5P8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | N26 | sing | 1.47Å | 1.47Å | |
| O30 | C27 | doub | 1.23Å | 1.24Å | |
| C25 | N20 | sing | 1.46Å | 1.45Å | |
| N26 | C27 | sing | 1.35Å | 1.44Å | |
| N26 | C28 | sing | 1.49Å | 1.52Å | |
| N21 | N20 | sing | 1.39Å | 1.33Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.33Å | Aromatic |
| N20 | C19 | sing | 1.37Å | 1.38Å | Aromatic |
| C27 | C11 | sing | 1.45Å | 1.50Å | |
| C19 | C23 | sing | 1.43Å | 1.44Å | |
| C19 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C28 | sing | 1.50Å | 1.52Å | |
| C22 | C18 | sing | 1.41Å | 1.47Å | Aromatic |
| C23 | N24 | trip | 1.14Å | 1.16Å | |
| C18 | C5 | sing | 1.48Å | 1.50Å | |
| C11 | C12 | doub | 1.41Å | 1.44Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.46Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.50Å | 1.55Å | |
| C8 | O7 | sing | 1.43Å | 1.46Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.41Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| O7 | C1 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.38Å | Aromatic |
| C2 | N17 | sing | 1.39Å | 1.41Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | F16 | sing | 1.35Å | 1.33Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.07Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| N17 | H18 | sing | 0.97Å | 1.00Å | |
| N17 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N26 | C27 | 116.0° | 124.0° |
| C29 | N26 | C28 | 117.6° | 122.9° |
| N26 | C29 | H15 | 109.5° | 109.5° |
| N26 | C29 | H16 | 109.5° | 109.4° |
| N26 | C29 | H17 | 109.5° | 109.5° |
| O30 | C27 | N26 | 124.4° | 113.9° |
| O30 | C27 | C11 | 113.9° | 112.2° |
| C25 | N20 | N21 | 118.0° | 126.7° |
| C25 | N20 | C19 | 127.6° | 125.6° |
| N20 | C25 | H12 | 109.5° | 109.5° |
| N20 | C25 | H13 | 109.5° | 109.5° |
| N20 | C25 | H14 | 109.5° | 109.5° |
| C27 | N26 | C28 | 126.4° | 113.1° |
| N26 | C27 | C11 | 121.7° | 133.9° |
| N26 | C28 | C22 | 116.1° | 114.8° |
| N26 | C28 | H6 | 107.8° | 110.6° |
| N26 | C28 | H7 | 107.8° | 107.4° |
| N20 | N21 | C22 | 105.1° | 109.3° |
| N21 | N20 | C19 | 114.4° | 107.7° |
| N21 | C22 | C28 | 115.9° | 121.5° |
| N21 | C22 | C18 | 112.0° | 108.4° |
| N20 | C19 | C23 | 122.9° | 123.3° |
| N20 | C19 | C18 | 105.7° | 107.5° |
| C27 | C11 | C12 | 116.1° | 116.1° |
| C27 | C11 | C10 | 123.3° | 125.7° |
| C23 | C19 | C18 | 131.4° | 129.2° |
| C19 | C23 | N24 | 177.8° | 179.9° |
| C19 | C18 | C22 | 102.8° | 107.0° |
| C19 | C18 | C5 | 128.3° | 128.7° |
| C28 | C22 | C18 | 132.1° | 130.1° |
| C22 | C28 | H6 | 107.8° | 109.0° |
| C22 | C28 | H7 | 107.8° | 107.6° |
| C22 | C18 | C5 | 128.9° | 124.3° |
| C18 | C5 | C6 | 119.7° | 116.9° |
| C18 | C5 | C4 | 126.5° | 125.5° |
| C12 | C11 | C10 | 120.6° | 118.2° |
| C11 | C12 | C13 | 120.2° | 121.7° |
| C11 | C12 | H1 | 119.9° | 119.0° |
| C11 | C10 | C8 | 124.0° | 124.7° |
| C11 | C10 | C15 | 116.9° | 119.4° |
| C9 | C8 | C10 | 111.9° | 109.8° |
| C9 | C8 | O7 | 105.8° | 111.9° |
| C9 | C8 | H8 | 108.6° | 107.3° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.4° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C10 | C8 | O7 | 112.2° | 112.7° |
| C8 | C10 | C15 | 119.0° | 115.9° |
| C10 | C8 | H8 | 108.5° | 107.3° |
| C8 | O7 | C1 | 122.3° | 114.6° |
| O7 | C8 | H8 | 109.8° | 107.6° |
| C5 | C6 | C1 | 124.9° | 119.8° |
| C6 | C5 | C4 | 113.8° | 117.6° |
| C5 | C6 | H3 | 117.6° | 121.3° |
| C6 | C1 | O7 | 125.9° | 115.8° |
| C6 | C1 | C2 | 116.7° | 118.9° |
| C1 | C6 | H3 | 117.6° | 118.8° |
| C5 | C4 | N3 | 124.2° | 120.8° |
| C5 | C4 | H5 | 117.9° | 122.1° |
| C12 | C13 | C14 | 119.7° | 119.7° |
| C13 | C12 | H1 | 119.9° | 119.3° |
| C12 | C13 | H2 | 120.2° | 120.4° |
| C10 | C15 | C14 | 121.0° | 121.7° |
| C10 | C15 | H4 | 119.5° | 118.7° |
| O7 | C1 | C2 | 117.4° | 125.2° |
| C1 | C2 | N3 | 121.2° | 119.7° |
| C1 | C2 | N17 | 119.7° | 120.3° |
| C4 | N3 | C2 | 119.3° | 122.9° |
| N3 | C4 | H5 | 117.9° | 117.1° |
| N3 | C2 | N17 | 119.1° | 119.9° |
| C2 | N17 | H18 | 109.5° | 120.0° |
| C2 | N17 | H19 | 109.4° | 120.0° |
| C13 | C14 | C15 | 121.6° | 119.4° |
| C13 | C14 | F16 | 119.2° | 120.2° |
| C14 | C13 | H2 | 120.1° | 119.9° |
| C15 | C14 | F16 | 119.2° | 120.4° |
| C14 | C15 | H4 | 119.5° | 119.7° |
| H6 | C28 | H7 | 109.4° | 107.1° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H9 | C9 | H11 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.4° |
| H12 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.4° |
| H15 | C29 | H17 | 109.4° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.4° |
| H18 | N17 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N26 | C27 | O30 | 0.2° | 178.5° |
| C29 | N26 | C27 | C28 | 179.6° | 178.8° |
| C29 | N26 | C27 | C11 | 179.7° | 0.5° |
| C29 | N26 | C28 | C22 | 46.6° | 39.4° |
| C29 | N26 | C28 | H6 | 167.6° | 163.3° |
| C29 | N26 | C28 | H7 | 74.4° | 80.1° |
| N26 | C29 | H15 | H16 | 120.0° | 119.9° |
| N26 | C29 | H15 | H17 | 120.0° | 120.1° |
| N26 | C29 | H16 | H17 | 120.0° | 120.0° |
| O30 | C27 | N26 | C11 | 179.9° | 178.0° |
| O30 | C27 | N26 | C28 | 179.8° | 0.3° |
| O30 | C27 | C11 | C12 | 110.5° | 85.8° |
| O30 | C27 | C11 | C10 | 69.3° | 91.8° |
| C25 | N20 | N21 | C19 | 179.9° | 179.8° |
| C25 | N20 | N21 | C22 | 179.9° | 179.6° |
| C25 | N20 | C19 | C23 | 0.1° | 1.5° |
| C25 | N20 | C19 | C18 | 179.7° | 177.5° |
| N20 | C25 | H12 | H13 | 120.0° | 120.0° |
| N20 | C25 | H12 | H14 | 120.0° | 120.0° |
| N20 | C25 | H13 | H14 | 120.0° | 120.0° |
| C27 | N26 | C28 | C22 | 133.8° | 141.8° |
| N26 | C27 | C11 | C12 | 69.5° | 92.2° |
| N26 | C27 | C11 | C10 | 110.7° | 90.1° |
| C27 | N26 | C28 | H6 | 12.8° | 17.9° |
| C27 | N26 | C28 | H7 | 105.2° | 98.6° |
| C27 | N26 | C29 | H15 | 180.0° | 0.1° |
| C27 | N26 | C29 | H16 | 60.0° | 120.0° |
| C27 | N26 | C29 | H17 | 60.0° | 120.0° |
| N26 | C28 | C22 | N21 | 96.9° | 110.9° |
| C28 | N26 | C27 | C11 | 0.1° | 178.3° |
| N26 | C28 | C22 | H6 | 121.0° | 124.8° |
| N26 | C28 | C22 | H7 | 121.0° | 119.4° |
| N26 | C28 | C22 | C18 | 83.2° | 69.5° |
| N26 | C28 | H6 | H7 | 117.0° | 116.7° |
| C28 | N26 | C29 | H15 | 0.4° | 178.6° |
| C28 | N26 | C29 | H16 | 119.7° | 58.6° |
| C28 | N26 | C29 | H17 | 120.3° | 61.3° |
| N21 | N20 | C19 | C23 | 180.0° | 178.4° |
| N21 | N20 | C19 | C18 | 0.2° | 2.7° |
| N20 | N21 | C22 | C28 | 180.0° | 177.9° |
| N20 | N21 | C22 | C18 | 0.1° | 1.8° |
| N21 | N20 | C25 | H12 | 0.0° | 90.1° |
| N21 | N20 | C25 | H13 | 120.0° | 150.0° |
| N21 | N20 | C25 | H14 | 120.0° | 30.0° |
| C22 | N21 | N20 | C19 | 0.1° | 0.5° |
| N21 | C22 | C18 | C19 | 0.2° | 3.5° |
| N21 | C22 | C28 | C18 | 179.8° | 179.6° |
| N21 | C22 | C18 | C5 | 179.6° | 176.2° |
| N21 | C22 | C28 | H6 | 142.1° | 124.3° |
| N21 | C22 | C28 | H7 | 24.0° | 8.5° |
| N20 | C19 | C23 | C18 | 179.8° | 178.7° |
| N20 | C19 | C18 | C22 | 0.2° | 3.7° |
| N20 | C19 | C23 | N24 | 59.7° | 50.2° |
| N20 | C19 | C18 | C5 | 179.6° | 175.9° |
| C19 | N20 | C25 | H12 | 179.9° | 89.8° |
| C19 | N20 | C25 | H13 | 60.1° | 30.2° |
| C19 | N20 | C25 | H14 | 59.9° | 150.2° |
| C27 | C11 | C12 | C10 | 179.8° | 177.9° |
| C27 | C11 | C10 | C8 | 0.5° | 4.2° |
| C27 | C11 | C12 | C13 | 180.0° | 176.4° |
| C27 | C11 | C10 | C15 | 180.0° | 176.4° |
| C27 | C11 | C12 | H1 | 0.0° | 3.5° |
| C23 | C19 | C18 | C22 | 180.0° | 177.4° |
| C23 | C19 | C18 | C5 | 0.2° | 3.0° |
| C19 | C18 | C22 | C28 | 179.9° | 176.2° |
| C19 | C18 | C22 | C5 | 179.8° | 179.6° |
| C18 | C19 | C23 | N24 | 120.5° | 131.1° |
| C19 | C18 | C5 | C6 | 152.8° | 176.9° |
| C19 | C18 | C5 | C4 | 28.1° | 0.2° |
| C28 | C22 | C18 | C5 | 0.2° | 4.1° |
| C22 | C28 | H6 | H7 | 117.0° | 116.1° |
| C22 | C18 | C5 | C6 | 27.4° | 2.7° |
| C22 | C18 | C5 | C4 | 151.7° | 179.4° |
| C18 | C22 | C28 | H6 | 37.8° | 55.3° |
| C18 | C22 | C28 | H7 | 155.8° | 171.1° |
| C18 | C5 | C6 | C4 | 179.1° | 176.9° |
| C18 | C5 | C6 | C1 | 178.9° | 170.4° |
| C18 | C5 | C4 | N3 | 179.1° | 173.6° |
| C18 | C5 | C6 | H3 | 1.1° | 13.3° |
| C18 | C5 | C4 | H5 | 0.9° | 7.5° |
| C12 | C11 | C10 | C8 | 179.7° | 178.2° |
| C11 | C12 | C13 | H1 | 180.0° | 179.8° |
| C12 | C11 | C10 | C15 | 0.2° | 1.3° |
| C11 | C12 | C13 | C14 | 0.1° | 0.7° |
| C11 | C12 | C13 | H2 | 179.9° | 179.0° |
| C11 | C10 | C8 | C9 | 118.2° | 73.1° |
| C11 | C10 | C8 | C15 | 179.5° | 179.4° |
| C11 | C10 | C8 | O7 | 123.0° | 52.4° |
| C10 | C11 | C12 | C13 | 0.2° | 1.5° |
| C11 | C10 | C15 | C14 | 0.1° | 0.2° |
| C10 | C11 | C12 | H1 | 179.8° | 178.7° |
| C11 | C10 | C15 | H4 | 179.9° | 179.7° |
| C11 | C10 | C8 | H8 | 1.6° | 170.6° |
| C9 | C8 | C10 | O7 | 118.8° | 125.5° |
| C9 | C8 | C10 | H8 | 119.8° | 116.3° |
| C9 | C8 | O7 | H8 | 117.0° | 117.6° |
| C9 | C8 | C10 | C15 | 62.2° | 106.3° |
| C9 | C8 | O7 | C1 | 164.8° | 7.5° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 120.0° |
| C10 | C8 | O7 | H8 | 120.7° | 118.1° |
| C10 | C8 | O7 | C1 | 72.8° | 131.9° |
| C8 | C10 | C15 | C14 | 179.7° | 179.3° |
| C8 | C10 | C15 | H4 | 0.3° | 0.8° |
| C10 | C8 | C9 | H9 | 180.0° | 60.0° |
| C10 | C8 | C9 | H10 | 60.0° | 180.0° |
| C10 | C8 | C9 | H11 | 60.0° | 60.1° |
| C8 | O7 | C1 | C6 | 0.4° | 90.6° |
| O7 | C8 | C10 | C15 | 56.5° | 128.2° |
| C8 | O7 | C1 | C2 | 179.1° | 87.7° |
| O7 | C8 | C9 | H9 | 57.5° | 65.9° |
| O7 | C8 | C9 | H10 | 177.5° | 54.1° |
| O7 | C8 | C9 | H11 | 62.5° | 174.0° |
| C5 | C6 | C1 | H3 | 180.0° | 176.4° |
| C5 | C6 | C1 | O7 | 179.3° | 172.3° |
| C5 | C6 | C1 | C2 | 0.2° | 6.1° |
| C6 | C5 | C4 | N3 | 0.0° | 3.0° |
| C6 | C5 | C4 | H5 | 180.0° | 175.9° |
| C1 | C6 | C5 | C4 | 0.2° | 6.6° |
| C6 | C1 | O7 | C2 | 179.5° | 178.2° |
| C6 | C1 | C2 | N3 | 0.0° | 1.9° |
| C6 | C1 | C2 | N17 | 179.8° | 178.0° |
| C5 | C4 | N3 | H5 | 180.0° | 179.0° |
| C5 | C4 | N3 | C2 | 0.2° | 1.1° |
| C4 | C5 | C6 | H3 | 179.8° | 169.8° |
| C12 | C13 | C14 | H2 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.1° | 0.4° |
| C12 | C13 | C14 | F16 | 179.9° | 179.2° |
| C10 | C15 | C14 | C13 | 0.1° | 0.6° |
| C10 | C15 | C14 | H4 | 180.0° | 179.9° |
| C10 | C15 | C14 | F16 | 179.9° | 179.0° |
| C15 | C10 | C8 | H8 | 177.9° | 9.9° |
| O7 | C1 | C2 | N3 | 179.6° | 176.3° |
| O7 | C1 | C2 | N17 | 0.2° | 3.8° |
| O7 | C1 | C6 | H3 | 0.7° | 11.3° |
| C1 | O7 | C8 | H8 | 47.8° | 110.1° |
| C1 | C2 | N3 | C4 | 0.2° | 1.8° |
| C1 | C2 | N3 | N17 | 179.8° | 179.9° |
| C2 | C1 | C6 | H3 | 179.8° | 170.4° |
| C1 | C2 | N17 | H18 | 179.8° | 0.1° |
| C1 | C2 | N17 | H19 | 60.2° | 180.0° |
| C4 | N3 | C2 | N17 | 179.5° | 178.3° |
| C2 | N3 | C4 | H5 | 179.7° | 179.9° |
| N3 | C2 | N17 | H18 | 0.0° | 179.8° |
| N3 | C2 | N17 | H19 | 120.0° | 0.1° |
| C2 | N17 | H18 | H19 | 120.0° | 179.9° |
| C13 | C14 | C15 | F16 | 180.0° | 179.6° |
| C14 | C13 | C12 | H1 | 179.9° | 179.5° |
| C13 | C14 | C15 | H4 | 179.9° | 179.5° |
| C15 | C14 | C13 | H2 | 179.9° | 179.9° |
| F16 | C14 | C13 | H2 | 0.1° | 0.5° |
| F16 | C14 | C15 | H4 | 0.1° | 1.0° |
| H1 | C12 | C13 | H2 | 0.1° | 0.8° |
| H8 | C8 | C9 | H9 | 60.3° | 176.3° |
| H8 | C8 | C9 | H10 | 59.7° | 63.7° |
| H8 | C8 | C9 | H11 | 179.7° | 56.2° |
| H9 | C9 | H10 | H11 | 120.0° | 120.0° |
| H12 | C25 | H13 | H14 | 120.0° | 120.0° |
| H15 | C29 | H16 | H17 | 119.9° | 120.0° |
