PRD_001090
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 | 1.40Å | Aromatic |
| C2 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| CL3 | C29 | sing | 1.74Å | 1.78Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C30 | doub | 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 | 1.68Å | |
| S8 | N9 | sing | 1.66Å | 1.61Å | |
| S8 | O13 | doub | 1.42Å | 1.43Å | |
| S8 | O14 | doub | 1.42Å | 1.43Å | |
| N9 | C10 | sing | 1.47Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | N12 | sing | 1.35Å | 1.32Å | |
| C11 | O15 | doub | 1.21Å | 1.22Å | |
| N12 | C16 | sing | 1.47Å | 1.47Å | |
| N12 | C23 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C21 | sing | 1.54Å | 1.53Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | N19 | sing | 1.35Å | 1.34Å | |
| N19 | C20 | sing | 1.47Å | 1.45Å | |
| C20 | C24 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N32 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | 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 | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | HN32 | sing | 1.01Å | 1.00Å | |
| N32 | HN3A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.7° | 120.0° |
| C1 | C2 | C30 | 119.8° | 120.0° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C1 | C6 | C5 | 119.3° | 120.0° |
| C1 | C6 | C7 | 119.8° | 120.0° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C2 | C30 | C4 | 119.7° | 120.0° |
| C30 | C2 | H2 | 120.1° | 120.0° |
| C2 | C30 | H30 | 120.2° | 120.0° |
| CL3 | C29 | C28 | 119.3° | 120.0° |
| CL3 | C29 | C31 | 118.3° | 120.1° |
| C5 | C4 | C30 | 120.6° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C5 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C30 | C4 | H4 | 119.7° | 120.0° |
| C4 | C30 | H30 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C6 | C7 | S8 | 112.7° | 109.5° |
| C6 | C7 | H7 | 108.4° | 109.5° |
| C6 | C7 | H7A | 108.4° | 109.5° |
| C7 | S8 | N9 | 107.9° | 104.5° |
| C7 | S8 | O13 | 112.4° | 110.5° |
| C7 | S8 | O14 | 109.2° | 110.5° |
| S8 | C7 | H7 | 108.4° | 109.4° |
| S8 | C7 | H7A | 108.4° | 109.5° |
| N9 | S8 | O13 | 109.0° | 104.3° |
| N9 | S8 | O14 | 108.2° | 104.3° |
| S8 | N9 | C10 | 118.0° | 120.0° |
| S8 | N9 | HN9 | 106.7° | 120.0° |
| O13 | S8 | O14 | 110.0° | 121.1° |
| N9 | C10 | C11 | 109.8° | 109.5° |
| C10 | N9 | HN9 | 106.7° | 120.0° |
| N9 | C10 | H10 | 109.4° | 109.5° |
| N9 | C10 | H10A | 109.4° | 109.5° |
| C10 | C11 | N12 | 115.3° | 120.0° |
| C10 | C11 | O15 | 119.9° | 120.0° |
| C11 | C10 | H10 | 109.4° | 109.4° |
| C11 | C10 | H10A | 109.4° | 109.4° |
| N12 | C11 | O15 | 124.8° | 120.0° |
| C11 | N12 | C16 | 121.4° | 125.6° |
| C11 | N12 | C23 | 125.8° | 125.6° |
| C16 | N12 | C23 | 112.7° | 108.7° |
| N12 | C16 | C17 | 113.4° | 109.9° |
| N12 | C16 | C21 | 103.2° | 107.3° |
| N12 | C16 | H16 | 111.2° | 109.9° |
| N12 | C23 | C22 | 104.4° | 104.7° |
| N12 | C23 | H23 | 111.2° | 110.4° |
| N12 | C23 | H23A | 111.2° | 110.4° |
| C17 | C16 | C21 | 109.9° | 109.9° |
| C16 | C17 | O18 | 122.6° | 120.0° |
| C16 | C17 | N19 | 116.4° | 120.0° |
| C17 | C16 | H16 | 104.7° | 109.9° |
| C16 | C21 | C22 | 104.5° | 103.0° |
| C21 | C16 | H16 | 114.7° | 110.0° |
| C16 | C21 | H21 | 111.2° | 110.7° |
| C16 | C21 | H21A | 111.1° | 110.7° |
| O18 | C17 | N19 | 121.0° | 120.0° |
| C17 | N19 | C20 | 122.8° | 120.0° |
| C17 | N19 | HN19 | 118.6° | 120.0° |
| N19 | C20 | C24 | 114.7° | 109.5° |
| C20 | N19 | HN19 | 118.6° | 120.0° |
| N19 | C20 | H20 | 107.8° | 109.4° |
| N19 | C20 | H20A | 107.8° | 109.5° |
| C20 | C24 | C25 | 122.0° | 120.0° |
| C20 | C24 | C31 | 118.6° | 120.0° |
| C24 | C20 | H20 | 107.8° | 109.5° |
| C24 | C20 | H20A | 107.8° | 109.5° |
| C21 | C22 | C23 | 105.1° | 101.5° |
| C22 | C21 | H21 | 111.2° | 110.8° |
| C22 | C21 | H21A | 111.1° | 110.7° |
| C21 | C22 | H22 | 110.9° | 111.0° |
| C21 | C22 | H22A | 111.0° | 111.0° |
| C23 | C22 | H22 | 111.0° | 111.2° |
| C23 | C22 | H22A | 110.9° | 110.9° |
| C22 | C23 | H23 | 111.2° | 110.5° |
| C22 | C23 | H23A | 111.2° | 110.4° |
| C25 | C24 | C31 | 119.5° | 120.0° |
| C24 | C25 | C26 | 121.1° | 120.0° |
| C24 | C25 | C27 | 120.9° | 120.0° |
| C24 | C31 | C29 | 119.0° | 120.0° |
| C24 | C31 | H31 | 120.5° | 120.0° |
| C26 | C25 | C27 | 118.0° | 120.0° |
| C25 | C26 | N32 | 108.9° | 109.4° |
| C25 | C26 | H26 | 109.6° | 109.4° |
| C25 | C26 | H26A | 109.7° | 109.5° |
| C25 | C27 | C28 | 120.1° | 120.0° |
| C25 | C27 | H27 | 120.0° | 120.0° |
| N32 | C26 | H26 | 109.6° | 109.5° |
| N32 | C26 | H26A | 109.6° | 109.5° |
| C26 | N32 | HN32 | 109.5° | 111.0° |
| C26 | N32 | HN3A | 109.5° | 111.0° |
| C27 | C28 | C29 | 118.2° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C27 | C28 | H28 | 120.9° | 120.0° |
| C28 | C29 | C31 | 122.5° | 120.0° |
| C29 | C28 | H28 | 120.9° | 120.0° |
| C29 | C31 | H31 | 120.5° | 120.0° |
| H7 | C7 | H7A | 110.5° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H20 | C20 | H20A | 111.1° | 109.5° |
| H21 | C21 | H21A | 107.7° | 110.7° |
| H22 | C22 | H22A | 108.0° | 110.9° |
| H23 | C23 | H23A | 107.7° | 110.5° |
| H26 | C26 | H26A | 109.3° | 109.5° |
| HN32 | N32 | HN3A | 109.5° | 111.0° |
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 | C30 | H2 | 180.0° | 180.0° |
| C1 | C2 | C30 | C4 | 0.5° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | C7 | 179.7° | 180.0° |
| C1 | C2 | C30 | H30 | 179.4° | 180.0° |
| C6 | C1 | C2 | C30 | 0.2° | 0.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | C7 | 179.5° | 180.0° |
| C1 | C6 | C7 | S8 | 107.4° | 90.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | H5 | 179.5° | 180.0° |
| C1 | C6 | C7 | H7 | 132.6° | 150.0° |
| C1 | C6 | C7 | H7A | 12.6° | 30.0° |
| C2 | C30 | C4 | C5 | 0.8° | 0.0° |
| C2 | C30 | C4 | H30 | 180.0° | 180.0° |
| C30 | C2 | C1 | H1 | 179.8° | 179.7° |
| C2 | C30 | C4 | H4 | 179.2° | 180.0° |
| CL3 | C29 | C31 | C24 | 179.6° | 179.7° |
| CL3 | C29 | C28 | C27 | 178.7° | 180.0° |
| CL3 | C29 | C28 | C31 | 179.4° | 179.8° |
| CL3 | C29 | C28 | H28 | 1.3° | 0.0° |
| CL3 | C29 | C31 | H31 | 0.4° | 0.1° |
| C5 | C4 | C30 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | C4 | C30 | H30 | 179.2° | 180.0° |
| C30 | C4 | C5 | C6 | 0.8° | 0.0° |
| C4 | C30 | C2 | H2 | 179.5° | 180.0° |
| C30 | C4 | C5 | H5 | 179.2° | 180.0° |
| C5 | C6 | C7 | S8 | 72.0° | 90.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 179.2° | 180.0° |
| C5 | C6 | C7 | H7 | 47.9° | 30.0° |
| C5 | C6 | C7 | H7A | 168.0° | 149.9° |
| C6 | C7 | S8 | H7 | 120.0° | 120.0° |
| C6 | C7 | S8 | H7A | 120.0° | 120.0° |
| C6 | C7 | S8 | N9 | 58.2° | 180.0° |
| C6 | C7 | S8 | O13 | 62.1° | 68.4° |
| C6 | C7 | S8 | O14 | 175.6° | 68.4° |
| C7 | C6 | C1 | H1 | 0.4° | 0.3° |
| C7 | C6 | C5 | H5 | 0.1° | 0.0° |
| C6 | C7 | H7 | H7A | 118.7° | 120.0° |
| C7 | S8 | N9 | O13 | 122.3° | 116.0° |
| C7 | S8 | N9 | O14 | 118.1° | 116.1° |
| C7 | S8 | O13 | O14 | 121.9° | 131.5° |
| C7 | S8 | N9 | C10 | 100.6° | 65.0° |
| S8 | C7 | H7 | H7A | 118.6° | 120.0° |
| C7 | S8 | N9 | HN9 | 139.4° | 115.0° |
| N9 | S8 | O13 | O14 | 118.5° | 116.8° |
| S8 | N9 | C10 | HN9 | 120.0° | 180.0° |
| S8 | N9 | C10 | C11 | 179.0° | 165.0° |
| N9 | S8 | C7 | H7 | 178.2° | 60.0° |
| N9 | S8 | C7 | H7A | 61.8° | 60.0° |
| S8 | N9 | C10 | H10 | 59.0° | 75.0° |
| S8 | N9 | C10 | H10A | 60.9° | 45.0° |
| O13 | S8 | N9 | C10 | 21.8° | 51.0° |
| O13 | S8 | C7 | H7 | 57.9° | 171.5° |
| O13 | S8 | C7 | H7A | 177.9° | 51.6° |
| O13 | S8 | N9 | HN9 | 98.2° | 129.0° |
| O14 | S8 | N9 | C10 | 141.4° | 178.9° |
| O14 | S8 | C7 | H7 | 64.4° | 51.7° |
| O14 | S8 | C7 | H7A | 55.6° | 171.6° |
| O14 | S8 | N9 | HN9 | 21.4° | 1.1° |
| N9 | C10 | C11 | H10 | 120.0° | 120.0° |
| N9 | C10 | C11 | H10A | 120.0° | 120.0° |
| N9 | C10 | C11 | N12 | 169.1° | 180.0° |
| N9 | C10 | C11 | O15 | 9.7° | 0.0° |
| N9 | C10 | H10 | H10A | 119.9° | 120.1° |
| C10 | C11 | N12 | O15 | 178.7° | 180.0° |
| C10 | C11 | N12 | C16 | 179.1° | 180.0° |
| C10 | C11 | N12 | C23 | 1.9° | 0.3° |
| C11 | C10 | N9 | HN9 | 60.9° | 15.0° |
| C11 | C10 | H10 | H10A | 119.9° | 120.0° |
| C11 | N12 | C16 | C23 | 177.5° | 179.7° |
| C11 | N12 | C16 | C17 | 42.9° | 59.6° |
| C11 | N12 | C16 | C21 | 161.8° | 179.0° |
| C11 | N12 | C23 | C22 | 178.8° | 155.9° |
| N12 | C11 | C10 | H10 | 49.1° | 60.0° |
| N12 | C11 | C10 | H10A | 70.9° | 59.9° |
| C11 | N12 | C16 | H16 | 74.8° | 61.5° |
| C11 | N12 | C23 | H23 | 58.8° | 85.3° |
| C11 | N12 | C23 | H23A | 61.2° | 37.1° |
| O15 | C11 | N12 | C16 | 2.2° | 0.0° |
| O15 | C11 | N12 | C23 | 179.4° | 179.7° |
| O15 | C11 | C10 | H10 | 129.7° | 120.0° |
| O15 | C11 | C10 | H10A | 110.3° | 120.0° |
| N12 | C16 | C17 | C21 | 114.9° | 117.8° |
| N12 | C16 | C17 | H16 | 121.4° | 121.0° |
| N12 | C16 | C21 | H16 | 121.1° | 119.5° |
| N12 | C16 | C17 | O18 | 46.5° | 0.0° |
| N12 | C16 | C17 | N19 | 132.8° | 180.0° |
| N12 | C16 | C21 | C22 | 28.7° | 22.2° |
| C16 | N12 | C23 | C22 | 3.8° | 24.4° |
| N12 | C16 | C21 | H21 | 91.3° | 140.6° |
| N12 | C16 | C21 | H21A | 148.7° | 96.2° |
| C16 | N12 | C23 | H23 | 123.8° | 94.4° |
| C16 | N12 | C23 | H23A | 116.2° | 143.2° |
| C23 | N12 | C16 | C17 | 134.6° | 120.7° |
| C23 | N12 | C16 | C21 | 15.7° | 1.3° |
| N12 | C23 | C22 | C21 | 22.0° | 37.3° |
| N12 | C23 | C22 | H23 | 120.0° | 118.8° |
| N12 | C23 | C22 | H23A | 120.0° | 118.8° |
| C23 | N12 | C16 | H16 | 107.7° | 118.3° |
| N12 | C23 | C22 | H22 | 142.0° | 80.8° |
| N12 | C23 | C22 | H22A | 98.0° | 155.3° |
| N12 | C23 | H23 | H23A | 122.0° | 122.3° |
| C17 | C16 | C21 | H16 | 117.6° | 121.1° |
| C16 | C17 | O18 | N19 | 179.3° | 180.0° |
| C16 | C17 | N19 | C20 | 179.1° | 180.0° |
| C17 | C16 | C21 | C22 | 150.0° | 97.2° |
| C16 | C17 | N19 | HN19 | 0.8° | 0.1° |
| C17 | C16 | C21 | H21 | 30.0° | 21.2° |
| C17 | C16 | C21 | H21A | 90.0° | 144.4° |
| C21 | C16 | C17 | O18 | 68.4° | 117.8° |
| C21 | C16 | C17 | N19 | 112.2° | 62.2° |
| C16 | C21 | C22 | H21 | 120.0° | 118.4° |
| C16 | C21 | C22 | H21A | 120.0° | 118.4° |
| C16 | C21 | C22 | C23 | 31.8° | 35.7° |
| C16 | C21 | H21 | H21A | 122.0° | 123.2° |
| C16 | C21 | C22 | H22 | 151.8° | 82.6° |
| C16 | C21 | C22 | H22A | 88.2° | 153.6° |
| O18 | C17 | N19 | C20 | 1.5° | 0.1° |
| O18 | C17 | C16 | H16 | 168.0° | 121.0° |
| O18 | C17 | N19 | HN19 | 178.5° | 180.0° |
| C17 | N19 | C20 | HN19 | 180.0° | 179.9° |
| C17 | N19 | C20 | C24 | 107.7° | 180.0° |
| N19 | C17 | C16 | H16 | 11.4° | 59.0° |
| C17 | N19 | C20 | H20 | 132.3° | 60.0° |
| C17 | N19 | C20 | H20A | 12.3° | 59.9° |
| N19 | C20 | C24 | H20 | 120.0° | 120.0° |
| N19 | C20 | C24 | H20A | 120.0° | 120.0° |
| N19 | C20 | C24 | C25 | 103.7° | 80.0° |
| N19 | C20 | C24 | C31 | 77.3° | 100.3° |
| N19 | C20 | H20 | H20A | 117.9° | 119.9° |
| C20 | C24 | C25 | C31 | 179.0° | 179.7° |
| C20 | C24 | C25 | C26 | 1.6° | 0.1° |
| C20 | C24 | C25 | C27 | 179.2° | 180.0° |
| C20 | C24 | C31 | C29 | 178.6° | 179.8° |
| C24 | C20 | N19 | HN19 | 72.3° | 0.1° |
| C24 | C20 | H20 | H20A | 117.8° | 120.1° |
| C20 | C24 | C31 | H31 | 1.4° | 0.0° |
| C21 | C22 | C23 | H22 | 120.0° | 118.1° |
| C21 | C22 | C23 | H22A | 120.0° | 118.0° |
| C22 | C21 | C16 | H16 | 92.4° | 141.7° |
| C22 | C21 | H21 | H21A | 122.0° | 123.2° |
| C21 | C22 | H22 | H22A | 121.8° | 123.9° |
| C21 | C22 | C23 | H23 | 142.0° | 81.5° |
| C21 | C22 | C23 | H23A | 98.0° | 156.0° |
| C23 | C22 | C21 | H21 | 88.2° | 154.1° |
| C23 | C22 | C21 | H21A | 151.8° | 82.7° |
| C23 | C22 | H22 | H22A | 121.8° | 123.9° |
| C22 | C23 | H23 | H23A | 122.1° | 122.4° |
| C24 | C25 | C26 | C27 | 179.1° | 179.9° |
| C24 | C25 | C26 | N32 | 103.7° | 80.0° |
| C24 | C25 | C27 | C28 | 1.2° | 0.0° |
| C25 | C24 | C31 | C29 | 0.4° | 0.5° |
| C25 | C24 | C20 | H20 | 136.3° | 39.9° |
| C25 | C24 | C20 | H20A | 16.4° | 160.0° |
| C24 | C25 | C26 | H26 | 136.4° | 160.0° |
| C24 | C25 | C26 | H26A | 16.3° | 39.9° |
| C24 | C25 | C27 | H27 | 178.9° | 180.0° |
| C25 | C24 | C31 | H31 | 179.6° | 179.7° |
| C31 | C24 | C25 | C26 | 179.4° | 179.8° |
| C31 | C24 | C25 | C27 | 0.3° | 0.3° |
| C24 | C31 | C29 | C28 | 0.2° | 0.5° |
| C24 | C31 | C29 | H31 | 180.0° | 179.8° |
| C31 | C24 | C20 | H20 | 42.7° | 139.7° |
| C31 | C24 | C20 | H20A | 162.6° | 19.7° |
| C25 | C26 | N32 | H26 | 120.0° | 120.0° |
| C25 | C26 | N32 | H26A | 120.0° | 120.0° |
| C26 | C25 | C27 | C28 | 179.7° | 180.0° |
| C25 | C26 | H26 | H26A | 120.2° | 120.0° |
| C26 | C25 | C27 | H27 | 0.3° | 0.1° |
| C25 | C26 | N32 | HN32 | 180.0° | 56.0° |
| C25 | C26 | N32 | HN3A | 60.0° | 180.0° |
| C27 | C25 | C26 | N32 | 75.5° | 100.0° |
| C25 | C27 | C28 | H27 | 180.0° | 179.9° |
| C25 | C27 | C28 | C29 | 1.4° | 0.0° |
| C27 | C25 | C26 | H26 | 44.5° | 19.9° |
| C27 | C25 | C26 | H26A | 164.5° | 140.0° |
| C25 | C27 | C28 | H28 | 178.6° | 180.0° |
| N32 | C26 | H26 | H26A | 120.2° | 120.1° |
| C26 | N32 | HN32 | HN3A | 120.0° | 124.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C31 | 0.7° | 0.3° |
| C29 | C28 | C27 | H27 | 178.7° | 180.0° |
| C28 | C29 | C31 | H31 | 179.8° | 179.7° |
| C31 | C29 | C28 | H28 | 179.3° | 179.8° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H2 | C2 | C30 | H30 | 0.5° | 0.0° |
| H4 | C4 | C5 | H5 | 0.8° | 0.0° |
| H4 | C4 | C30 | H30 | 0.8° | 0.0° |
| HN9 | N9 | C10 | H10 | 179.0° | 105.0° |
| HN9 | N9 | C10 | H10A | 59.1° | 135.0° |
| H16 | C16 | C21 | H21 | 147.6° | 99.9° |
| H16 | C16 | C21 | H21A | 27.6° | 23.3° |
| HN19 | N19 | C20 | H20 | 47.7° | 120.1° |
| HN19 | N19 | C20 | H20A | 167.7° | 120.0° |
| H21 | C21 | C22 | H22 | 31.8° | 35.8° |
| H21 | C21 | C22 | H22A | 151.8° | 88.0° |
| H21A | C21 | C22 | H22 | 88.2° | 159.0° |
| H21A | C21 | C22 | H22A | 31.8° | 35.2° |
| H22 | C22 | C23 | H23 | 98.0° | 160.4° |
| H22 | C22 | C23 | H23A | 22.0° | 37.9° |
| H22A | C22 | C23 | H23 | 22.0° | 36.5° |
| H22A | C22 | C23 | H23A | 142.0° | 85.9° |
| H26 | C26 | N32 | HN32 | 60.0° | 63.9° |
| H26 | C26 | N32 | HN3A | 180.0° | 60.0° |
| H26A | C26 | N32 | HN32 | 60.0° | 176.0° |
| H26A | C26 | N32 | HN3A | 60.0° | 60.0° |
| H27 | C27 | C28 | H28 | 1.4° | 0.1° |
