S72
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.49Å | |
| F | C23 | sing | 1.35Å | 1.36Å | |
| N | N1 | doub | 1.29Å | 1.31Å | Aromatic |
| N | C2 | sing | 1.34Å | 1.36Å | Aromatic |
| O | C10 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | doub | 1.37Å | 1.37Å | Aromatic |
| C1 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| O1 | C18 | doub | 1.21Å | 1.23Å | |
| C2 | C10 | sing | 1.48Å | 1.48Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| O2 | C27 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| N3 | C10 | sing | 1.35Å | 1.34Å | |
| N3 | C11 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C18 | sing | 1.35Å | 1.36Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| N4 | C26 | sing | 1.46Å | 1.45Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C27 | sing | 1.35Å | 1.33Å | |
| N5 | C28 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | 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 | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 131.9° | 126.6° |
| C | C1 | N2 | 123.6° | 126.6° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | HA | 109.5° | 109.5° |
| C1 | C | HB | 109.5° | 109.5° |
| F | C23 | C22 | 118.5° | 120.0° |
| F | C23 | C24 | 118.7° | 120.0° |
| N1 | N | C2 | 108.3° | 109.5° |
| N | N1 | N2 | 107.5° | 108.4° |
| N | C2 | C1 | 109.2° | 108.4° |
| N | C2 | C10 | 122.1° | 125.8° |
| O | C10 | C2 | 122.4° | 120.0° |
| O | C10 | N3 | 123.8° | 120.0° |
| C2 | C1 | N2 | 104.0° | 106.9° |
| C1 | C2 | C10 | 127.0° | 125.8° |
| C1 | N2 | N1 | 110.6° | 106.8° |
| C1 | N2 | C3 | 130.6° | 126.6° |
| N1 | N2 | C3 | 118.5° | 126.6° |
| O1 | C18 | N4 | 121.8° | 120.0° |
| O1 | C18 | C17 | 120.5° | 120.0° |
| C2 | C10 | N3 | 113.9° | 120.0° |
| N2 | C3 | C4 | 112.0° | 109.5° |
| N2 | C3 | H3 | 108.8° | 109.4° |
| N2 | C3 | H3A | 108.8° | 109.4° |
| O2 | C27 | N5 | 122.6° | 120.0° |
| O2 | C27 | C26 | 120.5° | 120.0° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C3 | C4 | C9 | 120.3° | 120.0° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C4 | C3 | H3A | 108.8° | 109.5° |
| C10 | N3 | C11 | 122.2° | 120.0° |
| C10 | N3 | HN3 | 118.9° | 120.0° |
| N3 | C11 | C12 | 110.8° | 109.5° |
| N3 | C11 | C16 | 110.9° | 109.4° |
| C11 | N3 | HN3 | 118.9° | 120.0° |
| N3 | C11 | H11 | 108.4° | 109.5° |
| C5 | C4 | C9 | 118.4° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.1° |
| C4 | C9 | C8 | 120.8° | 120.0° |
| C4 | C9 | H9 | 119.6° | 120.0° |
| C18 | N4 | C19 | 122.9° | 120.0° |
| C18 | N4 | C26 | 122.3° | 120.0° |
| N4 | C18 | C17 | 117.7° | 120.0° |
| C19 | N4 | C26 | 114.6° | 120.0° |
| N4 | C19 | C20 | 112.7° | 109.5° |
| N4 | C19 | H19 | 108.7° | 109.5° |
| N4 | C19 | H19A | 108.6° | 109.4° |
| N4 | C26 | C27 | 111.2° | 109.5° |
| N4 | C26 | H26 | 109.0° | 109.5° |
| N4 | C26 | H26A | 109.0° | 109.5° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C27 | N5 | C28 | 122.5° | 120.0° |
| N5 | C27 | C26 | 104.5° | 120.0° |
| C27 | N5 | HN5 | 118.8° | 120.0° |
| C28 | N5 | HN5 | 118.8° | 120.0° |
| N5 | C28 | H28 | 109.5° | 109.5° |
| N5 | C28 | H28A | 109.5° | 109.5° |
| N5 | C28 | H28B | 109.5° | 109.5° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C8 | C7 | H7 | 120.2° | 119.9° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C9 | C8 | H8 | 119.9° | 120.0° |
| C8 | C9 | H9 | 119.6° | 120.0° |
| C12 | C11 | C16 | 111.4° | 109.4° |
| C11 | C12 | C13 | 112.3° | 109.5° |
| C12 | C11 | H11 | 107.7° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.4° |
| C11 | C12 | H12A | 108.8° | 109.5° |
| C11 | C16 | C15 | 112.9° | 109.5° |
| C16 | C11 | H11 | 107.5° | 109.5° |
| C11 | C16 | H16 | 108.6° | 109.5° |
| C11 | C16 | H16A | 108.6° | 109.5° |
| C12 | C13 | C14 | 111.9° | 109.5° |
| C13 | C12 | H12 | 108.8° | 109.5° |
| C13 | C12 | H12A | 108.8° | 109.5° |
| C12 | C13 | H13 | 108.8° | 109.5° |
| C12 | C13 | H13A | 108.9° | 109.4° |
| C13 | C14 | C15 | 108.8° | 109.5° |
| C13 | C14 | C17 | 111.2° | 109.4° |
| C14 | C13 | H13 | 108.9° | 109.4° |
| C14 | C13 | H13A | 108.9° | 109.5° |
| C13 | C14 | H14 | 107.9° | 109.4° |
| C15 | C14 | C17 | 113.1° | 109.5° |
| C14 | C15 | C16 | 112.1° | 109.5° |
| C15 | C14 | H14 | 107.8° | 109.5° |
| C14 | C15 | H15 | 108.8° | 109.5° |
| C14 | C15 | H15A | 108.8° | 109.5° |
| C14 | C17 | C18 | 116.1° | 109.4° |
| C17 | C14 | H14 | 107.8° | 109.5° |
| C14 | C17 | H17 | 107.8° | 109.5° |
| C14 | C17 | H17A | 107.8° | 109.5° |
| C16 | C15 | H15 | 108.8° | 109.5° |
| C16 | C15 | H15A | 108.8° | 109.5° |
| C15 | C16 | H16 | 108.6° | 109.5° |
| C15 | C16 | H16A | 108.6° | 109.5° |
| C18 | C17 | H17 | 107.8° | 109.5° |
| C18 | C17 | H17A | 107.8° | 109.4° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C19 | C20 | C25 | 120.7° | 119.9° |
| C20 | C19 | H19 | 108.7° | 109.5° |
| C20 | C19 | H19A | 108.7° | 109.5° |
| C21 | C20 | C25 | 118.2° | 120.1° |
| C20 | C21 | C22 | 121.3° | 120.1° |
| C20 | C21 | H21 | 119.3° | 120.0° |
| C20 | C25 | C24 | 121.1° | 120.0° |
| C20 | C25 | H25 | 119.4° | 120.0° |
| C21 | C22 | C23 | 118.2° | 119.9° |
| C22 | C21 | H21 | 119.3° | 120.0° |
| C21 | C22 | H22 | 120.9° | 120.1° |
| C22 | C23 | C24 | 122.8° | 120.0° |
| C23 | C22 | H22 | 120.9° | 120.0° |
| C23 | C24 | C25 | 118.2° | 120.0° |
| C23 | C24 | H24 | 120.9° | 120.0° |
| C25 | C24 | H24 | 120.9° | 120.0° |
| C24 | C25 | H25 | 119.4° | 120.0° |
| C27 | C26 | H26 | 109.0° | 109.5° |
| C27 | C26 | H26A | 109.0° | 109.5° |
| H | C | HA | 109.5° | 109.4° |
| H | C | HB | 109.5° | 109.5° |
| HA | C | HB | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | N | 178.6° | 180.0° |
| C | C1 | C2 | N2 | 172.5° | 180.0° |
| C | C1 | N2 | N1 | 179.1° | 180.0° |
| C | C1 | C2 | C10 | 16.1° | 0.0° |
| C | C1 | N2 | C3 | 7.1° | 0.0° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 120.0° |
| C1 | C | HA | HB | 120.0° | 120.0° |
| F | C23 | C22 | C21 | 180.0° | 180.0° |
| F | C23 | C22 | C24 | 179.9° | 180.0° |
| F | C23 | C24 | C25 | 179.3° | 179.8° |
| F | C23 | C22 | H22 | 0.0° | 0.0° |
| F | C23 | C24 | H24 | 0.7° | 0.0° |
| N1 | N | C2 | C1 | 4.4° | 0.0° |
| N | N1 | N2 | C1 | 3.3° | 0.0° |
| N1 | N | C2 | C10 | 170.5° | 179.9° |
| N | N1 | N2 | C3 | 178.0° | 180.0° |
| N | C2 | C10 | O | 163.5° | 180.0° |
| N | C2 | C1 | C10 | 165.3° | 179.9° |
| N | C2 | C1 | N2 | 6.1° | 0.0° |
| C2 | N | N1 | N2 | 0.7° | 0.0° |
| N | C2 | C10 | N3 | 16.8° | 0.1° |
| O | C10 | C2 | C1 | 0.0° | 0.0° |
| O | C10 | C2 | N3 | 179.7° | 180.0° |
| O | C10 | N3 | C11 | 9.5° | 0.0° |
| O | C10 | N3 | HN3 | 170.5° | 180.0° |
| C2 | C1 | N2 | N1 | 5.8° | 0.0° |
| C2 | C1 | N2 | C3 | 179.6° | 180.0° |
| C1 | C2 | C10 | N3 | 179.6° | 180.0° |
| C2 | C1 | C | H | 84.9° | 90.1° |
| C2 | C1 | C | HA | 155.1° | 150.0° |
| C2 | C1 | C | HB | 35.1° | 29.9° |
| C1 | N2 | N1 | C3 | 174.7° | 180.0° |
| N2 | C1 | C2 | C10 | 171.4° | 179.9° |
| C1 | N2 | C3 | C4 | 80.6° | 90.0° |
| N2 | C1 | C | H | 86.3° | 90.0° |
| N2 | C1 | C | HA | 33.7° | 30.0° |
| N2 | C1 | C | HB | 153.7° | 150.0° |
| C1 | N2 | C3 | H3 | 39.8° | 150.0° |
| C1 | N2 | C3 | H3A | 159.0° | 30.0° |
| N1 | N2 | C3 | C4 | 92.8° | 90.1° |
| N1 | N2 | C3 | H3 | 146.8° | 30.0° |
| N1 | N2 | C3 | H3A | 27.6° | 149.9° |
| O1 | C18 | N4 | C17 | 180.0° | 179.9° |
| O1 | C18 | N4 | C19 | 1.3° | 0.1° |
| O1 | C18 | N4 | C26 | 173.9° | 180.0° |
| O1 | C18 | C17 | C14 | 17.2° | 0.1° |
| O1 | C18 | C17 | H17 | 138.2° | 119.9° |
| O1 | C18 | C17 | H17A | 103.8° | 120.0° |
| C2 | C10 | N3 | C11 | 170.8° | 179.9° |
| C2 | C10 | N3 | HN3 | 9.2° | 0.0° |
| N2 | C3 | C4 | H3 | 120.4° | 120.0° |
| N2 | C3 | C4 | H3A | 120.4° | 120.0° |
| N2 | C3 | C4 | C5 | 62.8° | 90.0° |
| N2 | C3 | C4 | C9 | 111.3° | 90.3° |
| N2 | C3 | H3 | H3A | 118.8° | 119.9° |
| O2 | C27 | C26 | N4 | 74.9° | 0.0° |
| O2 | C27 | N5 | C26 | 141.9° | 179.9° |
| O2 | C27 | N5 | C28 | 33.6° | 0.1° |
| O2 | C27 | N5 | HN5 | 146.5° | 179.9° |
| O2 | C27 | C26 | H26 | 164.9° | 120.1° |
| O2 | C27 | C26 | H26A | 45.4° | 120.0° |
| C3 | C4 | C5 | C9 | 174.2° | 179.7° |
| C3 | C4 | C5 | C6 | 178.0° | 180.0° |
| C3 | C4 | C9 | C8 | 178.1° | 179.7° |
| C4 | C3 | H3 | H3A | 118.9° | 120.0° |
| C3 | C4 | C5 | H5 | 2.0° | 0.0° |
| C3 | C4 | C9 | H9 | 1.9° | 0.0° |
| C10 | N3 | C11 | HN3 | 180.0° | 179.9° |
| C10 | N3 | C11 | C12 | 142.0° | 155.0° |
| C10 | N3 | C11 | C16 | 93.8° | 85.1° |
| C10 | N3 | C11 | H11 | 24.0° | 34.9° |
| N3 | C11 | C12 | C16 | 124.0° | 120.0° |
| N3 | C11 | C12 | H11 | 118.4° | 120.1° |
| N3 | C11 | C16 | H11 | 118.4° | 120.0° |
| N3 | C11 | C12 | C13 | 72.8° | 59.9° |
| N3 | C11 | C16 | C15 | 74.6° | 60.0° |
| N3 | C11 | C12 | H12 | 47.6° | 60.0° |
| N3 | C11 | C12 | H12A | 166.8° | 180.0° |
| N3 | C11 | C16 | H16 | 164.9° | 180.0° |
| N3 | C11 | C16 | H16A | 45.9° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.6° | 0.0° |
| C5 | C4 | C9 | C8 | 3.8° | 0.5° |
| C5 | C4 | C3 | H3 | 176.8° | 30.0° |
| C5 | C4 | C3 | H3A | 57.6° | 150.0° |
| C4 | C5 | C6 | H6 | 178.4° | 179.9° |
| C5 | C4 | C9 | H9 | 176.1° | 179.7° |
| C9 | C4 | C5 | C6 | 3.7° | 0.3° |
| C4 | C9 | C8 | C7 | 1.8° | 0.5° |
| C4 | C9 | C8 | H9 | 180.0° | 179.7° |
| C9 | C4 | C3 | H3 | 9.0° | 149.8° |
| C9 | C4 | C3 | H3A | 128.3° | 29.7° |
| C9 | C4 | C5 | H5 | 176.3° | 179.8° |
| C4 | C9 | C8 | H8 | 178.2° | 179.7° |
| C18 | N4 | C19 | C26 | 175.5° | 179.9° |
| N4 | C18 | C17 | C14 | 162.8° | 180.0° |
| C18 | N4 | C19 | C20 | 124.3° | 90.0° |
| C18 | N4 | C26 | C27 | 76.3° | 90.0° |
| N4 | C18 | C17 | H17 | 41.8° | 60.0° |
| N4 | C18 | C17 | H17A | 76.2° | 60.1° |
| C18 | N4 | C19 | H19 | 115.2° | 150.0° |
| C18 | N4 | C19 | H19A | 3.9° | 30.0° |
| C18 | N4 | C26 | H26 | 44.0° | 150.0° |
| C18 | N4 | C26 | H26A | 163.4° | 30.0° |
| C19 | N4 | C18 | C17 | 178.7° | 180.0° |
| N4 | C19 | C20 | H19 | 120.5° | 120.0° |
| N4 | C19 | C20 | H19A | 120.5° | 120.0° |
| N4 | C19 | C20 | C21 | 100.3° | 90.0° |
| N4 | C19 | C20 | C25 | 73.6° | 90.3° |
| C19 | N4 | C26 | C27 | 108.2° | 90.0° |
| N4 | C19 | H19 | H19A | 118.5° | 120.0° |
| C19 | N4 | C26 | H26 | 131.6° | 30.0° |
| C19 | N4 | C26 | H26A | 12.1° | 150.0° |
| N4 | C26 | C27 | N5 | 142.2° | 180.0° |
| C26 | N4 | C18 | C17 | 6.1° | 0.1° |
| C26 | N4 | C19 | C20 | 60.1° | 90.0° |
| N4 | C26 | C27 | H26 | 120.3° | 120.0° |
| N4 | C26 | C27 | H26A | 120.3° | 120.0° |
| C26 | N4 | C19 | H19 | 60.3° | 30.0° |
| C26 | N4 | C19 | H19A | 179.4° | 150.0° |
| N4 | C26 | H26 | H26A | 119.2° | 120.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H7 | 179.5° | 180.0° |
| C27 | N5 | C28 | HN5 | 180.0° | 180.0° |
| N5 | C27 | C26 | H26 | 22.0° | 60.0° |
| N5 | C27 | C26 | H26A | 97.5° | 60.0° |
| C27 | N5 | C28 | H28 | 180.0° | 180.0° |
| C27 | N5 | C28 | H28A | 60.0° | 60.0° |
| C27 | N5 | C28 | H28B | 60.0° | 60.0° |
| C28 | N5 | C27 | C26 | 108.4° | 180.0° |
| N5 | C28 | H28 | H28A | 120.0° | 120.0° |
| N5 | C28 | H28 | H28B | 120.0° | 120.1° |
| N5 | C28 | H28A | H28B | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.4° | 0.3° |
| C7 | C6 | C5 | H5 | 178.4° | 180.0° |
| C6 | C7 | C8 | H8 | 179.6° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C8 | C7 | C6 | H6 | 179.5° | 179.9° |
| C7 | C8 | C9 | H9 | 178.2° | 179.7° |
| C9 | C8 | C7 | H7 | 179.6° | 179.8° |
| C12 | C11 | C16 | H11 | 117.7° | 120.0° |
| C11 | C12 | C13 | H12 | 120.4° | 119.9° |
| C11 | C12 | C13 | H12A | 120.4° | 120.1° |
| C11 | C12 | C13 | C14 | 57.2° | 60.0° |
| C12 | C11 | C16 | C15 | 49.3° | 60.0° |
| C12 | C11 | N3 | HN3 | 38.0° | 24.9° |
| C11 | C12 | H12 | H12A | 118.7° | 120.0° |
| C11 | C12 | C13 | H13 | 63.2° | 59.9° |
| C11 | C12 | C13 | H13A | 177.6° | 179.9° |
| C12 | C11 | C16 | H16 | 71.2° | 60.0° |
| C12 | C11 | C16 | H16A | 169.8° | 180.0° |
| C16 | C11 | C12 | C13 | 51.2° | 60.0° |
| C11 | C16 | C15 | C14 | 53.1° | 60.0° |
| C11 | C16 | C15 | H16 | 120.5° | 120.1° |
| C11 | C16 | C15 | H16A | 120.5° | 120.0° |
| C16 | C11 | N3 | HN3 | 86.2° | 95.0° |
| C16 | C11 | C12 | H12 | 171.6° | 180.0° |
| C16 | C11 | C12 | H12A | 69.2° | 60.0° |
| C11 | C16 | C15 | H15 | 67.3° | 60.0° |
| C11 | C16 | C15 | H15A | 173.4° | 180.0° |
| C11 | C16 | H16 | H16A | 118.4° | 120.0° |
| C12 | C13 | C14 | H13 | 120.3° | 120.0° |
| C12 | C13 | C14 | H13A | 120.4° | 119.9° |
| C12 | C13 | C14 | C15 | 58.6° | 60.0° |
| C12 | C13 | C14 | C17 | 176.2° | 180.0° |
| C13 | C12 | C11 | H11 | 168.8° | 180.0° |
| C13 | C12 | H12 | H12A | 118.7° | 120.0° |
| C12 | C13 | H13 | H13A | 118.9° | 119.9° |
| C12 | C13 | C14 | H14 | 58.1° | 60.0° |
| C13 | C14 | C15 | C17 | 124.1° | 120.0° |
| C13 | C14 | C15 | H14 | 116.8° | 120.0° |
| C13 | C14 | C17 | H14 | 118.1° | 120.0° |
| C13 | C14 | C15 | C16 | 56.4° | 60.0° |
| C13 | C14 | C17 | C18 | 176.1° | 175.0° |
| C14 | C13 | C12 | H12 | 177.6° | 180.0° |
| C14 | C13 | C12 | H12A | 63.3° | 60.0° |
| C14 | C13 | H13 | H13A | 118.9° | 120.0° |
| C13 | C14 | C15 | H15 | 64.0° | 60.0° |
| C13 | C14 | C15 | H15A | 176.8° | 180.0° |
| C13 | C14 | C17 | H17 | 55.1° | 65.1° |
| C13 | C14 | C17 | H17A | 62.9° | 55.0° |
| C15 | C14 | C17 | H14 | 119.1° | 120.0° |
| C14 | C15 | C16 | H15 | 120.4° | 120.0° |
| C14 | C15 | C16 | H15A | 120.4° | 120.0° |
| C15 | C14 | C17 | C18 | 53.4° | 65.0° |
| C15 | C14 | C13 | H13 | 61.7° | 60.0° |
| C15 | C14 | C13 | H13A | 179.0° | 179.9° |
| C14 | C15 | H15 | H15A | 118.8° | 120.0° |
| C14 | C15 | C16 | H16 | 67.4° | 60.1° |
| C14 | C15 | C16 | H16A | 173.6° | 180.0° |
| C15 | C14 | C17 | H17 | 67.6° | 55.0° |
| C15 | C14 | C17 | H17A | 174.4° | 175.0° |
| C17 | C14 | C15 | C16 | 179.5° | 180.0° |
| C14 | C17 | C18 | H17 | 121.0° | 120.0° |
| C14 | C17 | C18 | H17A | 121.0° | 120.0° |
| C17 | C14 | C13 | H13 | 63.5° | 60.0° |
| C17 | C14 | C13 | H13A | 55.8° | 60.0° |
| C17 | C14 | C15 | H15 | 60.1° | 60.0° |
| C17 | C14 | C15 | H15A | 59.1° | 60.0° |
| C14 | C17 | H17 | H17A | 117.0° | 120.1° |
| C15 | C16 | C11 | H11 | 167.0° | 180.0° |
| C16 | C15 | C14 | H14 | 60.3° | 60.0° |
| C16 | C15 | H15 | H15A | 118.8° | 120.0° |
| C15 | C16 | H16 | H16A | 118.4° | 120.0° |
| C18 | C17 | C14 | H14 | 65.8° | 55.0° |
| C18 | C17 | H17 | H17A | 117.0° | 120.0° |
| C19 | C20 | C21 | C25 | 174.0° | 179.8° |
| C19 | C20 | C21 | C22 | 177.1° | 180.0° |
| C19 | C20 | C25 | C24 | 176.3° | 179.8° |
| C20 | C19 | H19 | H19A | 118.5° | 120.1° |
| C19 | C20 | C21 | H21 | 2.9° | 0.0° |
| C19 | C20 | C25 | H25 | 3.7° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 2.0° | 0.0° |
| C21 | C20 | C25 | C24 | 2.3° | 0.5° |
| C21 | C20 | C19 | H19 | 20.2° | 30.0° |
| C21 | C20 | C19 | H19A | 139.3° | 150.0° |
| C20 | C21 | C22 | H22 | 178.1° | 180.0° |
| C21 | C20 | C25 | H25 | 177.7° | 179.8° |
| C25 | C20 | C21 | C22 | 3.0° | 0.2° |
| C20 | C25 | C24 | C23 | 0.5° | 0.5° |
| C20 | C25 | C24 | H25 | 180.0° | 179.7° |
| C25 | C20 | C19 | H19 | 165.9° | 149.8° |
| C25 | C20 | C19 | H19A | 46.8° | 29.7° |
| C25 | C20 | C21 | H21 | 177.0° | 179.7° |
| C20 | C25 | C24 | H24 | 179.5° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.3° |
| C23 | C22 | C21 | H21 | 178.0° | 180.0° |
| C22 | C23 | C24 | H24 | 179.4° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 179.5° | 179.8° |
| C26 | C27 | N5 | HN5 | 71.6° | 0.0° |
| C27 | C26 | H26 | H26A | 119.2° | 120.0° |
| H | C | HA | HB | 120.0° | 120.0° |
| HN3 | N3 | C11 | H11 | 155.9° | 145.0° |
| H5 | C5 | C6 | H6 | 1.6° | 0.0° |
| HN5 | N5 | C28 | H28 | 0.0° | 0.0° |
| HN5 | N5 | C28 | H28A | 120.0° | 120.0° |
| HN5 | N5 | C28 | H28B | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.5° | 0.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.0° |
| H8 | C8 | C9 | H9 | 1.8° | 0.0° |
| H11 | C11 | C12 | H12 | 70.7° | 60.1° |
| H11 | C11 | C12 | H12A | 48.4° | 59.9° |
| H11 | C11 | C16 | H16 | 46.5° | 60.0° |
| H11 | C11 | C16 | H16A | 72.5° | 60.0° |
| H12 | C12 | C13 | H13 | 57.2° | 60.0° |
| H12 | C12 | C13 | H13A | 62.0° | 60.0° |
| H12A | C12 | C13 | H13 | 176.4° | 180.0° |
| H12A | C12 | C13 | H13A | 57.1° | 60.0° |
| H13 | C13 | C14 | H14 | 178.4° | 180.0° |
| H13A | C13 | C14 | H14 | 62.3° | 60.0° |
| H14 | C14 | C15 | H15 | 179.3° | 180.0° |
| H14 | C14 | C15 | H15A | 60.0° | 60.0° |
| H14 | C14 | C17 | H17 | 173.3° | 175.0° |
| H14 | C14 | C17 | H17A | 55.2° | 65.0° |
| H15 | C15 | C16 | H16 | 172.2° | 179.9° |
| H15 | C15 | C16 | H16A | 53.2° | 60.0° |
| H15A | C15 | C16 | H16 | 52.9° | 59.9° |
| H15A | C15 | C16 | H16A | 66.0° | 60.0° |
| H21 | C21 | C22 | H22 | 2.0° | 0.0° |
| H24 | C24 | C25 | H25 | 0.5° | 0.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
