1° | 119.7° |
| C15 | C16 | N24 | 119.0° | 120.1° |
| C16 | C15 | H15 | 119.4° | 119.8° |
| C17 | C16 | N24 | 121.8° | 120.2° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| C16 | N24 | S25 | 126.9° | 120.0° |
| C16 | N24 | HN24 | 104.0° | 120.0° |
| N19 | C18 | C21 | 124.2° | 124.2° |
| C18 | N19 | HN19 | 117.8° | 117.0° |
| C18 | C21 | S20 | 119.9° | 119.0° |
| C18 | C21 | H21 | 120.0° | 120.5° |
| C21 | S20 | O22 | 105.4° | 106.7° |
| C21 | S20 | O23 | 109.2° | 106.7° |
| S20 | C21 | H21 | 120.0° | 120.5° |
| O22 | S20 | O23 | 118.8° | 123.4° |
| N24 | S25 | C26 | 98.4° | 104.5° |
| N24 | S25 | O27 | 106.8° | 104.3° |
| N24 | S25 | O28 | 113.1° | 104.3° |
| S25 | N24 | HN24 | 104.0° | 120.0° |
| C26 | S25 | O27 | 109.5° | 110.5° |
| C26 | S25 | O28 | 109.3° | 110.5° |
| S25 | C26 | H26 | 109.5° | 109.5° |
| S25 | C26 | H26A | 109.5° | 109.5° |
| S25 | C26 | H26B | 109.5° | 109.5° |
| O27 | S25 | O28 | 118.0° | 121.1° |
| C35 | C34 | C37 | 111.5° | 109.5° |
| C35 | C34 | C38 | 106.0° | 109.5° |
| C34 | C35 | C36 | 114.5° | 109.5° |
| C34 | C35 | H35 | 107.8° | 109.5° |
| C34 | C35 | H35A | 106.7° | 109.5° |
| C37 | C34 | C38 | 108.6° | 109.5° |
| C34 | C37 | H37 | 109.5° | 109.5° |
| C34 | C37 | H37A | 109.5° | 109.5° |
| C34 | C37 | H37B | 109.5° | 109.5° |
| C34 | C38 | H38 | 109.5° | 109.5° |
| C34 | C38 | H38A | 109.5° | 109.5° |
| C34 | C38 | H38B | 109.4° | 109.5° |
| C36 | C35 | H35 | 107.8° | 109.5° |
| C36 | C35 | H35A | 106.7° | 109.5° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C35 | C36 | H36A | 109.5° | 109.5° |
| C35 | C36 | H36B | 109.4° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H31 | C31 | H31A | 105.7° | 109.5° |
| H33 | C33 | H33A | 109.4° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H35 | C35 | H35A | 113.5° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.4° |
| H36 | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.4° |
| H38 | C38 | H38A | 109.4° | 109.5° |
| H38 | C38 | H38B | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C31 | 178.7° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.7° | 0.0° |
| C1 | C2 | C3 | C33 | 178.7° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.1° |
| C2 | C1 | C31 | N10 | 131.4° | 90.0° |
| C2 | C1 | C6 | H6 | 178.8° | 179.9° |
| C2 | C1 | C31 | H31 | 11.4° | 150.0° |
| C2 | C1 | C31 | H31A | 106.7° | 30.0° |
| C6 | C1 | C2 | C3 | 2.1° | 0.1° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C31 | N10 | 47.2° | 90.3° |
| C6 | C1 | C2 | H2 | 177.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | C31 | H31 | 167.3° | 29.7° |
| C6 | C1 | C31 | H31A | 74.6° | 149.7° |
| C31 | C1 | C2 | C3 | 179.1° | 179.8° |
| C31 | C1 | C6 | C5 | 179.9° | 179.8° |
| C1 | C31 | N10 | C9 | 78.1° | 96.5° |
| C1 | C31 | N10 | C11 | 97.8° | 83.4° |
| C1 | C31 | N10 | H31 | 120.0° | 120.0° |
| C1 | C31 | N10 | H31A | 121.9° | 120.0° |
| C31 | C1 | C2 | H2 | 0.8° | 0.3° |
| C31 | C1 | C6 | H6 | 0.1° | 0.4° |
| C1 | C31 | H31 | H31A | 122.0° | 120.0° |
| C2 | C3 | C4 | C33 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | F32 | 179.4° | 180.0° |
| C2 | C3 | C33 | H33 | 160.2° | 89.9° |
| C2 | C3 | C33 | H33A | 40.3° | 150.0° |
| C2 | C3 | C33 | H33B | 79.8° | 30.0° |
| C3 | C4 | C5 | F32 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | C3 | C2 | H2 | 178.3° | 180.0° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C4 | C3 | C33 | H33 | 20.2° | 90.0° |
| C4 | C3 | C33 | H33A | 140.2° | 30.0° |
| C4 | C3 | C33 | H33B | 99.8° | 150.0° |
| C33 | C3 | C4 | C5 | 180.0° | 180.0° |
| C33 | C3 | C4 | F32 | 0.1° | 0.0° |
| C33 | C3 | C2 | H2 | 1.3° | 0.1° |
| C3 | C33 | H33 | H33A | 120.0° | 120.0° |
| C3 | C33 | H33 | H33B | 120.0° | 120.0° |
| C3 | C33 | H33A | H33B | 120.0° | 119.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| F32 | C4 | C5 | C6 | 179.7° | 180.0° |
| F32 | C4 | C5 | H5 | 0.3° | 0.0° |
| C8 | C7 | C11 | C18 | 175.6° | 179.7° |
| C7 | C8 | C9 | O29 | 178.3° | 180.0° |
| C7 | C8 | C9 | N10 | 5.0° | 0.0° |
| C7 | C8 | C9 | C34 | 118.5° | 119.1° |
| C8 | C7 | C11 | N10 | 1.5° | 0.0° |
| C8 | C7 | C11 | O30 | 174.0° | 180.0° |
| C8 | C7 | C18 | N19 | 157.6° | 120.8° |
| C8 | C7 | C18 | C21 | 23.1° | 59.2° |
| C7 | C8 | C9 | H9 | 124.4° | 119.2° |
| C7 | C8 | O29 | HO29 | 2.2° | 5.2° |
| C11 | C7 | C8 | C9 | 4.1° | 0.0° |
| C11 | C7 | C8 | O29 | 177.7° | 180.0° |
| C7 | C11 | N10 | C9 | 1.8° | 0.0° |
| C7 | C11 | N10 | O30 | 175.5° | 180.0° |
| C7 | C11 | N10 | C31 | 174.8° | 180.0° |
| C11 | C7 | C18 | N19 | 17.0° | 58.9° |
| C11 | C7 | C18 | C21 | 162.2° | 121.1° |
| C18 | C7 | C8 | C9 | 179.2° | 179.7° |
| C18 | C7 | C8 | O29 | 2.5° | 0.3° |
| C18 | C7 | C11 | N10 | 177.2° | 179.8° |
| C18 | C7 | C11 | O30 | 1.7° | 0.3° |
| C7 | C18 | N19 | C13 | 158.7° | 159.0° |
| C7 | C18 | N19 | C21 | 179.2° | 180.0° |
| C7 | C18 | C21 | S20 | 179.5° | 179.7° |
| C7 | C18 | N19 | HN19 | 21.3° | 21.0° |
| C7 | C18 | C21 | H21 | 0.5° | 0.4° |
| C8 | C9 | N10 | C34 | 119.6° | 119.1° |
| C8 | C9 | N10 | H9 | 123.4° | 119.2° |
| C8 | C9 | C34 | H9 | 123.3° | 121.7° |
| C8 | C9 | N10 | C11 | 4.1° | 0.0° |
| C8 | C9 | N10 | C31 | 172.2° | 180.0° |
| C8 | C9 | C34 | C35 | 58.5° | 53.7° |
| C8 | C9 | C34 | C37 | 179.6° | 173.7° |
| C8 | C9 | C34 | C38 | 57.5° | 66.3° |
| C9 | C8 | O29 | HO29 | 175.7° | 174.8° |
| O29 | C8 | C9 | N10 | 176.7° | 180.0° |
| O29 | C8 | C9 | C34 | 59.8° | 60.9° |
| O29 | C8 | C9 | H9 | 57.2° | 60.8° |
| N10 | C9 | C34 | H9 | 119.4° | 121.7° |
| C9 | N10 | C11 | C31 | 176.6° | 179.9° |
| C9 | N10 | C11 | O30 | 177.3° | 180.0° |
| N10 | C9 | C34 | C35 | 175.7° | 170.2° |
| N10 | C9 | C34 | C37 | 63.2° | 69.8° |
| N10 | C9 | C34 | C38 | 59.7° | 50.2° |
| C9 | N10 | C31 | H31 | 41.9° | 23.5° |
| C9 | N10 | C31 | H31A | 160.1° | 143.5° |
| C34 | C9 | N10 | C11 | 115.5° | 119.1° |
| C34 | C9 | N10 | C31 | 68.2° | 60.9° |
| C9 | C34 | C35 | C37 | 120.8° | 120.0° |
| C9 | C34 | C35 | C38 | 121.2° | 120.0° |
| C9 | C34 | C37 | C38 | 125.8° | 120.0° |
| C9 | C34 | C35 | C36 | 139.5° | 180.0° |
| C9 | C34 | C35 | H35 | 100.4° | 60.0° |
| C9 | C34 | C35 | H35A | 21.8° | 60.0° |
| C9 | C34 | C37 | H37 | 104.5° | 84.1° |
| C9 | C34 | C37 | H37A | 15.5° | 155.9° |
| C9 | C34 | C37 | H37B | 135.5° | 35.9° |
| C9 | C34 | C38 | H38 | 172.4° | 60.0° |
| C9 | C34 | C38 | H38A | 52.4° | 180.0° |
| C9 | C34 | C38 | H38B | 67.6° | 60.0° |
| C11 | N10 | C9 | H9 | 127.5° | 119.1° |
| C11 | N10 | C31 | H31 | 142.2° | 156.6° |
| C11 | N10 | C31 | H31A | 24.1° | 36.5° |
| C31 | N10 | C11 | O30 | 0.7° | 0.0° |
| C31 | N10 | C9 | H9 | 48.9° | 60.8° |
| N10 | C31 | H31 | H31A | 122.0° | 120.0° |
| C13 | C12 | C17 | S20 | 178.6° | 179.7° |
| C12 | C13 | C14 | N19 | 179.1° | 179.6° |
| C12 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C12 | C17 | C16 | 0.2° | 0.2° |
| C12 | C13 | N19 | C18 | 19.3° | 21.1° |
| C13 | C12 | S20 | C21 | 17.2° | 14.2° |
| C13 | C12 | S20 | O22 | 130.2° | 127.4° |
| C13 | C12 | S20 | O23 | 98.6° | 99.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.8° |
| C13 | C12 | C17 | H17 | 179.8° | 179.7° |
| C12 | C13 | N19 | HN19 | 160.7° | 159.0° |
| C17 | C12 | C13 | C14 | 0.4° | 0.3° |
| C17 | C12 | C13 | N19 | 179.5° | 179.2° |
| C12 | C17 | C16 | C15 | 0.5° | 0.0° |
| C12 | C17 | C16 | H17 | 180.0° | 179.9° |
| C12 | C17 | C16 | N24 | 179.6° | 179.9° |
| C17 | C12 | S20 | C21 | 164.2° | 165.5° |
| C17 | C12 | S20 | O22 | 51.2° | 52.3° |
| C17 | C12 | S20 | O23 | 80.0° | 81.2° |
| S20 | C12 | C13 | C14 | 178.9° | 179.4° |
| S20 | C12 | C13 | N19 | 2.0° | 1.0° |
| S20 | C12 | C17 | C16 | 178.8° | 179.5° |
| C12 | S20 | C21 | C18 | 16.5° | 14.8° |
| C12 | S20 | C21 | O22 | 116.9° | 113.2° |
| C12 | S20 | C21 | O23 | 114.4° | 113.3° |
| C12 | S20 | O22 | O23 | 125.0° | 123.8° |
| S20 | C12 | C17 | H17 | 1.2° | 0.6° |
| C12 | S20 | C21 | H21 | 163.4° | 165.3° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.9° | 0.1° |
| C14 | C13 | N19 | C18 | 159.8° | 159.3° |
| C13 | C14 | C15 | H15 | 179.1° | 180.0° |
| C14 | C13 | N19 | HN19 | 20.2° | 20.6° |
| N19 | C13 | C14 | C15 | 179.0° | 179.4° |
| C13 | N19 | C18 | HN19 | 180.0° | 179.9° |
| C13 | N19 | C18 | C21 | 20.5° | 21.0° |
| N19 | C13 | C14 | H14 | 1.0° | 0.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.0° | 0.2° |
| C14 | C15 | C16 | N24 | 179.1° | 179.9° |
| C15 | C16 | C17 | N24 | 179.9° | 179.9° |
| C15 | C16 | N24 | S25 | 153.2° | 45.0° |
| C16 | C15 | C14 | H14 | 179.2° | 180.0° |
| C15 | C16 | C17 | H17 | 179.6° | 179.9° |
| C15 | C16 | N24 | HN24 | 86.8° | 135.0° |
| C17 | C16 | N24 | S25 | 26.8° | 135.0° |
| C17 | C16 | C15 | H15 | 179.0° | 179.9° |
| C17 | C16 | N24 | HN24 | 93.2° | 45.0° |
| C16 | N24 | S25 | HN24 | 120.0° | 180.0° |
| C16 | N24 | S25 | C26 | 93.1° | 65.0° |
| C16 | N24 | S25 | O27 | 153.5° | 179.0° |
| C16 | N24 | S25 | O28 | 22.1° | 51.1° |
| N24 | C16 | C15 | H15 | 1.0° | 0.0° |
| N24 | C16 | C17 | H17 | 0.4° | 0.1° |
| N19 | C18 | C21 | S20 | 0.3° | 0.3° |
| N19 | C18 | C21 | H21 | 179.7° | 179.6° |
| C18 | C21 | S20 | H21 | 180.0° | 179.9° |
| C18 | C21 | S20 | O22 | 133.5° | 128.0° |
| C18 | C21 | S20 | O23 | 97.9° | 98.5° |
| C21 | C18 | N19 | HN19 | 159.5° | 159.1° |
| C21 | S20 | O22 | O23 | 122.8° | 123.8° |
| O22 | S20 | C21 | H21 | 46.5° | 52.1° |
| O23 | S20 | C21 | H21 | 82.2° | 81.4° |
| N24 | S25 | C26 | O27 | 111.3° | 111.6° |
| N24 | S25 | C26 | O28 | 118.1° | 111.7° |
| N24 | S25 | O27 | O28 | 128.6° | 116.8° |
| N24 | S25 | C26 | H26 | 46.9° | 60.0° |
| N24 | S25 | C26 | H26A | 73.2° | 180.0° |
| N24 | S25 | C26 | H26B | 166.9° | 60.0° |
| C26 | S25 | O27 | O28 | 125.8° | 131.5° |
| C26 | S25 | N24 | HN24 | 26.9° | 115.0° |
| S25 | C26 | H26 | H26A | 120.0° | 120.1° |
| S25 | C26 | H26 | H26B | 120.0° | 120.0° |
| S25 | C26 | H26A | H26B | 120.0° | 120.0° |
| O27 | S25 | N24 | HN24 | 86.5° | 1.0° |
| O27 | S25 | C26 | H26 | 158.1° | 51.7° |
| O27 | S25 | C26 | H26A | 38.1° | 68.4° |
| O27 | S25 | C26 | H26B | 81.9° | 171.6° |
| O28 | S25 | N24 | HN24 | 142.0° | 128.9° |
| O28 | S25 | C26 | H26 | 71.2° | 171.6° |
| O28 | S25 | C26 | H26A | 168.8° | 68.3° |
| O28 | S25 | C26 | H26B | 48.8° | 51.7° |
| C35 | C34 | C37 | C38 | 116.5° | 120.0° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | H35A | 117.7° | 120.0° |
| C35 | C34 | C9 | H9 | 64.9° | 68.0° |
| C34 | C35 | H35 | H35A | 117.9° | 120.0° |
| C34 | C35 | C36 | H36 | 81.5° | 60.0° |
| C34 | C35 | C36 | H36A | 38.5° | 60.0° |
| C34 | C35 | C36 | H36B | 158.5° | 180.0° |
| C35 | C34 | C37 | H37 | 13.2° | 155.9° |
| C35 | C34 | C37 | H37A | 133.2° | 35.9° |
| C35 | C34 | C37 | H37B | 106.8° | 84.0° |
| C35 | C34 | C38 | H38 | 71.8° | 60.0° |
| C35 | C34 | C38 | H38A | 168.3° | 60.0° |
| C35 | C34 | C38 | H38B | 48.2° | 180.0° |
| C37 | C34 | C35 | C36 | 18.8° | 60.0° |
| C37 | C34 | C9 | H9 | 56.3° | 52.0° |
| C37 | C34 | C35 | H35 | 138.8° | 180.0° |
| C37 | C34 | C35 | H35A | 99.0° | 60.0° |
| C34 | C37 | H37 | H37A | 120.0° | 120.0° |
| C34 | C37 | H37 | H37B | 120.0° | 120.0° |
| C34 | C37 | H37A | H37B | 120.0° | 120.0° |
| C37 | C34 | C38 | H38 | 48.2° | 180.0° |
| C37 | C34 | C38 | H38A | 71.7° | 60.0° |
| C37 | C34 | C38 | H38B | 168.2° | 60.0° |
| C38 | C34 | C35 | C36 | 99.3° | 60.0° |
| C38 | C34 | C9 | H9 | 179.2° | 172.0° |
| C38 | C34 | C35 | H35 | 20.7° | 60.0° |
| C38 | C34 | C35 | H35A | 143.0° | 180.0° |
| C38 | C34 | C37 | H37 | 129.7° | 36.0° |
| C38 | C34 | C37 | H37A | 110.3° | 84.1° |
| C38 | C34 | C37 | H37B | 9.7° | 156.0° |
| C34 | C38 | H38 | H38A | 120.0° | 120.0° |
| C34 | C38 | H38 | H38B | 120.0° | 120.0° |
| C34 | C38 | H38A | H38B | 120.0° | 120.0° |
| C36 | C35 | H35 | H35A | 117.9° | 120.0° |
| C35 | C36 | H36 | H36A | 120.0° | 120.0° |
| C35 | C36 | H36 | H36B | 120.0° | 120.1° |
| C35 | C36 | H36A | H36B | 120.0° | 120.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H14 | C14 | C15 | H15 | 0.9° | 0.0° |
| H26 | C26 | H26A | H26B | 120.0° | 119.9° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H35 | C35 | C36 | H36 | 158.5° | NaN° |
| H35 | C35 | C36 | H36A | 81.5° | 60.0° |
| H35 | C35 | C36 | H36B | 38.5° | 60.0° |
| H35A | C35 | C36 | H36 | 36.2° | 60.0° |
| H35A | C35 | C36 | H36A | 156.2° | 180.0° |
| H35A | C35 | C36 | H36B | 83.8° | 60.0° |
| H36 | C36 | H36A | H36B | 120.0° | 119.9° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
