PRD_001101
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | S8 | sing | 1.81Å | 1.68Å | |
| S8 | N9 | sing | 1.66Å | 1.61Å | |
| S8 | O22 | doub | 1.42Å | 1.43Å | |
| S8 | O23 | doub | 1.42Å | 1.44Å | |
| N9 | C10 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C18 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.35Å | 1.33Å | |
| C11 | O17 | doub | 1.21Å | 1.23Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| N12 | C16 | sing | 1.48Å | 1.45Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C13 | C24 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C24 | N25 | sing | 1.35Å | 1.33Å | |
| C24 | O33 | doub | 1.21Å | 1.23Å | |
| N25 | C26 | sing | 1.46Å | 1.45Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C34 | sing | 1.48Å | 1.50Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | N35 | doub | 1.30Å | 1.27Å | |
| C34 | N36 | sing | 1.38Å | 1.33Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| N36 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 120.1° |
| C1 | C2 | C3 | 119.9° | 119.9° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C6 | C5 | 120.1° | 119.9° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.1° |
| C2 | C3 | C4 | 120.4° | 120.1° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C3 | C4 | C7 | 120.5° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C5 | C4 | C7 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C4 | C7 | S8 | 112.5° | 109.5° |
| C4 | C7 | H7 | 108.5° | 109.5° |
| C4 | C7 | H7A | 108.4° | 109.5° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C7 | S8 | N9 | 108.3° | 104.5° |
| C7 | S8 | O22 | 108.6° | 110.5° |
| C7 | S8 | O23 | 110.6° | 110.6° |
| S8 | C7 | H7 | 108.5° | 109.4° |
| S8 | C7 | H7A | 108.5° | 109.5° |
| N9 | S8 | O22 | 107.8° | 104.3° |
| N9 | S8 | O23 | 108.8° | 104.3° |
| S8 | N9 | C10 | 121.1° | 120.0° |
| S8 | N9 | HN9 | 105.7° | 120.1° |
| O22 | S8 | O23 | 112.7° | 121.0° |
| N9 | C10 | C11 | 110.9° | 109.5° |
| N9 | C10 | C18 | 110.4° | 109.5° |
| C10 | N9 | HN9 | 105.8° | 120.0° |
| N9 | C10 | H10 | 109.2° | 109.5° |
| C11 | C10 | C18 | 112.9° | 109.4° |
| C10 | C11 | N12 | 117.6° | 120.0° |
| C10 | C11 | O17 | 121.6° | 120.0° |
| C11 | C10 | H10 | 106.4° | 109.5° |
| C10 | C18 | C19 | 111.6° | 109.5° |
| C10 | C18 | C20 | 110.7° | 109.5° |
| C18 | C10 | H10 | 106.9° | 109.4° |
| C10 | C18 | H18 | 107.2° | 109.5° |
| N12 | C11 | O17 | 120.8° | 120.0° |
| C11 | N12 | C13 | 120.6° | 125.6° |
| C11 | N12 | C16 | 126.4° | 125.7° |
| C13 | N12 | C16 | 112.9° | 108.7° |
| N12 | C13 | C14 | 105.5° | 107.3° |
| N12 | C13 | C24 | 107.4° | 109.9° |
| N12 | C13 | H13 | 113.3° | 109.8° |
| N12 | C16 | C15 | 104.5° | 104.7° |
| N12 | C16 | H16 | 111.2° | 110.3° |
| N12 | C16 | H16A | 111.2° | 110.3° |
| C14 | C13 | C24 | 109.2° | 109.9° |
| C13 | C14 | C15 | 105.8° | 102.9° |
| C14 | C13 | H13 | 111.5° | 109.9° |
| C13 | C14 | H14 | 110.7° | 110.7° |
| C13 | C14 | H14A | 110.7° | 110.7° |
| C13 | C24 | N25 | 118.0° | 120.0° |
| C13 | C24 | O33 | 120.1° | 120.0° |
| C24 | C13 | H13 | 109.8° | 110.0° |
| C14 | C15 | C16 | 107.0° | 101.5° |
| C15 | C14 | H14 | 110.7° | 110.7° |
| C15 | C14 | H14A | 110.7° | 110.8° |
| C14 | C15 | H15 | 110.3° | 111.0° |
| C14 | C15 | H15A | 110.3° | 111.0° |
| C16 | C15 | H15 | 110.3° | 111.3° |
| C16 | C15 | H15A | 110.3° | 110.9° |
| C15 | C16 | H16 | 111.1° | 110.6° |
| C15 | C16 | H16A | 111.2° | 110.3° |
| C19 | C18 | C20 | 109.7° | 109.5° |
| C19 | C18 | H18 | 108.3° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H19A | 109.5° | 109.5° |
| C18 | C19 | H19B | 109.5° | 109.5° |
| C20 | C18 | H18 | 109.2° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.4° |
| C18 | C20 | H20A | 109.5° | 109.5° |
| C18 | C20 | H20B | 109.5° | 109.5° |
| N25 | C24 | O33 | 121.8° | 120.0° |
| C24 | N25 | C26 | 123.2° | 120.0° |
| C24 | N25 | HN25 | 118.4° | 120.0° |
| N25 | C26 | C27 | 108.0° | 109.4° |
| C26 | N25 | HN25 | 118.4° | 120.1° |
| N25 | C26 | H26 | 110.0° | 109.5° |
| N25 | C26 | H26A | 110.0° | 109.5° |
| C26 | C27 | C28 | 119.8° | 119.9° |
| C26 | C27 | C32 | 120.6° | 119.9° |
| C27 | C26 | H26 | 109.9° | 109.5° |
| C27 | C26 | H26A | 110.0° | 109.4° |
| C28 | C27 | C32 | 119.6° | 120.2° |
| C27 | C28 | C29 | 120.7° | 120.2° |
| C27 | C28 | H28 | 119.6° | 119.9° |
| C27 | C32 | C31 | 119.5° | 120.1° |
| C27 | C32 | H32 | 120.2° | 119.9° |
| C28 | C29 | C30 | 119.8° | 119.9° |
| C29 | C28 | H28 | 119.6° | 119.9° |
| C28 | C29 | H29 | 120.1° | 120.1° |
| C29 | C30 | C31 | 119.2° | 119.8° |
| C29 | C30 | C34 | 120.4° | 120.1° |
| C30 | C29 | H29 | 120.1° | 120.1° |
| C31 | C30 | C34 | 120.4° | 120.1° |
| C30 | C31 | C32 | 121.2° | 119.8° |
| C30 | C31 | H31 | 119.4° | 120.1° |
| C30 | C34 | N35 | 121.2° | 120.0° |
| C30 | C34 | N36 | 119.2° | 120.0° |
| C32 | C31 | H31 | 119.4° | 120.1° |
| C31 | C32 | H32 | 120.3° | 119.9° |
| N35 | C34 | N36 | 119.6° | 120.0° |
| C34 | N35 | HN35 | 112.0° | 120.0° |
| C34 | N36 | HN36 | 120.0° | 120.0° |
| C34 | N36 | HN3A | 120.0° | 120.0° |
| H7 | C7 | H7A | 110.5° | 109.4° |
| H14 | C14 | H14A | 108.2° | 110.8° |
| H15 | C15 | H15A | 108.6° | 110.9° |
| H16 | C16 | H16A | 107.7° | 110.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.4° |
| H26 | C26 | H26A | 109.0° | 109.5° |
| HN36 | N36 | HN3A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C6 | H6 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.4° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C7 | 179.9° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C7 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C7 | S8 | 81.7° | 90.1° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.5° | 179.9° |
| C3 | C4 | C7 | H7 | 38.3° | 150.0° |
| C3 | C4 | C7 | H7A | 158.3° | 30.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | C7 | S8 | 98.3° | 90.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| C5 | C4 | C7 | H7 | 141.7° | 30.0° |
| C5 | C4 | C7 | H7A | 21.7° | 150.0° |
| C7 | C4 | C5 | C6 | 179.5° | 179.8° |
| C4 | C7 | S8 | H7 | 120.0° | 120.0° |
| C4 | C7 | S8 | H7A | 120.0° | 120.1° |
| C4 | C7 | S8 | N9 | 175.6° | 174.4° |
| C4 | C7 | S8 | O22 | 58.8° | 62.7° |
| C4 | C7 | S8 | O23 | 65.3° | 74.0° |
| C7 | C4 | C3 | H3 | 0.1° | 0.1° |
| C7 | C4 | C5 | H5 | 0.5° | 0.0° |
| C4 | C7 | H7 | H7A | 118.7° | 120.1° |
| C5 | C6 | C1 | H1 | 179.6° | 179.6° |
| C7 | S8 | N9 | O22 | 117.3° | 116.1° |
| C7 | S8 | N9 | O23 | 120.3° | 116.1° |
| C7 | S8 | O22 | O23 | 122.9° | 131.5° |
| C7 | S8 | N9 | C10 | 79.0° | 62.3° |
| S8 | C7 | H7 | H7A | 118.8° | 119.9° |
| C7 | S8 | N9 | HN9 | 41.0° | 117.6° |
| N9 | S8 | O22 | O23 | 120.0° | 116.7° |
| S8 | N9 | C10 | HN9 | 120.0° | 179.9° |
| S8 | N9 | C10 | C11 | 82.6° | 112.2° |
| S8 | N9 | C10 | C18 | 151.5° | 127.8° |
| N9 | S8 | C7 | H7 | 64.4° | 65.6° |
| N9 | S8 | C7 | H7A | 55.6° | 54.3° |
| S8 | N9 | C10 | H10 | 34.2° | 7.8° |
| O22 | S8 | N9 | C10 | 163.8° | 53.7° |
| O22 | S8 | C7 | H7 | 178.8° | 177.3° |
| O22 | S8 | C7 | H7A | 61.2° | 57.3° |
| O22 | S8 | N9 | HN9 | 76.2° | 126.4° |
| O23 | S8 | N9 | C10 | 41.3° | 178.4° |
| O23 | S8 | C7 | H7 | 54.7° | 46.0° |
| O23 | S8 | C7 | H7A | 174.7° | 166.0° |
| O23 | S8 | N9 | HN9 | 161.3° | 1.4° |
| N9 | C10 | C11 | C18 | 124.5° | 120.0° |
| N9 | C10 | C11 | H10 | 118.5° | 120.0° |
| N9 | C10 | C18 | H10 | 118.6° | 120.0° |
| N9 | C10 | C11 | N12 | 149.6° | 158.5° |
| N9 | C10 | C11 | O17 | 29.8° | 21.5° |
| N9 | C10 | C18 | C19 | 61.1° | 57.8° |
| N9 | C10 | C18 | C20 | 61.3° | 62.2° |
| N9 | C10 | C18 | H18 | 179.6° | 177.8° |
| C11 | C10 | C18 | H10 | 116.6° | 120.0° |
| C10 | C11 | N12 | O17 | 179.4° | 180.0° |
| C10 | C11 | N12 | C13 | 176.8° | 175.1° |
| C10 | C11 | N12 | C16 | 0.8° | 4.7° |
| C11 | C10 | C18 | C19 | 174.1° | 62.2° |
| C11 | C10 | C18 | C20 | 63.4° | 177.8° |
| C11 | C10 | N9 | HN9 | 37.3° | 67.9° |
| C11 | C10 | C18 | H18 | 55.7° | 57.8° |
| C18 | C10 | C11 | N12 | 85.9° | 81.5° |
| C18 | C10 | C11 | O17 | 94.7° | 98.5° |
| C10 | C18 | C19 | C20 | 123.0° | 120.0° |
| C10 | C18 | C19 | H18 | 117.8° | 120.0° |
| C10 | C18 | C20 | H18 | 117.9° | 120.0° |
| C18 | C10 | N9 | HN9 | 88.6° | 52.1° |
| C10 | C18 | C19 | H19 | 180.0° | 64.4° |
| C10 | C18 | C19 | H19A | 60.0° | 175.6° |
| C10 | C18 | C19 | H19B | 60.0° | 55.6° |
| C10 | C18 | C20 | H20 | 180.0° | 53.5° |
| C10 | C18 | C20 | H20A | 60.0° | 173.5° |
| C10 | C18 | C20 | H20B | 60.0° | 66.5° |
| C11 | N12 | C13 | C16 | 176.5° | 179.8° |
| C11 | N12 | C13 | C14 | 175.6° | 179.0° |
| C11 | N12 | C13 | C24 | 59.2° | 59.5° |
| C11 | N12 | C16 | C15 | 171.9° | 155.8° |
| N12 | C11 | C10 | H10 | 31.0° | 38.4° |
| C11 | N12 | C13 | H13 | 62.2° | 61.7° |
| C11 | N12 | C16 | H16 | 52.0° | 85.2° |
| C11 | N12 | C16 | H16A | 68.0° | 37.1° |
| O17 | C11 | N12 | C13 | 2.7° | 4.9° |
| O17 | C11 | N12 | C16 | 178.6° | 175.3° |
| O17 | C11 | C10 | H10 | 148.4° | 141.5° |
| N12 | C13 | C14 | C24 | 115.1° | 119.5° |
| N12 | C13 | C14 | H13 | 123.4° | 119.3° |
| N12 | C13 | C24 | H13 | 123.5° | 121.1° |
| N12 | C13 | C14 | C15 | 13.4° | 22.2° |
| C13 | N12 | C16 | C15 | 11.8° | 24.4° |
| N12 | C13 | C24 | N25 | 140.1° | 180.0° |
| N12 | C13 | C24 | O33 | 39.0° | 0.0° |
| N12 | C13 | C14 | H14 | 106.6° | 140.6° |
| N12 | C13 | C14 | H14A | 133.4° | 96.2° |
| C13 | N12 | C16 | H16 | 131.8° | 94.5° |
| C13 | N12 | C16 | H16A | 108.2° | 143.2° |
| C16 | N12 | C13 | C14 | 0.9° | 1.3° |
| C16 | N12 | C13 | C24 | 117.3° | 120.7° |
| N12 | C16 | C15 | C14 | 19.9° | 37.3° |
| N12 | C16 | C15 | H16 | 120.0° | 118.8° |
| N12 | C16 | C15 | H16A | 120.0° | 118.7° |
| C16 | N12 | C13 | H13 | 121.4° | 118.1° |
| N12 | C16 | C15 | H15 | 139.9° | 80.8° |
| N12 | C16 | C15 | H15A | 100.1° | 155.3° |
| N12 | C16 | H16 | H16A | 122.0° | 122.2° |
| C14 | C13 | C24 | H13 | 122.6° | 121.1° |
| C13 | C14 | C15 | H14 | 120.0° | 118.3° |
| C13 | C14 | C15 | H14A | 120.0° | 118.4° |
| C13 | C14 | C15 | C16 | 20.7° | 35.7° |
| C14 | C13 | C24 | N25 | 106.0° | 62.2° |
| C14 | C13 | C24 | O33 | 74.9° | 117.8° |
| C13 | C14 | H14 | H14A | 121.5° | 123.2° |
| C13 | C14 | C15 | H15 | 140.7° | 82.6° |
| C13 | C14 | C15 | H15A | 99.3° | 153.6° |
| C24 | C13 | C14 | C15 | 128.5° | 97.2° |
| C13 | C24 | N25 | O33 | 179.1° | 179.9° |
| C13 | C24 | N25 | C26 | 179.7° | 180.0° |
| C24 | C13 | C14 | H14 | 8.5° | 21.1° |
| C24 | C13 | C14 | H14A | 111.5° | 144.4° |
| C13 | C24 | N25 | HN25 | 0.3° | 0.1° |
| C14 | C15 | C16 | H15 | 120.0° | 118.1° |
| C14 | C15 | C16 | H15A | 120.0° | 117.9° |
| C15 | C14 | C13 | H13 | 110.0° | 141.6° |
| C15 | C14 | H14 | H14A | 121.5° | 123.3° |
| C14 | C15 | H15 | H15A | 121.0° | 123.8° |
| C14 | C15 | C16 | H16 | 139.9° | 81.5° |
| C14 | C15 | C16 | H16A | 100.1° | 156.0° |
| C16 | C15 | C14 | H14 | 99.3° | 154.0° |
| C16 | C15 | C14 | H14A | 140.7° | 82.6° |
| C16 | C15 | H15 | H15A | 121.0° | 123.9° |
| C15 | C16 | H16 | H16A | 122.0° | 122.4° |
| C19 | C18 | C20 | H18 | 118.6° | 120.0° |
| C19 | C18 | C10 | H10 | 57.5° | 177.9° |
| C18 | C19 | H19 | H19A | 120.0° | 120.0° |
| C18 | C19 | H19 | H19B | 120.0° | 120.0° |
| C18 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C18 | C20 | H20 | 56.4° | 173.5° |
| C19 | C18 | C20 | H20A | 176.4° | 66.5° |
| C19 | C18 | C20 | H20B | 63.5° | 53.5° |
| C20 | C18 | C10 | H10 | 180.0° | 57.9° |
| C20 | C18 | C19 | H19 | 57.0° | 55.5° |
| C20 | C18 | C19 | H19A | 63.0° | 64.4° |
| C20 | C18 | C19 | H19B | 177.0° | 175.6° |
| C18 | C20 | H20 | H20A | 120.0° | 120.0° |
| C18 | C20 | H20 | H20B | 120.0° | 120.0° |
| C18 | C20 | H20A | H20B | 120.0° | 120.0° |
| C24 | N25 | C26 | HN25 | 180.0° | 179.9° |
| C24 | N25 | C26 | C27 | 107.4° | 179.9° |
| N25 | C24 | C13 | H13 | 16.6° | 59.0° |
| C24 | N25 | C26 | H26 | 132.7° | 60.1° |
| C24 | N25 | C26 | H26A | 12.6° | 60.0° |
| O33 | C24 | N25 | C26 | 0.7° | 0.0° |
| O33 | C24 | C13 | H13 | 162.5° | 121.1° |
| O33 | C24 | N25 | HN25 | 179.4° | 180.0° |
| N25 | C26 | C27 | H26 | 120.0° | 120.0° |
| N25 | C26 | C27 | H26A | 120.0° | 120.0° |
| N25 | C26 | C27 | C28 | 96.4° | 90.0° |
| N25 | C26 | C27 | C32 | 83.3° | 90.2° |
| N25 | C26 | H26 | H26A | 120.6° | 120.1° |
| C26 | C27 | C28 | C32 | 179.7° | 179.8° |
| C26 | C27 | C28 | C29 | 179.6° | 180.0° |
| C26 | C27 | C32 | C31 | 179.6° | 179.7° |
| C27 | C26 | N25 | HN25 | 72.7° | 0.0° |
| C27 | C26 | H26 | H26A | 120.6° | 119.9° |
| C26 | C27 | C28 | H28 | 0.4° | 0.1° |
| C26 | C27 | C32 | H32 | 0.4° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.6° | 0.0° |
| C28 | C27 | C32 | C31 | 0.1° | 0.5° |
| C28 | C27 | C26 | H26 | 143.6° | 30.0° |
| C28 | C27 | C26 | H26A | 23.6° | 150.1° |
| C27 | C28 | C29 | H29 | 179.4° | 180.0° |
| C28 | C27 | C32 | H32 | 179.9° | 179.7° |
| C32 | C27 | C28 | C29 | 0.2° | 0.2° |
| C27 | C32 | C31 | C30 | 0.4° | 0.5° |
| C27 | C32 | C31 | H32 | 180.0° | 179.8° |
| C32 | C27 | C26 | H26 | 36.7° | 149.8° |
| C32 | C27 | C26 | H26A | 156.7° | 29.7° |
| C32 | C27 | C28 | H28 | 179.8° | 179.7° |
| C27 | C32 | C31 | H31 | 179.6° | 179.7° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.9° | 0.0° |
| C28 | C29 | C30 | C34 | 180.0° | 180.0° |
| C29 | C30 | C31 | C34 | 179.1° | 180.0° |
| C29 | C30 | C31 | C32 | 0.8° | 0.2° |
| C29 | C30 | C34 | N35 | 5.0° | 0.0° |
| C29 | C30 | C34 | N36 | 175.5° | 180.0° |
| C30 | C29 | C28 | H28 | 179.4° | 180.0° |
| C29 | C30 | C31 | H31 | 179.2° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.8° |
| C31 | C30 | C34 | N35 | 174.2° | 180.0° |
| C31 | C30 | C34 | N36 | 5.4° | 0.1° |
| C31 | C30 | C29 | H29 | 179.1° | 180.0° |
| C30 | C31 | C32 | H32 | 179.6° | 179.7° |
| C34 | C30 | C31 | C32 | 179.9° | 179.8° |
| C30 | C34 | N35 | N36 | 179.6° | 179.9° |
| C34 | C30 | C29 | H29 | 0.0° | 0.0° |
| C34 | C30 | C31 | H31 | 0.0° | 0.0° |
| C30 | C34 | N35 | HN35 | 179.6° | 180.0° |
| C30 | C34 | N36 | HN36 | 179.6° | 0.0° |
| C30 | C34 | N36 | HN3A | 0.4° | 180.0° |
| N35 | C34 | N36 | HN36 | 0.0° | 180.0° |
| N35 | C34 | N36 | HN3A | 180.0° | 0.1° |
| N36 | C34 | N35 | HN35 | 0.0° | 0.1° |
| C34 | N36 | HN36 | HN3A | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H1 | C1 | C6 | H6 | 0.4° | 0.3° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.1° |
| HN9 | N9 | C10 | H10 | 154.2° | 172.1° |
| H10 | C10 | C18 | H18 | 61.0° | 62.1° |
| H13 | C13 | C14 | H14 | 130.0° | 100.1° |
| H13 | C13 | C14 | H14A | 10.0° | 23.2° |
| H14 | C14 | C15 | H15 | 20.7° | 35.7° |
| H14 | C14 | C15 | H15A | 140.7° | 88.1° |
| H14A | C14 | C15 | H15 | 99.3° | 159.0° |
| H14A | C14 | C15 | H15A | 20.7° | 35.3° |
| H15 | C15 | C16 | H16 | 100.1° | 160.4° |
| H15 | C15 | C16 | H16A | 19.9° | 37.9° |
| H15A | C15 | C16 | H16 | 19.9° | 36.5° |
| H15A | C15 | C16 | H16A | 139.9° | 86.0° |
| H18 | C18 | C19 | H19 | 62.2° | 175.5° |
| H18 | C18 | C19 | H19A | 177.8° | 55.6° |
| H18 | C18 | C19 | H19B | 57.8° | 64.4° |
| H18 | C18 | C20 | H20 | 62.1° | 66.5° |
| H18 | C18 | C20 | H20A | 57.9° | 53.5° |
| H18 | C18 | C20 | H20B | 177.9° | 173.5° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| HN25 | N25 | C26 | H26 | 47.3° | 120.0° |
| HN25 | N25 | C26 | H26A | 167.3° | 119.9° |
| H28 | C28 | C29 | H29 | 0.6° | 0.1° |
| H31 | C31 | C32 | H32 | 0.4° | 0.0° |
