B91
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | C29 | sing | 1.41Å | 1.41Å | Aromatic |
| F1 | C19 | sing | 1.40Å | 1.31Å | |
| N1 | C3 | sing | 1.39Å | 1.46Å | |
| N1 | C26 | sing | 1.37Å | 1.36Å | Aromatic |
| O1 | C12 | doub | 1.22Å | 1.24Å | |
| C2 | C24 | sing | 1.53Å | 1.52Å | |
| C2 | C28 | sing | 1.53Å | 1.54Å | |
| F2 | C19 | sing | 1.40Å | 1.31Å | |
| N2 | C12 | sing | 1.35Å | 1.36Å | |
| N2 | C13 | sing | 1.40Å | 1.38Å | |
| C3 | C4 | doub | 1.33Å | 1.30Å | |
| F3 | C19 | sing | 1.40Å | 1.32Å | |
| N3 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C22 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C23 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.46Å | |
| N4 | C23 | doub | 1.31Å | 1.35Å | Aromatic |
| N4 | C25 | sing | 1.34Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| N5 | C26 | doub | 1.30Å | 1.37Å | Aromatic |
| N5 | C29 | sing | 1.35Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C11 | sing | 1.51Å | 1.50Å | |
| N6 | C33 | sing | 1.32Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| N7 | C30 | sing | 1.33Å | 1.36Å | Aromatic |
| N7 | C33 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| N8 | C24 | sing | 1.46Å | 1.50Å | |
| N8 | C30 | sing | 1.38Å | 1.36Å | |
| C9 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.46Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.51Å | |
| C22 | C25 | doub | 1.35Å | 1.39Å | Aromatic |
| C24 | C28 | sing | 1.53Å | 1.54Å | |
| C25 | C27 | sing | 1.51Å | 1.46Å | |
| C29 | C30 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N6 | 130.1° | 134.9° |
| N1 | C1 | C29 | 104.5° | 106.0° |
| C1 | N1 | C3 | 130.5° | 126.4° |
| C1 | N1 | C26 | 110.9° | 107.4° |
| N6 | C1 | C29 | 125.4° | 119.1° |
| C1 | N6 | C33 | 115.1° | 120.6° |
| C1 | C29 | N5 | 109.2° | 107.2° |
| C1 | C29 | C30 | 115.9° | 118.2° |
| F1 | C19 | F2 | 107.2° | 109.5° |
| F1 | C19 | F3 | 108.9° | 109.5° |
| F1 | C19 | C17 | 109.2° | 109.4° |
| C3 | N1 | C26 | 118.6° | 126.3° |
| N1 | C3 | C4 | 124.7° | 120.1° |
| N1 | C3 | H3 | 117.6° | 120.0° |
| N1 | C26 | N5 | 107.6° | 109.9° |
| N1 | C26 | H26 | 126.2° | 125.1° |
| O1 | C12 | N2 | 122.4° | 120.0° |
| O1 | C12 | C9 | 119.9° | 120.0° |
| C24 | C2 | C28 | 60.4° | 60.0° |
| C2 | C24 | N8 | 111.1° | 117.5° |
| C2 | C24 | C28 | 60.2° | 60.0° |
| C24 | C2 | H2 | 130.6° | 117.5° |
| C24 | C2 | H2A | 130.6° | 117.5° |
| C2 | C24 | H24 | 135.9° | 117.5° |
| C2 | C28 | C24 | 59.4° | 60.0° |
| C28 | C2 | H2 | 130.6° | 117.5° |
| C28 | C2 | H2A | 130.6° | 117.5° |
| C2 | C28 | H28 | 131.2° | 117.6° |
| C2 | C28 | H28A | 131.2° | 117.5° |
| F2 | C19 | F3 | 109.7° | 109.5° |
| F2 | C19 | C17 | 111.1° | 109.4° |
| C12 | N2 | C13 | 127.7° | 120.0° |
| N2 | C12 | C9 | 117.6° | 120.0° |
| C12 | N2 | HN2 | 116.1° | 120.0° |
| N2 | C13 | C14 | 116.6° | 120.1° |
| N2 | C13 | C18 | 124.2° | 120.1° |
| C13 | N2 | HN2 | 116.2° | 120.0° |
| C3 | C4 | C5 | 121.9° | 120.0° |
| C4 | C3 | H3 | 117.6° | 120.0° |
| C3 | C4 | H4 | 119.1° | 120.0° |
| F3 | C19 | C17 | 110.6° | 109.4° |
| C15 | N3 | C22 | 126.6° | 126.5° |
| C15 | N3 | C23 | 124.6° | 126.5° |
| N3 | C15 | C14 | 118.1° | 120.1° |
| N3 | C15 | C16 | 123.9° | 120.0° |
| C22 | N3 | C23 | 108.7° | 107.0° |
| N3 | C22 | C25 | 105.4° | 106.9° |
| N3 | C22 | H22 | 127.3° | 126.6° |
| N3 | C23 | N4 | 107.9° | 108.6° |
| N3 | C23 | H23 | 126.1° | 125.7° |
| C4 | C5 | C6 | 120.6° | 120.1° |
| C4 | C5 | C10 | 119.7° | 120.1° |
| C5 | C4 | H4 | 119.0° | 120.0° |
| C23 | N4 | C25 | 108.4° | 109.3° |
| N4 | C23 | H23 | 126.1° | 125.7° |
| N4 | C25 | C22 | 109.6° | 108.2° |
| N4 | C25 | C27 | 122.0° | 125.9° |
| C6 | C5 | C10 | 119.7° | 119.8° |
| C5 | C6 | C7 | 120.5° | 120.1° |
| C5 | C6 | C11 | 121.2° | 119.9° |
| C5 | C10 | C9 | 120.0° | 119.7° |
| C5 | C10 | H10 | 120.0° | 120.2° |
| C26 | N5 | C29 | 107.9° | 109.5° |
| N5 | C26 | H26 | 126.2° | 125.0° |
| N5 | C29 | C30 | 135.0° | 134.6° |
| C7 | C6 | C11 | 118.3° | 119.9° |
| C6 | C7 | C8 | 119.6° | 120.3° |
| C6 | C7 | H7 | 120.2° | 119.9° |
| C6 | C11 | H11 | 109.5° | 109.5° |
| C6 | C11 | H11A | 109.5° | 109.5° |
| C6 | C11 | H11B | 109.4° | 109.5° |
| N6 | C33 | N7 | 122.8° | 122.5° |
| N6 | C33 | H33 | 118.6° | 118.7° |
| C7 | C8 | C9 | 120.2° | 120.1° |
| C8 | C7 | H7 | 120.2° | 119.8° |
| C7 | C8 | H8 | 119.9° | 119.9° |
| C30 | N7 | C33 | 121.4° | 121.2° |
| N7 | C30 | N8 | 121.2° | 120.8° |
| N7 | C30 | C29 | 119.4° | 118.5° |
| N7 | C33 | H33 | 118.6° | 118.8° |
| C8 | C9 | C10 | 119.9° | 119.9° |
| C8 | C9 | C12 | 122.5° | 120.0° |
| C9 | C8 | H8 | 119.9° | 120.0° |
| C24 | N8 | C30 | 120.0° | 120.0° |
| N8 | C24 | C28 | 112.5° | 117.5° |
| C24 | N8 | HN8 | 106.1° | 120.0° |
| N8 | C24 | H24 | 99.4° | 115.6° |
| N8 | C30 | C29 | 119.4° | 120.8° |
| C30 | N8 | HN8 | 106.1° | 120.0° |
| C10 | C9 | C12 | 117.6° | 120.1° |
| C9 | C10 | H10 | 120.0° | 120.2° |
| C14 | C13 | C18 | 119.2° | 119.9° |
| C13 | C14 | C15 | 122.3° | 119.9° |
| C13 | C14 | H14 | 118.8° | 120.0° |
| C13 | C18 | C17 | 121.0° | 120.0° |
| C13 | C18 | H18 | 119.5° | 119.9° |
| C14 | C15 | C16 | 117.9° | 119.9° |
| C15 | C14 | H14 | 118.8° | 120.1° |
| C15 | C16 | C17 | 121.3° | 120.1° |
| C15 | C16 | H16 | 119.3° | 120.0° |
| C16 | C17 | C18 | 118.3° | 120.2° |
| C16 | C17 | C19 | 122.9° | 119.9° |
| C17 | C16 | H16 | 119.4° | 120.0° |
| C18 | C17 | C19 | 118.8° | 119.9° |
| C17 | C18 | H18 | 119.5° | 120.0° |
| C22 | C25 | C27 | 128.4° | 125.9° |
| C25 | C22 | H22 | 127.3° | 126.5° |
| C28 | C24 | H24 | 134.7° | 117.5° |
| C24 | C28 | H28 | 131.2° | 117.6° |
| C24 | C28 | H28A | 131.2° | 117.5° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.5° |
| C25 | C27 | H27B | 109.5° | 109.5° |
| H2 | C2 | H2A | 82.2° | 115.6° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H28 | C28 | H28A | 81.3° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N6 | C29 | 180.0° | 179.6° |
| C1 | N1 | C3 | C26 | 179.6° | 179.9° |
| C1 | N1 | C3 | C4 | 16.4° | 180.0° |
| C1 | N1 | C26 | N5 | 0.2° | 0.1° |
| N1 | C1 | C29 | N5 | 0.6° | 0.5° |
| N1 | C1 | N6 | C33 | 179.5° | 180.0° |
| N1 | C1 | C29 | C30 | 179.0° | 180.0° |
| C1 | N1 | C3 | H3 | 163.6° | 0.0° |
| C1 | N1 | C26 | H26 | 179.8° | 179.9° |
| N6 | C1 | N1 | C3 | 0.8° | 0.1° |
| N6 | C1 | N1 | C26 | 179.5° | 180.0° |
| N6 | C1 | C29 | N5 | 179.4° | 179.8° |
| C1 | N6 | C33 | N7 | 0.2° | 0.3° |
| N6 | C1 | C29 | C30 | 1.0° | 0.3° |
| C1 | N6 | C33 | H33 | 179.8° | 180.0° |
| C29 | C1 | N1 | C3 | 179.1° | 179.7° |
| C29 | C1 | N1 | C26 | 0.5° | 0.4° |
| C1 | C29 | N5 | C26 | 0.5° | 0.5° |
| C1 | C29 | N5 | C30 | 179.5° | 179.4° |
| C29 | C1 | N6 | C33 | 0.5° | 0.4° |
| C1 | C29 | C30 | N7 | 0.7° | 0.1° |
| C1 | C29 | C30 | N8 | 178.9° | 179.9° |
| F1 | C19 | F2 | F3 | 118.1° | 120.1° |
| F1 | C19 | F2 | C17 | 119.3° | 120.0° |
| F1 | C19 | F3 | C17 | 120.0° | 120.0° |
| F1 | C19 | C17 | C16 | 103.8° | 90.0° |
| F1 | C19 | C17 | C18 | 76.4° | 89.7° |
| N1 | C3 | C4 | H3 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 177.3° | 180.0° |
| C3 | N1 | C26 | N5 | 179.5° | 180.0° |
| N1 | C3 | C4 | H4 | 2.7° | 0.0° |
| C3 | N1 | C26 | H26 | 0.5° | 0.1° |
| C26 | N1 | C3 | C4 | 164.0° | 0.1° |
| N1 | C26 | N5 | H26 | 180.0° | 179.8° |
| N1 | C26 | N5 | C29 | 0.2° | 0.3° |
| C26 | N1 | C3 | H3 | 16.0° | 179.9° |
| O1 | C12 | N2 | C9 | 177.6° | 180.0° |
| O1 | C12 | N2 | C13 | 6.5° | 4.6° |
| O1 | C12 | C9 | C8 | 164.5° | 180.0° |
| O1 | C12 | C9 | C10 | 14.7° | 0.2° |
| O1 | C12 | N2 | HN2 | 173.6° | 175.5° |
| C24 | C2 | C28 | H2 | 120.0° | 107.6° |
| C24 | C2 | C28 | H2A | 120.0° | 107.5° |
| C2 | C24 | N8 | C28 | 65.3° | 68.6° |
| C2 | C24 | N8 | H24 | 147.5° | 145.7° |
| C2 | C24 | N8 | C30 | 160.5° | 155.0° |
| C2 | C24 | C28 | H24 | 126.7° | 107.5° |
| C24 | C2 | H2 | H2A | 138.4° | 145.8° |
| C2 | C24 | N8 | HN8 | 79.5° | 25.0° |
| C24 | C2 | C28 | H28 | 120.0° | 107.5° |
| C24 | C2 | C28 | H28A | 120.0° | 107.5° |
| C28 | C2 | H2 | H2A | 138.5° | 145.6° |
| C2 | C28 | H28 | H28A | 138.8° | 145.7° |
| F2 | C19 | F3 | C17 | 122.9° | 119.9° |
| F2 | C19 | C17 | C16 | 138.1° | 30.0° |
| F2 | C19 | C17 | C18 | 41.7° | 150.3° |
| C12 | N2 | C13 | HN2 | 180.0° | 179.9° |
| N2 | C12 | C9 | C8 | 13.2° | 0.0° |
| N2 | C12 | C9 | C10 | 167.6° | 179.8° |
| C12 | N2 | C13 | C14 | 160.0° | 35.1° |
| C12 | N2 | C13 | C18 | 21.0° | 145.2° |
| C13 | N2 | C12 | C9 | 171.2° | 175.3° |
| N2 | C13 | C14 | C18 | 179.0° | 179.7° |
| N2 | C13 | C14 | C15 | 179.2° | 179.9° |
| N2 | C13 | C18 | C17 | 179.4° | 179.7° |
| N2 | C13 | C14 | H14 | 0.7° | 0.0° |
| N2 | C13 | C18 | H18 | 0.6° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 110.6° | 180.0° |
| C3 | C4 | C5 | C10 | 69.5° | 0.2° |
| F3 | C19 | C17 | C16 | 16.0° | 150.0° |
| F3 | C19 | C17 | C18 | 163.8° | 30.3° |
| C15 | N3 | C22 | C23 | 176.9° | 179.7° |
| C15 | N3 | C23 | N4 | 177.0° | 179.9° |
| N3 | C15 | C14 | C13 | 177.6° | 179.9° |
| N3 | C15 | C14 | C16 | 177.7° | 179.9° |
| N3 | C15 | C16 | C17 | 177.4° | 179.9° |
| C15 | N3 | C22 | C25 | 176.9° | 180.0° |
| N3 | C15 | C14 | H14 | 2.3° | 0.1° |
| N3 | C15 | C16 | H16 | 2.6° | 0.1° |
| C15 | N3 | C22 | H22 | 3.1° | 0.1° |
| C15 | N3 | C23 | H23 | 3.0° | 0.0° |
| C22 | N3 | C23 | N4 | 0.0° | 0.2° |
| N3 | C22 | C25 | N4 | 0.1° | 0.2° |
| C22 | N3 | C15 | C14 | 39.5° | 0.1° |
| C22 | N3 | C15 | C16 | 143.0° | 180.0° |
| N3 | C22 | C25 | H22 | 180.0° | 180.0° |
| N3 | C22 | C25 | C27 | 179.4° | 179.9° |
| C22 | N3 | C23 | H23 | 180.0° | 179.7° |
| N3 | C23 | N4 | H23 | 180.0° | 179.9° |
| N3 | C23 | N4 | C25 | 0.1° | 0.1° |
| C23 | N3 | C15 | C14 | 137.0° | 179.7° |
| C23 | N3 | C15 | C16 | 40.5° | 0.4° |
| C23 | N3 | C22 | C25 | 0.0° | 0.3° |
| C23 | N3 | C22 | H22 | 180.0° | 179.8° |
| C4 | C5 | C6 | C10 | 179.9° | 179.8° |
| C4 | C5 | C6 | C7 | 179.2° | 180.0° |
| C4 | C5 | C6 | C11 | 1.3° | 0.1° |
| C4 | C5 | C10 | C9 | 179.9° | 179.7° |
| C5 | C4 | C3 | H3 | 2.7° | 0.0° |
| C4 | C5 | C10 | H10 | 0.2° | 0.1° |
| C23 | N4 | C25 | C22 | 0.1° | 0.1° |
| C23 | N4 | C25 | C27 | 179.4° | 180.0° |
| N4 | C25 | C22 | C27 | 179.4° | 179.9° |
| N4 | C25 | C22 | H22 | 179.9° | 179.8° |
| C25 | N4 | C23 | H23 | 179.9° | 179.8° |
| N4 | C25 | C27 | H27 | 0.0° | 90.1° |
| N4 | C25 | C27 | H27A | 120.0° | 149.9° |
| N4 | C25 | C27 | H27B | 120.0° | 30.0° |
| C5 | C6 | C7 | C11 | 179.5° | 179.9° |
| C5 | C6 | C7 | C8 | 0.8° | 0.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.5° |
| C6 | C5 | C4 | H4 | 69.4° | 0.0° |
| C5 | C6 | C7 | H7 | 179.2° | 180.0° |
| C6 | C5 | C10 | H10 | 179.9° | 179.7° |
| C5 | C6 | C11 | H11 | 90.3° | 90.0° |
| C5 | C6 | C11 | H11A | 149.7° | 150.0° |
| C5 | C6 | C11 | H11B | 29.7° | 30.0° |
| C10 | C5 | C6 | C7 | 0.7° | 0.2° |
| C10 | C5 | C6 | C11 | 178.7° | 179.8° |
| C5 | C10 | C9 | C8 | 0.6° | 0.5° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C5 | C10 | C9 | C12 | 178.6° | 179.7° |
| C10 | C5 | C4 | H4 | 110.5° | 179.8° |
| C26 | N5 | C29 | C30 | 179.1° | 179.8° |
| N5 | C29 | C30 | N7 | 179.8° | 179.4° |
| N5 | C29 | C30 | N8 | 0.6° | 0.6° |
| C29 | N5 | C26 | H26 | 179.8° | 179.6° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C6 | C11 | H11 | 90.2° | 90.1° |
| C7 | C6 | C11 | H11A | 29.8° | 30.0° |
| C7 | C6 | C11 | H11B | 149.8° | 150.0° |
| C11 | C6 | C7 | C8 | 178.7° | 179.9° |
| C11 | C6 | C7 | H7 | 1.3° | 0.1° |
| C6 | C11 | H11 | H11A | 120.0° | 120.0° |
| C6 | C11 | H11 | H11B | 120.0° | 120.0° |
| C6 | C11 | H11A | H11B | 120.0° | 120.0° |
| N6 | C33 | N7 | C30 | 0.4° | 0.0° |
| N6 | C33 | N7 | H33 | 180.0° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.3° |
| C7 | C8 | C9 | C12 | 178.6° | 180.0° |
| N7 | C30 | N8 | C24 | 5.1° | 0.0° |
| N7 | C30 | N8 | C29 | 179.5° | 180.0° |
| N7 | C30 | N8 | HN8 | 125.1° | 180.0° |
| C30 | N7 | C33 | H33 | 179.6° | 179.8° |
| C33 | N7 | C30 | N8 | 179.5° | 180.0° |
| C33 | N7 | C30 | C29 | 0.0° | 0.0° |
| C8 | C9 | C10 | C12 | 179.2° | 179.8° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.4° | 179.7° |
| C24 | N8 | C30 | HN8 | 120.0° | 180.0° |
| N8 | C24 | C28 | H24 | 131.1° | 145.0° |
| C24 | N8 | C30 | C29 | 174.4° | 179.9° |
| N8 | C24 | C2 | H2 | 15.4° | 0.0° |
| N8 | C24 | C2 | H2A | 135.5° | 145.1° |
| N8 | C24 | C28 | H28 | 17.8° | 0.1° |
| N8 | C24 | C28 | H28A | 137.8° | 145.0° |
| C30 | N8 | C24 | C28 | 95.2° | 136.4° |
| C30 | N8 | C24 | H24 | 52.0° | 9.3° |
| C10 | C9 | C8 | H8 | 179.4° | 179.7° |
| C9 | C12 | N2 | HN2 | 8.8° | 4.6° |
| C12 | C9 | C8 | H8 | 1.4° | 0.0° |
| C12 | C9 | C10 | H10 | 1.4° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C18 | C17 | 0.5° | 0.6° |
| C14 | C13 | N2 | HN2 | 20.0° | 145.0° |
| C14 | C13 | C18 | H18 | 179.5° | 179.7° |
| C18 | C13 | C14 | C15 | 0.2° | 0.3° |
| C13 | C18 | C17 | C16 | 0.4° | 0.7° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C13 | C18 | C17 | C19 | 179.8° | 179.7° |
| C18 | C13 | N2 | HN2 | 158.9° | 34.7° |
| C18 | C13 | C14 | H14 | 179.7° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.3° |
| C15 | C16 | C17 | C19 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.8° | 179.7° |
| C16 | C17 | C18 | H18 | 179.6° | 179.7° |
| C18 | C17 | C16 | H16 | 179.9° | 179.7° |
| C19 | C17 | C16 | H16 | 0.1° | 0.0° |
| C19 | C17 | C18 | H18 | 0.2° | 0.0° |
| C22 | C25 | C27 | H27 | 179.3° | 90.0° |
| C22 | C25 | C27 | H27A | 59.4° | 30.0° |
| C22 | C25 | C27 | H27B | 60.7° | 149.9° |
| C28 | C24 | N8 | HN8 | 144.8° | 43.6° |
| C24 | C28 | H28 | H28A | 138.8° | 145.7° |
| C27 | C25 | C22 | H22 | 0.7° | 0.1° |
| C25 | C27 | H27 | H27A | 120.0° | 120.0° |
| C25 | C27 | H27 | H27B | 120.0° | 120.1° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| C29 | C30 | N8 | HN8 | 54.4° | 0.1° |
| H2 | C2 | C24 | H24 | 115.0° | 145.1° |
| H2 | C2 | C28 | H28 | 0.1° | 0.0° |
| H2 | C2 | C28 | H28A | 120.0° | 145.0° |
| H2A | C2 | C24 | H24 | 5.0° | 0.0° |
| H2A | C2 | C28 | H28 | 120.0° | 145.0° |
| H2A | C2 | C28 | H28A | 0.1° | 0.0° |
| H3 | C3 | C4 | H4 | 177.3° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| HN8 | N8 | C24 | H24 | 68.0° | 170.7° |
| H11 | C11 | H11A | H11B | 120.0° | 119.9° |
| H24 | C24 | C28 | H28 | 113.3° | 144.9° |
| H24 | C24 | C28 | H28A | 6.7° | 0.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
