P78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S2 | sing | 1.75Å | 1.79Å | Aromatic |
| C1 | C5 | doub | 1.33Å | 1.46Å | Aromatic |
| C1 | C6 | sing | 1.51Å | 1.46Å | |
| O1 | S1 | doub | 1.42Å | 1.75Å | |
| S1 | C28 | sing | 1.82Å | 1.82Å | |
| S1 | C31 | sing | 1.82Å | 1.81Å | |
| S1 | O33 | doub | 1.42Å | 1.76Å | |
| C2 | C14 | doub | 1.36Å | 1.46Å | Aromatic |
| C2 | C20 | sing | 1.41Å | 1.46Å | Aromatic |
| S2 | C3 | sing | 1.70Å | 1.79Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.46Å | Aromatic |
| C3 | N12 | sing | 1.39Å | 1.43Å | |
| C4 | C5 | sing | 1.45Å | 1.45Å | Aromatic |
| C4 | C10 | sing | 1.47Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.48Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | C9 | sing | 1.53Å | 1.49Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C10 | N26 | sing | 1.35Å | 1.33Å | |
| C11 | C12 | doub | 1.36Å | 1.47Å | Aromatic |
| C11 | C19 | sing | 1.41Å | 1.47Å | Aromatic |
| C12 | C14 | sing | 1.39Å | 1.46Å | Aromatic |
| N12 | C13 | sing | 1.35Å | 1.33Å | |
| C13 | O14 | doub | 1.22Å | 1.24Å | |
| C13 | N15 | sing | 1.35Å | 1.34Å | |
| N15 | C16 | sing | 1.40Å | 1.42Å | |
| C16 | C17 | doub | 1.40Å | 1.46Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.47Å | Aromatic |
| C17 | C18 | sing | 1.36Å | 1.46Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.47Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.46Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.46Å | Aromatic |
| N26 | C27 | sing | 1.46Å | 1.48Å | |
| N26 | C32 | sing | 1.46Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | 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 | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S2 | C1 | C5 | 109.4° | 110.8° |
| S2 | C1 | C6 | 122.7° | 124.6° |
| C1 | S2 | C3 | 96.5° | 92.5° |
| C5 | C1 | C6 | 127.8° | 124.6° |
| C1 | C5 | C4 | 110.9° | 113.1° |
| C1 | C5 | H5 | 124.6° | 123.5° |
| C1 | C6 | C7 | 107.0° | 109.5° |
| C1 | C6 | C8 | 113.2° | 109.4° |
| C1 | C6 | C9 | 112.0° | 109.5° |
| O1 | S1 | C28 | 111.4° | 108.6° |
| O1 | S1 | C31 | 108.8° | 108.7° |
| O1 | S1 | O33 | 120.2° | 119.3° |
| C28 | S1 | C31 | 103.2° | 101.4° |
| C28 | S1 | O33 | 103.9° | 108.7° |
| S1 | C28 | C27 | 112.4° | 109.0° |
| S1 | C28 | H28 | 108.5° | 109.5° |
| S1 | C28 | H28A | 108.5° | 109.6° |
| C31 | S1 | O33 | 108.0° | 108.8° |
| S1 | C31 | C32 | 112.3° | 109.0° |
| S1 | C31 | H31 | 108.5° | 109.5° |
| S1 | C31 | H31A | 108.5° | 109.5° |
| C14 | C2 | C20 | 120.7° | 119.7° |
| C2 | C14 | C12 | 119.1° | 121.0° |
| C14 | C2 | H2 | 119.6° | 120.2° |
| C2 | C14 | H14 | 120.5° | 119.5° |
| C2 | C20 | C19 | 120.3° | 119.3° |
| C2 | C20 | C21 | 120.5° | 121.2° |
| C20 | C2 | H2 | 119.6° | 120.1° |
| S2 | C3 | C4 | 104.9° | 110.7° |
| S2 | C3 | N12 | 132.3° | 124.7° |
| C4 | C3 | N12 | 122.8° | 124.6° |
| C3 | C4 | C5 | 118.4° | 112.8° |
| C3 | C4 | C10 | 115.4° | 123.6° |
| C3 | N12 | C13 | 120.8° | 120.0° |
| C3 | N12 | HN12 | 119.6° | 120.0° |
| C5 | C4 | C10 | 125.8° | 123.6° |
| C4 | C5 | H5 | 124.6° | 123.4° |
| C4 | C10 | O11 | 120.2° | 120.0° |
| C4 | C10 | N26 | 121.4° | 120.0° |
| C7 | C6 | C8 | 112.8° | 109.5° |
| C7 | C6 | C9 | 102.2° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C6 | C7 | H7B | 109.5° | 109.5° |
| C8 | C6 | C9 | 109.1° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H8A | 109.5° | 109.4° |
| C6 | C8 | H8B | 109.5° | 109.5° |
| C6 | C9 | H9 | 109.5° | 109.5° |
| C6 | C9 | H9A | 109.5° | 109.4° |
| C6 | C9 | H9B | 109.5° | 109.4° |
| O11 | C10 | N26 | 118.5° | 120.1° |
| C10 | N26 | C27 | 120.8° | 119.6° |
| C10 | N26 | C32 | 114.3° | 119.7° |
| C12 | C11 | C19 | 120.2° | 119.7° |
| C11 | C12 | C14 | 120.5° | 121.0° |
| C12 | C11 | H11 | 119.9° | 120.2° |
| C11 | C12 | H12 | 119.7° | 119.5° |
| C11 | C19 | C18 | 120.1° | 121.1° |
| C11 | C19 | C20 | 119.1° | 119.3° |
| C19 | C11 | H11 | 119.9° | 120.2° |
| C14 | C12 | H12 | 119.7° | 119.5° |
| C12 | C14 | H14 | 120.4° | 119.5° |
| N12 | C13 | O14 | 120.2° | 120.0° |
| N12 | C13 | N15 | 118.8° | 120.0° |
| C13 | N12 | HN12 | 119.6° | 120.0° |
| O14 | C13 | N15 | 120.9° | 120.0° |
| C13 | N15 | C16 | 123.0° | 120.0° |
| C13 | N15 | HN15 | 118.5° | 120.1° |
| N15 | C16 | C17 | 123.9° | 119.6° |
| N15 | C16 | C21 | 115.3° | 119.7° |
| C16 | N15 | HN15 | 118.5° | 120.0° |
| C17 | C16 | C21 | 120.3° | 120.7° |
| C16 | C17 | C18 | 119.6° | 120.9° |
| C16 | C17 | H17 | 120.2° | 119.6° |
| C16 | C21 | C20 | 120.3° | 119.5° |
| C16 | C21 | H21 | 119.9° | 120.3° |
| C17 | C18 | C19 | 119.9° | 119.9° |
| C18 | C17 | H17 | 120.2° | 119.5° |
| C17 | C18 | H18 | 120.0° | 120.1° |
| C18 | C19 | C20 | 120.7° | 119.6° |
| C19 | C18 | H18 | 120.1° | 120.1° |
| C19 | C20 | C21 | 119.1° | 119.4° |
| C20 | C21 | H21 | 119.9° | 120.2° |
| C27 | N26 | C32 | 120.5° | 120.7° |
| N26 | C27 | C28 | 110.7° | 109.5° |
| N26 | C27 | H27 | 109.0° | 109.4° |
| N26 | C27 | H27A | 109.1° | 109.5° |
| N26 | C32 | C31 | 110.4° | 109.5° |
| N26 | C32 | H32 | 109.1° | 109.6° |
| N26 | C32 | H32A | 109.1° | 109.5° |
| C28 | C27 | H27 | 109.1° | 109.5° |
| C28 | C27 | H27A | 109.1° | 109.5° |
| C27 | C28 | H28 | 108.5° | 109.6° |
| C27 | C28 | H28A | 108.5° | 109.6° |
| C32 | C31 | H31 | 108.6° | 109.6° |
| C32 | C31 | H31A | 108.6° | 109.6° |
| C31 | C32 | H32 | 109.2° | 109.4° |
| C31 | C32 | H32A | 109.1° | 109.4° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.4° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.6° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.9° | 109.5° |
| H28 | C28 | H28A | 110.4° | 109.6° |
| H31 | C31 | H31A | 110.4° | 109.7° |
| H32 | C32 | H32A | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S2 | C1 | C5 | C6 | 179.8° | 179.8° |
| C1 | S2 | C3 | C4 | 1.0° | 0.1° |
| C1 | S2 | C3 | N12 | 176.9° | 180.0° |
| S2 | C1 | C5 | C4 | 0.8° | 0.0° |
| S2 | C1 | C6 | C7 | 81.0° | 120.0° |
| S2 | C1 | C6 | C8 | 154.1° | 0.1° |
| S2 | C1 | C6 | C9 | 30.2° | 120.0° |
| S2 | C1 | C5 | H5 | 179.2° | 180.0° |
| C5 | C1 | S2 | C3 | 0.1° | 0.1° |
| C1 | C5 | C4 | C3 | 1.7° | 0.0° |
| C1 | C5 | C4 | H5 | 180.0° | 179.9° |
| C1 | C5 | C4 | C10 | 170.1° | 180.0° |
| C5 | C1 | C6 | C7 | 99.2° | 59.8° |
| C5 | C1 | C6 | C8 | 25.6° | 179.7° |
| C5 | C1 | C6 | C9 | 149.6° | 60.2° |
| C6 | C1 | S2 | C3 | 179.7° | 179.8° |
| C6 | C1 | C5 | C4 | 179.4° | 179.8° |
| C1 | C6 | C7 | C8 | 125.1° | 119.9° |
| C1 | C6 | C7 | C9 | 117.9° | 120.0° |
| C1 | C6 | C8 | C9 | 125.5° | 120.0° |
| C6 | C1 | C5 | H5 | 0.6° | 0.2° |
| C1 | C6 | C7 | H7 | 180.0° | 59.9° |
| C1 | C6 | C7 | H7A | 60.0° | 180.0° |
| C1 | C6 | C7 | H7B | 60.0° | 60.0° |
| C1 | C6 | C8 | H8 | 180.0° | 60.1° |
| C1 | C6 | C8 | H8A | 60.0° | 180.0° |
| C1 | C6 | C8 | H8B | 60.0° | 60.0° |
| C1 | C6 | C9 | H9 | 180.0° | 60.0° |
| C1 | C6 | C9 | H9A | 60.0° | 180.0° |
| C1 | C6 | C9 | H9B | 60.0° | 60.1° |
| O1 | S1 | C28 | C31 | 116.6° | 114.4° |
| O1 | S1 | C28 | O33 | 130.8° | 131.2° |
| O1 | S1 | C31 | O33 | 132.0° | 131.3° |
| O1 | S1 | C28 | C27 | 163.6° | 58.8° |
| O1 | S1 | C31 | C32 | 166.5° | 58.8° |
| O1 | S1 | C28 | H28 | 76.3° | 178.7° |
| O1 | S1 | C28 | H28A | 43.6° | 61.1° |
| O1 | S1 | C31 | H31 | 46.5° | 61.1° |
| O1 | S1 | C31 | H31A | 73.5° | 178.6° |
| C28 | S1 | C31 | O33 | 109.6° | 114.4° |
| S1 | C28 | C27 | N26 | 52.6° | 58.2° |
| S1 | C28 | C27 | H28 | 120.0° | 119.8° |
| S1 | C28 | C27 | H28A | 120.0° | 119.9° |
| C28 | S1 | C31 | C32 | 48.1° | 55.5° |
| S1 | C28 | C27 | H27 | 172.6° | 61.7° |
| S1 | C28 | C27 | H27A | 67.4° | 178.3° |
| S1 | C28 | H28 | H28A | 118.8° | 120.2° |
| C28 | S1 | C31 | H31 | 71.9° | 175.4° |
| C28 | S1 | C31 | H31A | 168.1° | 64.3° |
| S1 | C31 | C32 | N26 | 54.5° | 58.2° |
| C31 | S1 | C28 | C27 | 47.1° | 55.5° |
| S1 | C31 | C32 | H31 | 120.0° | 119.8° |
| S1 | C31 | C32 | H31A | 120.0° | 119.8° |
| C31 | S1 | C28 | H28 | 167.1° | 64.3° |
| C31 | S1 | C28 | H28A | 73.0° | 175.4° |
| S1 | C31 | H31 | H31A | 118.8° | 120.2° |
| S1 | C31 | C32 | H32 | 65.4° | 178.3° |
| S1 | C31 | C32 | H32A | 174.5° | 61.8° |
| O33 | S1 | C28 | C27 | 65.6° | 170.0° |
| O33 | S1 | C31 | C32 | 61.4° | 169.9° |
| O33 | S1 | C28 | H28 | 54.5° | 50.2° |
| O33 | S1 | C28 | H28A | 174.4° | 70.1° |
| O33 | S1 | C31 | H31 | 178.5° | 70.2° |
| O33 | S1 | C31 | H31A | 58.6° | 50.1° |
| C14 | C2 | C20 | H2 | 180.0° | 179.8° |
| C2 | C14 | C12 | C11 | 0.6° | 0.0° |
| C2 | C14 | C12 | H14 | 180.0° | 179.9° |
| C14 | C2 | C20 | C19 | 0.0° | 0.0° |
| C14 | C2 | C20 | C21 | 177.1° | 179.9° |
| C2 | C14 | C12 | H12 | 179.4° | 180.0° |
| C2 | C20 | C19 | C11 | 1.6° | 0.1° |
| C20 | C2 | C14 | C12 | 1.1° | 0.0° |
| C2 | C20 | C21 | C16 | 176.3° | 180.0° |
| C2 | C20 | C19 | C18 | 174.9° | 180.0° |
| C2 | C20 | C19 | C21 | 177.2° | 179.9° |
| C20 | C2 | C14 | H14 | 178.9° | 180.0° |
| C2 | C20 | C21 | H21 | 3.7° | 0.0° |
| S2 | C3 | C4 | N12 | 178.1° | 179.9° |
| S2 | C3 | C4 | C5 | 1.7° | 0.1° |
| S2 | C3 | C4 | C10 | 170.9° | 180.0° |
| S2 | C3 | N12 | C13 | 16.3° | 0.1° |
| S2 | C3 | N12 | HN12 | 163.7° | 179.9° |
| C3 | C4 | C5 | C10 | 171.7° | 180.0° |
| C3 | C4 | C10 | O11 | 25.1° | 49.6° |
| C3 | C4 | C10 | N26 | 154.8° | 130.4° |
| C4 | C3 | N12 | C13 | 161.2° | 180.0° |
| C3 | C4 | C5 | H5 | 178.3° | 179.9° |
| C4 | C3 | N12 | HN12 | 18.8° | 0.0° |
| N12 | C3 | C4 | C5 | 176.5° | 180.0° |
| N12 | C3 | C4 | C10 | 11.0° | 0.1° |
| C3 | N12 | C13 | HN12 | 180.0° | 180.0° |
| C3 | N12 | C13 | O14 | 2.7° | 0.0° |
| C3 | N12 | C13 | N15 | 177.3° | 180.0° |
| C5 | C4 | C10 | O11 | 146.8° | 130.4° |
| C5 | C4 | C10 | N26 | 33.3° | 49.6° |
| C4 | C10 | O11 | N26 | 179.9° | 180.0° |
| C4 | C10 | N26 | C27 | 36.2° | 174.6° |
| C4 | C10 | N26 | C32 | 167.1° | 5.4° |
| C10 | C4 | C5 | H5 | 10.0° | 0.0° |
| C7 | C6 | C8 | C9 | 112.8° | 120.0° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | C6 | C8 | H8 | 58.4° | 180.0° |
| C7 | C6 | C8 | H8A | 61.6° | 60.0° |
| C7 | C6 | C8 | H8B | 178.3° | 60.0° |
| C7 | C6 | C9 | H9 | 65.8° | 60.0° |
| C7 | C6 | C9 | H9A | 174.2° | 60.0° |
| C7 | C6 | C9 | H9B | 54.2° | 179.9° |
| C8 | C6 | C7 | H7 | 54.9° | 60.0° |
| C8 | C6 | C7 | H7A | 174.9° | 60.0° |
| C8 | C6 | C7 | H7B | 65.1° | 180.0° |
| C6 | C8 | H8 | H8A | 120.0° | 119.9° |
| C6 | C8 | H8 | H8B | 120.0° | 120.1° |
| C6 | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | C6 | C9 | H9 | 53.8° | 180.0° |
| C8 | C6 | C9 | H9A | 66.2° | 60.0° |
| C8 | C6 | C9 | H9B | 173.8° | 59.9° |
| C9 | C6 | C7 | H7 | 62.1° | 179.9° |
| C9 | C6 | C7 | H7A | 57.9° | 60.0° |
| C9 | C6 | C7 | H7B | 177.9° | 60.0° |
| C9 | C6 | C8 | H8 | 54.5° | 60.0° |
| C9 | C6 | C8 | H8A | 174.5° | 60.0° |
| C9 | C6 | C8 | H8B | 65.5° | 180.0° |
| C6 | C9 | H9 | H9A | 120.0° | 119.9° |
| C6 | C9 | H9 | H9B | 120.0° | 120.0° |
| C6 | C9 | H9A | H9B | 120.0° | 119.9° |
| O11 | C10 | N26 | C27 | 143.7° | 5.4° |
| O11 | C10 | N26 | C32 | 13.0° | 174.6° |
| C10 | N26 | C27 | C32 | 155.3° | 180.0° |
| C10 | N26 | C27 | C28 | 93.5° | 115.7° |
| C10 | N26 | C32 | C31 | 93.9° | 115.7° |
| C10 | N26 | C27 | H27 | 26.5° | 124.3° |
| C10 | N26 | C27 | H27A | 146.5° | 4.3° |
| C10 | N26 | C32 | H32 | 146.1° | 4.3° |
| C10 | N26 | C32 | H32A | 26.1° | 124.3° |
| C12 | C11 | C19 | H11 | 180.0° | 179.9° |
| C11 | C12 | C14 | H12 | 180.0° | 180.0° |
| C12 | C11 | C19 | C18 | 174.4° | 180.0° |
| C12 | C11 | C19 | C20 | 2.0° | 0.1° |
| C11 | C12 | C14 | H14 | 179.4° | 180.0° |
| C19 | C11 | C12 | C14 | 1.0° | 0.0° |
| C11 | C19 | C18 | C17 | 178.1° | 180.0° |
| C11 | C19 | C18 | C20 | 176.4° | 180.0° |
| C11 | C19 | C20 | C21 | 178.7° | 180.0° |
| C19 | C11 | C12 | H12 | 179.0° | 180.0° |
| C11 | C19 | C18 | H18 | 1.9° | 0.0° |
| C12 | C14 | C2 | H2 | 178.9° | 179.7° |
| C14 | C12 | C11 | H11 | 179.0° | 179.9° |
| N12 | C13 | O14 | N15 | 180.0° | 180.0° |
| N12 | C13 | N15 | C16 | 173.7° | 174.9° |
| N12 | C13 | N15 | HN15 | 6.3° | 5.2° |
| O14 | C13 | N15 | C16 | 6.3° | 5.1° |
| O14 | C13 | N12 | HN12 | 177.4° | 180.0° |
| O14 | C13 | N15 | HN15 | 173.8° | 174.8° |
| C13 | N15 | C16 | HN15 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 65.0° | 33.8° |
| C13 | N15 | C16 | C21 | 122.9° | 146.2° |
| N15 | C13 | N12 | HN12 | 2.7° | 0.0° |
| N15 | C16 | C17 | C21 | 171.7° | 180.0° |
| N15 | C16 | C17 | C18 | 169.9° | 180.0° |
| N15 | C16 | C21 | C20 | 171.2° | 180.0° |
| N15 | C16 | C17 | H17 | 10.1° | 0.0° |
| N15 | C16 | C21 | H21 | 8.8° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C16 | C21 | C20 | 1.2° | 0.0° |
| C17 | C16 | N15 | HN15 | 115.0° | 146.2° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C17 | C16 | C21 | H21 | 178.8° | 180.0° |
| C21 | C16 | C17 | C18 | 1.8° | 0.0° |
| C16 | C21 | C20 | C19 | 0.8° | 0.1° |
| C16 | C21 | C20 | H21 | 180.0° | 180.0° |
| C21 | C16 | N15 | HN15 | 57.0° | 33.8° |
| C21 | C16 | C17 | H17 | 178.2° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.7° | 0.0° |
| C18 | C19 | C20 | C21 | 2.3° | 0.1° |
| C18 | C19 | C11 | H11 | 5.6° | 0.1° |
| C19 | C18 | C17 | H17 | 179.6° | 180.0° |
| C19 | C20 | C2 | H2 | 180.0° | 179.8° |
| C20 | C19 | C11 | H11 | 178.0° | 180.0° |
| C20 | C19 | C18 | H18 | 178.3° | 180.0° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C21 | C20 | C2 | H2 | 2.9° | 0.3° |
| N26 | C27 | C28 | H27 | 120.0° | 120.0° |
| N26 | C27 | C28 | H27A | 120.0° | 120.1° |
| C27 | N26 | C32 | C31 | 62.9° | 64.3° |
| N26 | C27 | H27 | H27A | 119.5° | 120.0° |
| N26 | C27 | C28 | H28 | 172.6° | 61.6° |
| N26 | C27 | C28 | H28A | 67.4° | 178.1° |
| C27 | N26 | C32 | H32 | 57.1° | 175.7° |
| C27 | N26 | C32 | H32A | 177.2° | 55.7° |
| C32 | N26 | C27 | C28 | 61.8° | 64.3° |
| N26 | C32 | C31 | H32 | 120.0° | 120.1° |
| N26 | C32 | C31 | H32A | 120.0° | 120.0° |
| C32 | N26 | C27 | H27 | 178.2° | 55.7° |
| C32 | N26 | C27 | H27A | 58.2° | 175.7° |
| N26 | C32 | C31 | H31 | 65.4° | 178.1° |
| N26 | C32 | C31 | H31A | 174.5° | 61.6° |
| N26 | C32 | H32 | H32A | 119.6° | 120.0° |
| C28 | C27 | H27 | H27A | 119.5° | 120.0° |
| C27 | C28 | H28 | H28A | 118.8° | 120.3° |
| C32 | C31 | H31 | H31A | 118.9° | 120.3° |
| C31 | C32 | H32 | H32A | 119.6° | 119.9° |
| H2 | C2 | C14 | H14 | 1.1° | 0.2° |
| H7 | C7 | H7A | H7B | 120.0° | 119.9° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.1° |
| H11 | C11 | C12 | H12 | 1.0° | 0.1° |
| H12 | C12 | C14 | H14 | 0.6° | 0.1° |
| H17 | C17 | C18 | H18 | 0.4° | 0.0° |
| H27 | C27 | C28 | H28 | 67.4° | 178.4° |
| H27 | C27 | C28 | H28A | 52.6° | 58.1° |
| H27A | C27 | C28 | H28 | 52.6° | 58.4° |
| H27A | C27 | C28 | H28A | 172.6° | 61.9° |
| H31 | C31 | C32 | H32 | 174.6° | 61.9° |
| H31 | C31 | C32 | H32A | 54.5° | 58.0° |
| H31A | C31 | C32 | H32 | 54.6° | 58.5° |
| H31A | C31 | C32 | H32A | 65.5° | 178.4° |
