A1BH5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C2 | sing | 1.53Å | 1.53Å | |
| C14 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C2 | C1 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C18 | sing | 1.56Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C18 | C1 | sing | 1.55Å | 1.53Å | |
| C1 | C6 | sing | 1.52Å | 1.53Å | |
| O1 | C21 | sing | 1.36Å | 1.36Å | |
| C21 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.31Å | 1.34Å | Aromatic |
| C19 | C7 | sing | 1.48Å | 1.42Å | |
| C19 | C28 | doub | 1.42Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.42Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| N1 | C9 | doub | 1.33Å | 1.34Å | Aromatic |
| C27 | C26 | doub | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | F1 | sing | 1.35Å | 1.35Å | |
| C9 | N2 | sing | 1.39Å | 1.35Å | |
| N2 | C13 | sing | 1.49Å | 1.48Å | |
| N2 | C10 | sing | 1.48Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C17 | sing | 1.52Å | 1.53Å | |
| C12 | C16 | sing | 1.52Å | 1.53Å | |
| C17 | N3 | sing | 1.47Å | 1.47Å | |
| C16 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C31 | sing | 1.35Å | 1.32Å | |
| C31 | C29 | sing | 1.51Å | 1.53Å | |
| C31 | O2 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| O1 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C2 | C14 | 111.6° | 113.0° |
| C15 | C2 | C3 | 112.9° | 113.8° |
| C15 | C2 | C1 | 111.2° | 113.6° |
| C2 | C15 | H17 | 109.5° | 109.4° |
| C2 | C15 | H18 | 109.5° | 109.4° |
| C2 | C15 | H19 | 109.5° | 109.5° |
| C14 | C2 | C3 | 116.9° | 113.8° |
| C14 | C2 | C1 | 115.2° | 113.9° |
| C2 | C14 | H20 | 109.5° | 109.4° |
| C2 | C14 | H21 | 109.5° | 109.5° |
| C2 | C14 | H22 | 109.4° | 109.4° |
| C3 | C2 | C1 | 86.8° | 86.0° |
| C2 | C3 | C4 | 111.1° | 111.3° |
| C2 | C3 | C18 | 86.1° | 85.7° |
| C2 | C3 | H25 | 115.2° | 114.6° |
| C2 | C1 | C18 | 86.1° | 86.1° |
| C2 | C1 | C6 | 111.3° | 110.9° |
| C2 | C1 | H16 | 116.9° | 116.4° |
| C4 | C3 | C18 | 110.5° | 113.3° |
| C3 | C4 | C5 | 110.3° | 109.5° |
| C4 | C3 | H25 | 115.3° | 113.6° |
| C3 | C4 | H26 | 109.3° | 109.4° |
| C3 | C4 | H27 | 109.2° | 109.5° |
| C3 | C18 | C1 | 87.1° | 85.0° |
| C3 | C18 | H23 | 114.7° | 114.6° |
| C3 | C18 | H24 | 114.7° | 113.9° |
| C18 | C3 | H25 | 115.2° | 115.4° |
| C4 | C5 | C6 | 117.2° | 119.0° |
| C4 | C5 | C7 | 124.6° | 121.6° |
| C5 | C4 | H26 | 109.2° | 108.7° |
| C5 | C4 | H27 | 109.3° | 110.2° |
| C18 | C1 | C6 | 103.8° | 108.2° |
| C18 | C1 | H16 | 117.1° | 116.6° |
| C1 | C18 | H23 | 114.7° | 113.8° |
| C1 | C18 | H24 | 114.7° | 113.9° |
| C1 | C6 | C5 | 117.9° | 116.8° |
| C1 | C6 | N1 | 118.1° | 121.7° |
| C6 | C1 | H16 | 117.0° | 115.1° |
| O1 | C21 | C20 | 120.5° | 119.6° |
| O1 | C21 | C22 | 122.3° | 119.6° |
| C21 | O1 | H34 | 109.5° | 114.0° |
| C20 | C21 | C22 | 117.3° | 120.9° |
| C21 | C20 | C19 | 123.5° | 120.6° |
| C21 | C20 | H28 | 118.3° | 119.7° |
| C21 | C22 | C23 | 120.8° | 119.9° |
| C21 | C22 | H33 | 119.6° | 120.1° |
| C6 | C5 | C7 | 118.2° | 119.4° |
| C5 | C6 | N1 | 124.0° | 121.5° |
| C5 | C7 | C19 | 124.3° | 121.1° |
| C5 | C7 | C8 | 115.8° | 117.8° |
| C20 | C19 | C7 | 116.4° | 120.3° |
| C20 | C19 | C28 | 117.6° | 119.5° |
| C19 | C20 | H28 | 118.2° | 119.7° |
| C22 | C23 | C28 | 120.4° | 119.6° |
| C22 | C23 | C24 | 118.9° | 121.1° |
| C23 | C22 | H33 | 119.6° | 120.0° |
| C6 | N1 | C9 | 120.0° | 121.4° |
| C7 | C19 | C28 | 125.9° | 120.2° |
| C19 | C7 | C8 | 119.8° | 121.1° |
| C19 | C28 | C23 | 120.4° | 119.5° |
| C19 | C28 | C27 | 120.3° | 121.1° |
| C28 | C23 | C24 | 120.7° | 119.3° |
| C23 | C28 | C27 | 119.3° | 119.4° |
| C23 | C24 | C25 | 119.3° | 119.7° |
| C23 | C24 | H32 | 120.4° | 120.2° |
| C7 | C8 | C9 | 124.4° | 119.1° |
| C7 | C8 | F1 | 117.3° | 120.4° |
| C28 | C27 | C26 | 120.7° | 119.8° |
| C28 | C27 | H29 | 119.6° | 120.1° |
| C24 | C25 | C26 | 120.4° | 121.0° |
| C24 | C25 | H31 | 119.8° | 119.5° |
| C25 | C24 | H32 | 120.3° | 120.2° |
| N1 | C9 | C8 | 117.5° | 120.8° |
| N1 | C9 | N2 | 118.2° | 119.6° |
| C27 | C26 | C25 | 119.6° | 120.9° |
| C26 | C27 | H29 | 119.6° | 120.1° |
| C27 | C26 | H30 | 120.2° | 119.5° |
| C25 | C26 | H30 | 120.2° | 119.6° |
| C26 | C25 | H31 | 119.8° | 119.5° |
| C9 | C8 | F1 | 118.2° | 120.4° |
| C8 | C9 | N2 | 124.3° | 119.6° |
| C9 | N2 | C13 | 118.4° | 111.0° |
| C9 | N2 | C10 | 121.0° | 111.0° |
| C13 | N2 | C10 | 108.8° | 106.1° |
| N2 | C13 | C12 | 103.0° | 103.1° |
| N2 | C13 | H10 | 111.1° | 110.7° |
| N2 | C13 | H11 | 111.1° | 110.8° |
| N2 | C10 | C11 | 108.5° | 107.1° |
| N2 | C10 | H14 | 109.7° | 109.9° |
| N2 | C10 | H15 | 109.7° | 110.0° |
| C13 | C12 | C11 | 106.8° | 104.7° |
| C13 | C12 | C17 | 115.9° | 116.7° |
| C13 | C12 | C16 | 114.2° | 116.8° |
| C12 | C13 | H10 | 111.1° | 110.7° |
| C12 | C13 | H11 | 111.1° | 110.7° |
| C10 | C11 | C12 | 102.8° | 104.7° |
| C10 | C11 | H12 | 111.1° | 110.4° |
| C10 | C11 | H13 | 111.1° | 110.5° |
| C11 | C10 | H14 | 109.7° | 109.9° |
| C11 | C10 | H15 | 109.7° | 109.9° |
| C11 | C12 | C17 | 114.4° | 116.9° |
| C11 | C12 | C16 | 116.3° | 116.8° |
| C12 | C11 | H12 | 111.1° | 110.4° |
| C12 | C11 | H13 | 111.1° | 110.4° |
| C17 | C12 | C16 | 88.8° | 84.8° |
| C12 | C17 | N3 | 87.3° | 87.6° |
| C12 | C17 | H6 | 114.7° | 113.5° |
| C12 | C17 | H7 | 114.7° | 113.6° |
| C12 | C16 | N3 | 87.3° | 87.5° |
| C12 | C16 | H8 | 114.7° | 113.5° |
| C12 | C16 | H9 | 114.7° | 113.7° |
| C17 | N3 | C16 | 93.2° | 88.3° |
| C17 | N3 | C31 | 135.2° | 135.9° |
| N3 | C17 | H6 | 114.7° | 113.5° |
| N3 | C17 | H7 | 114.7° | 113.6° |
| C16 | N3 | C31 | 131.6° | 135.9° |
| N3 | C16 | H8 | 114.7° | 113.5° |
| N3 | C16 | H9 | 114.7° | 113.5° |
| N3 | C31 | C29 | 118.7° | 120.0° |
| N3 | C31 | O2 | 121.5° | 120.0° |
| C29 | C31 | O2 | 119.8° | 120.0° |
| C31 | C29 | C30 | 115.1° | 109.5° |
| C31 | C29 | H4 | 108.0° | 109.4° |
| C31 | C29 | H5 | 108.1° | 109.5° |
| C29 | C30 | H1 | 109.5° | 109.4° |
| C29 | C30 | H2 | 109.5° | 109.5° |
| C29 | C30 | H3 | 109.5° | 109.5° |
| C30 | C29 | H4 | 108.0° | 109.5° |
| C30 | C29 | H5 | 108.1° | 109.5° |
| H1 | C30 | H2 | 109.5° | 109.4° |
| H1 | C30 | H3 | 109.4° | 109.5° |
| H2 | C30 | H3 | 109.4° | 109.5° |
| H4 | C29 | H5 | 109.5° | 109.4° |
| H6 | C17 | H7 | 109.5° | 112.8° |
| H8 | C16 | H9 | 109.5° | 112.8° |
| H10 | C13 | H11 | 109.5° | 110.6° |
| H12 | C11 | H13 | 109.5° | 110.4° |
| H14 | C10 | H15 | 109.5° | 109.9° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 113.0° |
| H26 | C4 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C2 | C14 | C3 | 132.1° | 131.8° |
| C15 | C2 | C14 | C1 | 128.1° | 131.6° |
| C15 | C2 | C3 | C1 | 111.7° | 114.1° |
| C15 | C2 | C3 | C4 | 165.3° | 163.3° |
| C15 | C2 | C3 | C18 | 84.2° | 83.4° |
| C15 | C2 | C1 | C18 | 85.9° | 83.4° |
| C15 | C2 | C1 | C6 | 170.8° | 168.7° |
| C15 | C2 | C1 | H16 | 32.6° | 34.4° |
| C2 | C15 | H17 | H18 | 120.0° | 119.9° |
| C2 | C15 | H17 | H19 | 120.0° | 120.0° |
| C2 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | C2 | C14 | H20 | 180.0° | 71.8° |
| C15 | C2 | C14 | H21 | 60.0° | 48.2° |
| C15 | C2 | C14 | H22 | 60.0° | 168.2° |
| C15 | C2 | C3 | H25 | 31.9° | 32.6° |
| C14 | C2 | C3 | C1 | 116.8° | 114.5° |
| C14 | C2 | C3 | C4 | 33.8° | 31.8° |
| C14 | C2 | C3 | C18 | 144.3° | 145.1° |
| C14 | C2 | C1 | C18 | 145.9° | 145.3° |
| C14 | C2 | C1 | C6 | 42.5° | 37.3° |
| C14 | C2 | C1 | H16 | 95.6° | 96.9° |
| C14 | C2 | C15 | H17 | 180.0° | 168.2° |
| C14 | C2 | C15 | H18 | 60.0° | 48.2° |
| C14 | C2 | C15 | H19 | 60.0° | 71.8° |
| C2 | C14 | H20 | H21 | 120.0° | 120.0° |
| C2 | C14 | H20 | H22 | 120.0° | 119.9° |
| C2 | C14 | H21 | H22 | 120.0° | 120.0° |
| C14 | C2 | C3 | H25 | 99.6° | 98.9° |
| C2 | C3 | C4 | C18 | 93.8° | 94.6° |
| C2 | C3 | C4 | H25 | 133.4° | 131.2° |
| C2 | C3 | C18 | H25 | 116.1° | 115.2° |
| C2 | C3 | C4 | C5 | 52.9° | 52.0° |
| C3 | C2 | C1 | C18 | 27.5° | 30.9° |
| C3 | C2 | C1 | C6 | 75.8° | 77.1° |
| C3 | C2 | C1 | H16 | 146.0° | 148.7° |
| C3 | C2 | C15 | H17 | 45.9° | 60.0° |
| C3 | C2 | C15 | H18 | 166.0° | 180.0° |
| C3 | C2 | C15 | H19 | 74.1° | 60.0° |
| C3 | C2 | C14 | H20 | 47.9° | 60.0° |
| C3 | C2 | C14 | H21 | 72.1° | 180.0° |
| C3 | C2 | C14 | H22 | 167.9° | 60.0° |
| C2 | C3 | C18 | H23 | 88.3° | 144.4° |
| C2 | C3 | C18 | H24 | 143.6° | 83.4° |
| C2 | C3 | C4 | H26 | 173.0° | 171.1° |
| C2 | C3 | C4 | H27 | 67.3° | 69.0° |
| C1 | C2 | C3 | C4 | 82.9° | 82.6° |
| C2 | C1 | C18 | C6 | 111.0° | 110.7° |
| C2 | C1 | C18 | H16 | 118.4° | 117.7° |
| C2 | C1 | C6 | H16 | 138.1° | 134.9° |
| C2 | C1 | C6 | C5 | 43.0° | 45.0° |
| C2 | C1 | C6 | N1 | 138.7° | 135.2° |
| C1 | C2 | C15 | H17 | 49.8° | 36.3° |
| C1 | C2 | C15 | H18 | 70.2° | 83.6° |
| C1 | C2 | C15 | H19 | 169.8° | 156.4° |
| C1 | C2 | C14 | H20 | 51.9° | 156.5° |
| C1 | C2 | C14 | H21 | 171.9° | 83.4° |
| C1 | C2 | C14 | H22 | 68.1° | 36.6° |
| C2 | C1 | C18 | H23 | 88.4° | 145.2° |
| C2 | C1 | C18 | H24 | 143.5° | 83.4° |
| C1 | C2 | C3 | H25 | 143.6° | 146.7° |
| C4 | C3 | C18 | H25 | 132.8° | 133.4° |
| C3 | C4 | C5 | H26 | 120.1° | 119.5° |
| C3 | C4 | C5 | H27 | 120.1° | 120.6° |
| C4 | C3 | C18 | C1 | 83.5° | 80.8° |
| C3 | C4 | C5 | C6 | 5.8° | 5.3° |
| C3 | C4 | C5 | C7 | 174.5° | 176.5° |
| C4 | C3 | C18 | H23 | 160.6° | 33.1° |
| C4 | C3 | C18 | H24 | 32.5° | 165.3° |
| C3 | C4 | H26 | H27 | 119.6° | 120.0° |
| C18 | C3 | C4 | C5 | 40.9° | 42.6° |
| C3 | C18 | C1 | H23 | 115.9° | 114.7° |
| C3 | C18 | C1 | H24 | 116.0° | 113.9° |
| C3 | C18 | C1 | C6 | 83.4° | 80.3° |
| C3 | C18 | C1 | H16 | 146.0° | 148.2° |
| C3 | C18 | H23 | H24 | 130.7° | 132.6° |
| C18 | C3 | C4 | H26 | 79.2° | 76.5° |
| C18 | C3 | C4 | H27 | 161.1° | 163.6° |
| C4 | C5 | C6 | C1 | 1.7° | 2.6° |
| C4 | C5 | C6 | C7 | 179.6° | 178.2° |
| C4 | C5 | C6 | N1 | 179.9° | 177.6° |
| C4 | C5 | C7 | C19 | 3.0° | 0.3° |
| C4 | C5 | C7 | C8 | 179.8° | 177.7° |
| C5 | C4 | C3 | H25 | 173.7° | 176.8° |
| C5 | C4 | H26 | H27 | 119.6° | 120.4° |
| C18 | C1 | C6 | H16 | 130.6° | 132.4° |
| C18 | C1 | C6 | C5 | 48.3° | 47.8° |
| C18 | C1 | C6 | N1 | 130.1° | 132.0° |
| C1 | C18 | H23 | H24 | 130.7° | 131.8° |
| C1 | C18 | C3 | H25 | 143.7° | 145.8° |
| C1 | C6 | C5 | N1 | 178.2° | 179.8° |
| C1 | C6 | C5 | C7 | 178.7° | 179.3° |
| C1 | C6 | N1 | C9 | 178.2° | 179.6° |
| C6 | C1 | C18 | H23 | 160.7° | 34.4° |
| C6 | C1 | C18 | H24 | 32.6° | 165.8° |
| O1 | C21 | C20 | C22 | 179.8° | 179.9° |
| O1 | C21 | C20 | C19 | 179.2° | 179.9° |
| O1 | C21 | C22 | C23 | 179.7° | 179.8° |
| O1 | C21 | C20 | H28 | 0.8° | 0.1° |
| O1 | C21 | C22 | H33 | 0.3° | 0.0° |
| C21 | C20 | C19 | H28 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.2° |
| C21 | C20 | C19 | C7 | 177.9° | 180.0° |
| C21 | C20 | C19 | C28 | 0.8° | 0.4° |
| C20 | C21 | C22 | H33 | 179.9° | 179.9° |
| C20 | C21 | O1 | H34 | 180.0° | 89.9° |
| C22 | C21 | C20 | C19 | 0.7° | 0.1° |
| C21 | C22 | C23 | H33 | 180.0° | 179.7° |
| C21 | C22 | C23 | C28 | 0.3° | 0.2° |
| C21 | C22 | C23 | C24 | 179.6° | 179.7° |
| C22 | C21 | C20 | H28 | 179.4° | 180.0° |
| C22 | C21 | O1 | H34 | 0.2° | 90.0° |
| C6 | C5 | C7 | C19 | 176.6° | 178.4° |
| C6 | C5 | C7 | C8 | 0.2° | 0.4° |
| C5 | C6 | N1 | C9 | 0.0° | 0.2° |
| C5 | C6 | C1 | H16 | 178.9° | 179.9° |
| C6 | C5 | C4 | H26 | 126.0° | 124.9° |
| C6 | C5 | C4 | H27 | 114.3° | 115.2° |
| C5 | C7 | C19 | C20 | 85.0° | 90.4° |
| C7 | C5 | C6 | N1 | 0.5° | 0.6° |
| C5 | C7 | C19 | C8 | 176.6° | 177.9° |
| C5 | C7 | C19 | C28 | 98.1° | 90.0° |
| C5 | C7 | C8 | C9 | 0.6° | 0.0° |
| C5 | C7 | C8 | F1 | 177.8° | 179.9° |
| C7 | C5 | C4 | H26 | 54.4° | 57.0° |
| C7 | C5 | C4 | H27 | 65.4° | 62.9° |
| C20 | C19 | C7 | C28 | 176.9° | 179.6° |
| C20 | C19 | C28 | C23 | 0.3° | 0.3° |
| C20 | C19 | C7 | C8 | 91.6° | 87.5° |
| C20 | C19 | C28 | C27 | 179.5° | 179.7° |
| C22 | C23 | C28 | C19 | 0.2° | 0.0° |
| C22 | C23 | C28 | C24 | 179.3° | 180.0° |
| C22 | C23 | C28 | C27 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.4° | 180.0° |
| C22 | C23 | C24 | H32 | 0.6° | 0.0° |
| C6 | N1 | C9 | C8 | 0.7° | 0.2° |
| C6 | N1 | C9 | N2 | 179.7° | 180.0° |
| N1 | C6 | C1 | H16 | 0.6° | 0.3° |
| C7 | C19 | C28 | C23 | 177.2° | 179.9° |
| C7 | C19 | C28 | C27 | 2.6° | 0.1° |
| C19 | C7 | C8 | C9 | 177.5° | 178.0° |
| C19 | C7 | C8 | F1 | 5.3° | 2.1° |
| C7 | C19 | C20 | H28 | 2.1° | 0.2° |
| C19 | C28 | C23 | C27 | 179.8° | 180.0° |
| C19 | C28 | C23 | C24 | 179.5° | 180.0° |
| C28 | C19 | C7 | C8 | 85.2° | 92.1° |
| C19 | C28 | C27 | C26 | 179.4° | 180.0° |
| C28 | C19 | C20 | H28 | 179.3° | 179.8° |
| C19 | C28 | C27 | H29 | 0.6° | 0.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.1° |
| C23 | C28 | C27 | C26 | 0.8° | 0.1° |
| C23 | C28 | C27 | H29 | 179.3° | 180.0° |
| C28 | C23 | C24 | H32 | 179.9° | 179.9° |
| C28 | C23 | C22 | H33 | 179.7° | 179.9° |
| C24 | C23 | C28 | C27 | 0.7° | 0.0° |
| C23 | C24 | C25 | H32 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.1° |
| C23 | C24 | C25 | H31 | 179.6° | 180.0° |
| C24 | C23 | C22 | H33 | 0.4° | 0.0° |
| C7 | C8 | C9 | N1 | 1.0° | 0.3° |
| C7 | C8 | C9 | F1 | 177.2° | 179.9° |
| C7 | C8 | C9 | N2 | 179.4° | 179.8° |
| C28 | C27 | C26 | H29 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.1° |
| C28 | C27 | C26 | H30 | 179.8° | 180.0° |
| C24 | C25 | C26 | C27 | 0.4° | 0.0° |
| C24 | C25 | C26 | H31 | 180.0° | 180.0° |
| C24 | C25 | C26 | H30 | 179.6° | 180.0° |
| N1 | C9 | C8 | N2 | 179.6° | 179.9° |
| N1 | C9 | C8 | F1 | 178.2° | 179.6° |
| N1 | C9 | N2 | C13 | 8.8° | 0.2° |
| N1 | C9 | N2 | C10 | 147.6° | 117.9° |
| C27 | C26 | C25 | H30 | 180.0° | 179.9° |
| C27 | C26 | C25 | H31 | 179.6° | 179.9° |
| C25 | C26 | C27 | H29 | 179.8° | 180.0° |
| C26 | C25 | C24 | H32 | 179.5° | 180.0° |
| C8 | C9 | N2 | C13 | 170.8° | 180.0° |
| C8 | C9 | N2 | C10 | 31.9° | 62.2° |
| F1 | C8 | C9 | N2 | 2.2° | 0.3° |
| C9 | N2 | C13 | C10 | 143.4° | 120.7° |
| C9 | N2 | C13 | C12 | 168.5° | 158.2° |
| C9 | N2 | C10 | C11 | 151.0° | 145.6° |
| C9 | N2 | C13 | H10 | 49.5° | 83.4° |
| C9 | N2 | C13 | H11 | 72.6° | 39.8° |
| C9 | N2 | C10 | H14 | 89.1° | 26.3° |
| C9 | N2 | C10 | H15 | 31.2° | 94.9° |
| N2 | C13 | C12 | H10 | 119.0° | 118.4° |
| N2 | C13 | C12 | H11 | 118.9° | 118.5° |
| C13 | N2 | C10 | C11 | 8.7° | 24.9° |
| N2 | C13 | C12 | C11 | 32.6° | 35.6° |
| N2 | C13 | C12 | C17 | 161.4° | 166.6° |
| N2 | C13 | C12 | C16 | 97.5° | 95.3° |
| N2 | C13 | H10 | H11 | 123.0° | 123.3° |
| C13 | N2 | C10 | H14 | 128.6° | 94.4° |
| C13 | N2 | C10 | H15 | 111.1° | 144.4° |
| C10 | N2 | C13 | C12 | 25.1° | 37.5° |
| N2 | C10 | C11 | H14 | 119.8° | 119.3° |
| N2 | C10 | C11 | H15 | 119.8° | 119.5° |
| N2 | C10 | C11 | C12 | 11.5° | 2.2° |
| C10 | N2 | C13 | H10 | 93.9° | 155.9° |
| C10 | N2 | C13 | H11 | 144.0° | 80.9° |
| N2 | C10 | C11 | H12 | 130.4° | 121.0° |
| N2 | C10 | C11 | H13 | 107.4° | 116.7° |
| N2 | C10 | H14 | H15 | 120.4° | 121.3° |
| C13 | C12 | C11 | C10 | 27.1° | 20.5° |
| C13 | C12 | C11 | C17 | 129.7° | 130.9° |
| C13 | C12 | C11 | C16 | 128.8° | 131.0° |
| C13 | C12 | C17 | C16 | 116.4° | 117.5° |
| C13 | C12 | C17 | N3 | 130.1° | 92.3° |
| C13 | C12 | C16 | N3 | 131.7° | 92.1° |
| C13 | C12 | C17 | H6 | 113.9° | 22.4° |
| C13 | C12 | C17 | H7 | 14.1° | 153.0° |
| C13 | C12 | C16 | H8 | 15.7° | 153.3° |
| C13 | C12 | C16 | H9 | 112.3° | 22.5° |
| C12 | C13 | H10 | H11 | 123.0° | 123.1° |
| C13 | C12 | C11 | H12 | 146.0° | 98.3° |
| C13 | C12 | C11 | H13 | 91.9° | 139.3° |
| C10 | C11 | C12 | H12 | 118.9° | 118.8° |
| C10 | C11 | C12 | H13 | 118.9° | 118.9° |
| C10 | C11 | C12 | C17 | 156.7° | 151.3° |
| C10 | C11 | C12 | C16 | 101.7° | 110.5° |
| C10 | C11 | H12 | H13 | 123.1° | 122.4° |
| C11 | C10 | H14 | H15 | 120.5° | 121.2° |
| C11 | C12 | C17 | C16 | 118.5° | 117.4° |
| C11 | C12 | C17 | N3 | 104.9° | 142.7° |
| C11 | C12 | C16 | N3 | 103.1° | 142.8° |
| C11 | C12 | C17 | H6 | 11.2° | 102.7° |
| C11 | C12 | C17 | H7 | 139.1° | 28.0° |
| C11 | C12 | C16 | H8 | 140.8° | 28.2° |
| C11 | C12 | C16 | H9 | 12.9° | 102.5° |
| C11 | C12 | C13 | H10 | 86.4° | 154.0° |
| C11 | C12 | C13 | H11 | 151.5° | 82.9° |
| C12 | C11 | H12 | H13 | 123.1° | 122.4° |
| C12 | C11 | C10 | H14 | 108.3° | 117.1° |
| C12 | C11 | C10 | H15 | 131.4° | 121.7° |
| C12 | C17 | N3 | H6 | 116.0° | 114.6° |
| C12 | C17 | N3 | H7 | 116.0° | 114.8° |
| C17 | C12 | C16 | N3 | 13.7° | 25.3° |
| C12 | C17 | N3 | C31 | 163.3° | 154.2° |
| C12 | C17 | H6 | H7 | 130.6° | 131.1° |
| C17 | C12 | C16 | H8 | 102.3° | 89.3° |
| C17 | C12 | C16 | H9 | 129.7° | 139.9° |
| C17 | C12 | C13 | H10 | 42.4° | 75.0° |
| C17 | C12 | C13 | H11 | 79.7° | 48.0° |
| C17 | C12 | C11 | H12 | 84.3° | 32.6° |
| C17 | C12 | C11 | H13 | 37.8° | 89.8° |
| C12 | C16 | N3 | H8 | 116.0° | 114.6° |
| C12 | C16 | N3 | H9 | 116.0° | 114.8° |
| C12 | C16 | N3 | C31 | 163.4° | 154.2° |
| C16 | C12 | C17 | H6 | 129.7° | 139.9° |
| C16 | C12 | C17 | H7 | 102.3° | 89.4° |
| C12 | C16 | H8 | H9 | 130.6° | 131.2° |
| C16 | C12 | C13 | H10 | 143.6° | 23.1° |
| C16 | C12 | C13 | H11 | 21.5° | 146.2° |
| C16 | C12 | C11 | H12 | 17.2° | 130.7° |
| C16 | C12 | C11 | H13 | 139.3° | 8.4° |
| C17 | N3 | C16 | C31 | 177.6° | 179.8° |
| C17 | N3 | C31 | C29 | 0.3° | 180.0° |
| C17 | N3 | C31 | O2 | 178.2° | 0.0° |
| N3 | C17 | H6 | H7 | 130.6° | 131.0° |
| C17 | N3 | C16 | H8 | 101.8° | 88.6° |
| C17 | N3 | C16 | H9 | 130.2° | 140.8° |
| C16 | N3 | C31 | C29 | 176.3° | 0.3° |
| C16 | N3 | C31 | O2 | 5.2° | 179.6° |
| C16 | N3 | C17 | H6 | 130.2° | 140.7° |
| C16 | N3 | C17 | H7 | 101.8° | 88.7° |
| N3 | C16 | H8 | H9 | 130.6° | 131.0° |
| N3 | C31 | C29 | O2 | 178.5° | 180.0° |
| N3 | C31 | C29 | C30 | 111.4° | 180.0° |
| N3 | C31 | C29 | H4 | 127.8° | 59.9° |
| N3 | C31 | C29 | H5 | 9.4° | 60.0° |
| C31 | N3 | C17 | H6 | 47.3° | 39.6° |
| C31 | N3 | C17 | H7 | 80.7° | 91.0° |
| C31 | N3 | C16 | H8 | 80.6° | 91.2° |
| C31 | N3 | C16 | H9 | 47.4° | 39.4° |
| C31 | C29 | C30 | H4 | 120.8° | 120.0° |
| C31 | C29 | C30 | H5 | 120.8° | 120.0° |
| C31 | C29 | C30 | H1 | 180.0° | 180.0° |
| C31 | C29 | C30 | H2 | 60.0° | 60.0° |
| C31 | C29 | C30 | H3 | 60.0° | 60.0° |
| C31 | C29 | H4 | H5 | 117.5° | 119.9° |
| O2 | C31 | C29 | C30 | 67.1° | 0.0° |
| O2 | C31 | C29 | H4 | 53.7° | 120.0° |
| O2 | C31 | C29 | H5 | 172.0° | 120.1° |
| C29 | C30 | H1 | H2 | 120.0° | 120.0° |
| C29 | C30 | H1 | H3 | 120.0° | 120.0° |
| C29 | C30 | H2 | H3 | 120.0° | 120.0° |
| C30 | C29 | H4 | H5 | 117.4° | 120.0° |
| H1 | C30 | H2 | H3 | 120.0° | 120.0° |
| H1 | C30 | C29 | H4 | 59.2° | 60.0° |
| H1 | C30 | C29 | H5 | 59.2° | 60.0° |
| H2 | C30 | C29 | H4 | 179.2° | 60.0° |
| H2 | C30 | C29 | H5 | 60.9° | 179.9° |
| H3 | C30 | C29 | H4 | 60.8° | 180.0° |
| H3 | C30 | C29 | H5 | 179.2° | 60.0° |
| H12 | C11 | C10 | H14 | 10.6° | 1.6° |
| H12 | C11 | C10 | H15 | 109.7° | 119.5° |
| H13 | C11 | C10 | H14 | 132.8° | 124.0° |
| H13 | C11 | C10 | H15 | 12.5° | 2.8° |
| H16 | C1 | C18 | H23 | 30.0° | 97.1° |
| H16 | C1 | C18 | H24 | 98.1° | 34.3° |
| H17 | C15 | H18 | H19 | 120.0° | 120.1° |
| H20 | C14 | H21 | H22 | 120.0° | 120.0° |
| H23 | C18 | C3 | H25 | 27.7° | 100.3° |
| H24 | C18 | C3 | H25 | 100.4° | 31.9° |
| H25 | C3 | C4 | H26 | 53.6° | 57.7° |
| H25 | C3 | C4 | H27 | 66.1° | 62.2° |
| H29 | C27 | C26 | H30 | 0.2° | 0.0° |
| H30 | C26 | C25 | H31 | 0.4° | 0.0° |
| H31 | C25 | C24 | H32 | 0.5° | 0.0° |
