PRD_001087
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 |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | S8 | sing | 1.81Å | 1.67Å | |
| S8 | N9 | sing | 1.66Å | 1.60Å | |
| S8 | O13 | doub | 1.42Å | 1.44Å | |
| S8 | O14 | doub | 1.42Å | 1.44Å | |
| N9 | C10 | sing | 1.46Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | N12 | sing | 1.35Å | 1.33Å | |
| C11 | O15 | doub | 1.21Å | 1.23Å | |
| N12 | C16 | sing | 1.47Å | 1.46Å | |
| N12 | C23 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C21 | sing | 1.54Å | 1.52Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | N19 | sing | 1.35Å | 1.34Å | |
| N19 | C20 | sing | 1.47Å | 1.46Å | |
| C20 | C24 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.48Å | 1.50Å | |
| C26 | N30 | doub | 1.30Å | 1.26Å | |
| C26 | N32 | sing | 1.38Å | 1.26Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | 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 | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| N32 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.3° | 120.0° |
| C1 | C6 | C7 | 119.9° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C6 | C7 | S8 | 110.4° | 109.5° |
| C6 | C7 | H7 | 109.2° | 109.4° |
| C6 | C7 | H7A | 109.2° | 109.4° |
| C7 | S8 | N9 | 108.5° | 104.4° |
| C7 | S8 | O13 | 112.1° | 110.5° |
| C7 | S8 | O14 | 109.4° | 110.6° |
| S8 | C7 | H7 | 109.1° | 109.5° |
| S8 | C7 | H7A | 109.1° | 109.5° |
| N9 | S8 | O13 | 108.9° | 104.3° |
| N9 | S8 | O14 | 108.3° | 104.3° |
| S8 | N9 | C10 | 118.1° | 120.0° |
| S8 | N9 | HN9 | 106.7° | 120.0° |
| O13 | S8 | O14 | 109.6° | 121.1° |
| N9 | C10 | C11 | 110.3° | 109.5° |
| C10 | N9 | HN9 | 106.7° | 120.0° |
| N9 | C10 | H10 | 109.2° | 109.5° |
| N9 | C10 | H10A | 109.1° | 109.5° |
| C10 | C11 | N12 | 116.1° | 120.0° |
| C10 | C11 | O15 | 119.5° | 120.0° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C11 | C10 | H10A | 109.2° | 109.4° |
| N12 | C11 | O15 | 124.4° | 120.0° |
| C11 | N12 | C16 | 120.7° | 125.7° |
| C11 | N12 | C23 | 126.1° | 125.7° |
| C16 | N12 | C23 | 113.2° | 108.7° |
| N12 | C16 | C17 | 109.8° | 109.9° |
| N12 | C16 | C21 | 105.6° | 107.3° |
| N12 | C16 | H16 | 111.9° | 109.9° |
| N12 | C23 | C22 | 104.7° | 104.8° |
| N12 | C23 | H23 | 111.1° | 110.3° |
| N12 | C23 | H23A | 111.1° | 110.3° |
| C17 | C16 | C21 | 109.5° | 109.9° |
| C16 | C17 | O18 | 120.6° | 119.9° |
| C16 | C17 | N19 | 117.0° | 120.1° |
| C17 | C16 | H16 | 108.0° | 109.8° |
| C16 | C21 | C22 | 106.0° | 103.0° |
| C21 | C16 | H16 | 112.1° | 110.0° |
| C16 | C21 | H21 | 110.7° | 110.7° |
| C16 | C21 | H21A | 110.7° | 110.7° |
| O18 | C17 | N19 | 122.4° | 120.0° |
| C17 | N19 | C20 | 124.3° | 120.0° |
| C17 | N19 | HN19 | 117.9° | 120.0° |
| N19 | C20 | C24 | 109.2° | 109.5° |
| C20 | N19 | HN19 | 117.8° | 120.0° |
| N19 | C20 | H20 | 109.6° | 109.5° |
| N19 | C20 | H20A | 109.5° | 109.4° |
| C20 | C24 | C25 | 119.5° | 119.8° |
| C20 | C24 | C31 | 120.8° | 119.9° |
| C24 | C20 | H20 | 109.5° | 109.5° |
| C24 | C20 | H20A | 109.6° | 109.5° |
| C21 | C22 | C23 | 107.6° | 101.4° |
| C22 | C21 | H21 | 110.6° | 110.7° |
| C22 | C21 | H21A | 110.6° | 110.7° |
| C21 | C22 | H22 | 110.1° | 111.0° |
| C21 | C22 | H22A | 110.1° | 111.0° |
| C23 | C22 | H22 | 110.1° | 111.2° |
| C23 | C22 | H22A | 110.1° | 110.9° |
| C22 | C23 | H23 | 111.1° | 110.5° |
| C22 | C23 | H23A | 111.1° | 110.3° |
| C25 | C24 | C31 | 119.7° | 120.3° |
| C24 | C25 | C27 | 120.1° | 120.1° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C24 | C31 | C29 | 120.3° | 120.1° |
| C24 | C31 | H31 | 119.9° | 119.9° |
| C25 | C27 | C28 | 120.5° | 119.9° |
| C27 | C25 | H25 | 120.0° | 119.9° |
| C25 | C27 | H27 | 119.7° | 120.0° |
| C28 | C26 | N30 | 119.9° | 120.0° |
| C28 | C26 | N32 | 120.5° | 120.0° |
| C26 | C28 | C27 | 119.7° | 120.1° |
| C26 | C28 | C29 | 120.8° | 120.2° |
| N30 | C26 | N32 | 119.5° | 120.0° |
| C26 | N30 | HN30 | 112.0° | 119.9° |
| C26 | N32 | HN32 | 120.0° | 120.0° |
| C26 | N32 | HN3A | 120.0° | 120.0° |
| C27 | C28 | C29 | 119.5° | 119.7° |
| C28 | C27 | H27 | 119.8° | 120.1° |
| C28 | C29 | C31 | 120.0° | 119.9° |
| C28 | C29 | H29 | 120.0° | 120.0° |
| C31 | C29 | H29 | 120.0° | 120.1° |
| C29 | C31 | H31 | 119.8° | 120.0° |
| H7 | C7 | H7A | 109.8° | 109.4° |
| H10 | C10 | H10A | 109.8° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H21 | C21 | H21A | 108.3° | 110.7° |
| H22 | C22 | H22A | 108.9° | 111.0° |
| H23 | C23 | H23A | 107.8° | 110.4° |
| HN32 | N32 | 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 | 0.0° | 0.0° |
| C2 | C1 | C6 | C7 | 179.2° | 180.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | C7 | 179.2° | 180.0° |
| C1 | C6 | C7 | S8 | 105.0° | 90.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C1 | C6 | C7 | H7 | 135.0° | 150.0° |
| C1 | C6 | C7 | H7A | 15.0° | 30.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 179.4° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.6° | 179.9° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C5 | C6 | C7 | S8 | 74.2° | 90.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.7° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C5 | C6 | C7 | H7 | 45.8° | 30.0° |
| C5 | C6 | C7 | H7A | 165.8° | 149.9° |
| C6 | C7 | S8 | H7 | 120.0° | 120.0° |
| C6 | C7 | S8 | H7A | 120.0° | 120.0° |
| C6 | C7 | S8 | N9 | 52.7° | 180.0° |
| C6 | C7 | S8 | O13 | 67.7° | 68.4° |
| C6 | C7 | S8 | O14 | 170.6° | 68.4° |
| C7 | C6 | C1 | H1 | 0.7° | 0.3° |
| C7 | C6 | C5 | H5 | 0.4° | 0.0° |
| C6 | C7 | H7 | H7A | 119.6° | 119.9° |
| C7 | S8 | N9 | O13 | 122.3° | 116.0° |
| C7 | S8 | N9 | O14 | 118.6° | 116.1° |
| C7 | S8 | O13 | O14 | 121.6° | 131.6° |
| C7 | S8 | N9 | C10 | 99.6° | 65.0° |
| S8 | C7 | H7 | H7A | 119.6° | 120.1° |
| C7 | S8 | N9 | HN9 | 140.3° | 115.0° |
| N9 | S8 | O13 | O14 | 118.3° | 116.8° |
| S8 | N9 | C10 | HN9 | 120.0° | 180.0° |
| S8 | N9 | C10 | C11 | 172.4° | 165.0° |
| N9 | S8 | C7 | H7 | 172.7° | 60.0° |
| N9 | S8 | C7 | H7A | 67.3° | 60.0° |
| S8 | N9 | C10 | H10 | 52.4° | 75.0° |
| S8 | N9 | C10 | H10A | 67.6° | 45.0° |
| O13 | S8 | N9 | C10 | 22.7° | 51.0° |
| O13 | S8 | C7 | H7 | 52.4° | 171.6° |
| O13 | S8 | C7 | H7A | 172.4° | 51.6° |
| O13 | S8 | N9 | HN9 | 97.3° | 128.9° |
| O14 | S8 | N9 | C10 | 141.8° | 178.9° |
| O14 | S8 | C7 | H7 | 69.4° | 51.6° |
| O14 | S8 | C7 | H7A | 50.6° | 171.6° |
| O14 | S8 | N9 | HN9 | 21.7° | 1.1° |
| N9 | C10 | C11 | H10 | 120.0° | 120.0° |
| N9 | C10 | C11 | H10A | 120.0° | 120.0° |
| N9 | C10 | C11 | N12 | 162.5° | 180.0° |
| N9 | C10 | C11 | O15 | 17.6° | 0.0° |
| N9 | C10 | H10 | H10A | 119.6° | 120.1° |
| C10 | C11 | N12 | O15 | 179.9° | 179.9° |
| C10 | C11 | N12 | C16 | 179.3° | 180.0° |
| C10 | C11 | N12 | C23 | 0.4° | 0.3° |
| C11 | C10 | N9 | HN9 | 67.6° | 15.0° |
| C11 | C10 | H10 | H10A | 119.7° | 119.9° |
| C11 | N12 | C16 | C23 | 179.8° | 179.8° |
| C11 | N12 | C16 | C17 | 54.1° | 59.5° |
| C11 | N12 | C16 | C21 | 172.0° | 179.0° |
| C11 | N12 | C23 | C22 | 177.2° | 155.8° |
| N12 | C11 | C10 | H10 | 42.5° | 60.0° |
| N12 | C11 | C10 | H10A | 77.5° | 60.0° |
| C11 | N12 | C16 | H16 | 65.8° | 61.4° |
| C11 | N12 | C23 | H23 | 57.2° | 85.3° |
| C11 | N12 | C23 | H23A | 62.9° | 37.0° |
| O15 | C11 | N12 | C16 | 0.6° | 0.1° |
| O15 | C11 | N12 | C23 | 179.7° | 179.7° |
| O15 | C11 | C10 | H10 | 137.6° | 120.0° |
| O15 | C11 | C10 | H10A | 102.4° | 120.1° |
| N12 | C16 | C17 | C21 | 115.4° | 117.9° |
| N12 | C16 | C17 | H16 | 122.2° | 121.0° |
| N12 | C16 | C21 | H16 | 122.0° | 119.5° |
| N12 | C16 | C17 | O18 | 40.3° | 0.0° |
| N12 | C16 | C17 | N19 | 139.2° | 180.0° |
| N12 | C16 | C21 | C22 | 15.3° | 22.2° |
| C16 | N12 | C23 | C22 | 3.1° | 24.4° |
| N12 | C16 | C21 | H21 | 104.7° | 140.6° |
| N12 | C16 | C21 | H21A | 135.3° | 96.2° |
| C16 | N12 | C23 | H23 | 123.1° | 94.5° |
| C16 | N12 | C23 | H23A | 116.9° | 143.2° |
| C23 | N12 | C16 | C17 | 125.7° | 120.7° |
| C23 | N12 | C16 | C21 | 7.7° | 1.3° |
| N12 | C23 | C22 | C21 | 12.8° | 37.3° |
| N12 | C23 | C22 | H23 | 120.0° | 118.8° |
| N12 | C23 | C22 | H23A | 120.0° | 118.8° |
| C23 | N12 | C16 | H16 | 114.4° | 118.3° |
| N12 | C23 | C22 | H22 | 132.8° | 80.8° |
| N12 | C23 | C22 | H22A | 107.2° | 155.2° |
| N12 | C23 | H23 | H23A | 121.9° | 122.3° |
| C17 | C16 | C21 | H16 | 119.9° | 121.0° |
| C16 | C17 | O18 | N19 | 179.4° | 180.0° |
| C16 | C17 | N19 | C20 | 179.8° | 180.0° |
| C17 | C16 | C21 | C22 | 133.4° | 97.2° |
| C16 | C17 | N19 | HN19 | 0.3° | 0.0° |
| C17 | C16 | C21 | H21 | 13.4° | 21.1° |
| C17 | C16 | C21 | H21A | 106.6° | 144.3° |
| C21 | C16 | C17 | O18 | 75.2° | 117.8° |
| C21 | C16 | C17 | N19 | 105.3° | 62.2° |
| C16 | C21 | C22 | H21 | 120.0° | 118.4° |
| C16 | C21 | C22 | H21A | 120.0° | 118.4° |
| C16 | C21 | C22 | C23 | 17.5° | 35.7° |
| C16 | C21 | H21 | H21A | 121.4° | 123.2° |
| C16 | C21 | C22 | H22 | 137.5° | 82.5° |
| C16 | C21 | C22 | H22A | 102.5° | 153.5° |
| O18 | C17 | N19 | C20 | 0.8° | 0.0° |
| O18 | C17 | C16 | H16 | 162.5° | 121.0° |
| O18 | C17 | N19 | HN19 | 179.2° | 180.0° |
| C17 | N19 | C20 | HN19 | 180.0° | 180.0° |
| C17 | N19 | C20 | C24 | 109.1° | 180.0° |
| N19 | C17 | C16 | H16 | 17.0° | 59.0° |
| C17 | N19 | C20 | H20 | 130.9° | 60.0° |
| C17 | N19 | C20 | H20A | 10.9° | 60.0° |
| N19 | C20 | C24 | H20 | 120.0° | 120.0° |
| N19 | C20 | C24 | H20A | 120.0° | 119.9° |
| N19 | C20 | C24 | C25 | 93.9° | 90.0° |
| N19 | C20 | C24 | C31 | 86.3° | 90.2° |
| N19 | C20 | H20 | H20A | 120.1° | 120.0° |
| C20 | C24 | C25 | C31 | 179.8° | 179.7° |
| C20 | C24 | C25 | C27 | 179.8° | 180.0° |
| C20 | C24 | C31 | C29 | 179.9° | 179.7° |
| C24 | C20 | N19 | HN19 | 70.9° | 0.1° |
| C24 | C20 | H20 | H20A | 120.1° | 120.0° |
| C20 | C24 | C25 | H25 | 0.2° | 0.0° |
| C20 | C24 | C31 | H31 | 0.1° | 0.0° |
| C21 | C22 | C23 | H22 | 120.0° | 118.1° |
| C21 | C22 | C23 | H22A | 120.0° | 118.0° |
| C22 | C21 | C16 | H16 | 106.7° | 141.7° |
| C22 | C21 | H21 | H21A | 121.4° | 123.2° |
| C21 | C22 | H22 | H22A | 120.8° | 123.9° |
| C21 | C22 | C23 | H23 | 132.8° | 81.5° |
| C21 | C22 | C23 | H23A | 107.2° | 156.0° |
| C23 | C22 | C21 | H21 | 102.5° | 154.0° |
| C23 | C22 | C21 | H21A | 137.5° | 82.7° |
| C23 | C22 | H22 | H22A | 120.8° | 123.9° |
| C22 | C23 | H23 | H23A | 121.9° | 122.4° |
| C24 | C25 | C27 | H25 | 180.0° | 180.0° |
| C24 | C25 | C27 | C28 | 0.0° | 0.0° |
| C25 | C24 | C31 | C29 | 0.3° | 0.5° |
| C25 | C24 | C20 | H20 | 26.1° | 30.0° |
| C25 | C24 | C20 | H20A | 146.1° | 150.0° |
| C24 | C25 | C27 | H27 | 180.0° | 180.0° |
| C25 | C24 | C31 | H31 | 179.7° | 179.7° |
| C31 | C24 | C25 | C27 | 0.0° | 0.3° |
| C24 | C31 | C29 | C28 | 0.5° | 0.5° |
| C24 | C31 | C29 | H31 | 180.0° | 179.7° |
| C31 | C24 | C20 | H20 | 153.7° | 149.7° |
| C31 | C24 | C20 | H20A | 33.7° | 29.7° |
| C31 | C24 | C25 | H25 | 180.0° | 179.7° |
| C24 | C31 | C29 | H29 | 179.5° | 179.7° |
| C25 | C27 | C28 | C26 | 179.4° | 180.0° |
| C25 | C27 | C28 | H27 | 180.0° | 180.0° |
| C25 | C27 | C28 | C29 | 0.2° | 0.1° |
| C28 | C26 | N30 | N32 | 179.9° | 180.0° |
| C26 | C28 | C27 | C29 | 179.2° | 179.9° |
| C26 | C28 | C29 | C31 | 179.7° | 179.8° |
| C26 | C28 | C27 | H27 | 0.6° | 0.1° |
| C26 | C28 | C29 | H29 | 0.3° | 0.0° |
| C28 | C26 | N30 | HN30 | 179.9° | 180.0° |
| C28 | C26 | N32 | HN32 | 179.9° | 0.1° |
| C28 | C26 | N32 | HN3A | 0.1° | 180.0° |
| N30 | C26 | C28 | C27 | 11.1° | 0.0° |
| N30 | C26 | C28 | C29 | 168.1° | 180.0° |
| N30 | C26 | N32 | HN32 | 0.0° | 180.0° |
| N30 | C26 | N32 | HN3A | 180.0° | 0.1° |
| N32 | C26 | C28 | C27 | 169.0° | 180.0° |
| N32 | C26 | C28 | C29 | 11.8° | 0.1° |
| N32 | C26 | N30 | HN30 | 0.0° | 0.0° |
| C26 | N32 | HN32 | HN3A | 180.0° | 179.9° |
| C27 | C28 | C29 | C31 | 0.5° | 0.3° |
| C28 | C27 | C25 | H25 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.5° | 180.0° |
| C28 | C29 | C31 | H29 | 180.0° | 179.7° |
| C29 | C28 | C27 | H27 | 179.8° | 180.0° |
| C28 | C29 | C31 | H31 | 179.5° | 179.7° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.1° |
| H4 | C4 | C5 | H5 | 0.6° | 0.1° |
| HN9 | N9 | C10 | H10 | 172.4° | 105.0° |
| HN9 | N9 | C10 | H10A | 52.4° | 135.0° |
| H16 | C16 | C21 | H21 | 133.3° | 99.9° |
| H16 | C16 | C21 | H21A | 13.3° | 23.3° |
| HN19 | N19 | C20 | H20 | 49.1° | 120.0° |
| HN19 | N19 | C20 | H20A | 169.1° | 120.0° |
| H21 | C21 | C22 | H22 | 17.5° | 35.8° |
| H21 | C21 | C22 | H22A | 137.5° | 88.1° |
| H21A | C21 | C22 | H22 | 102.5° | 159.0° |
| H21A | C21 | C22 | H22A | 17.5° | 35.1° |
| H22 | C22 | C23 | H23 | 107.2° | 160.4° |
| H22 | C22 | C23 | H23A | 12.8° | 38.0° |
| H22A | C22 | C23 | H23 | 12.8° | 36.4° |
| H22A | C22 | C23 | H23A | 132.8° | 86.0° |
| H25 | C25 | C27 | H27 | 0.1° | 0.0° |
| H29 | C29 | C31 | H31 | 0.5° | 0.0° |
