B4I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | N20 | doub | 1.22Å | 1.22Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| O25 | C23 | doub | 1.21Å | 1.29Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| N20 | C19 | sing | 1.48Å | 1.45Å | |
| N20 | O22 | sing | 1.22Å | 1.22Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| O29 | C28 | sing | 1.43Å | 1.43Å | |
| C23 | C17 | sing | 1.48Å | 1.50Å | |
| C23 | O24 | sing | 1.35Å | 1.23Å | |
| C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | O26 | sing | 1.43Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| N12 | C7 | sing | 1.47Å | 1.48Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C27 | O26 | sing | 1.43Å | 1.45Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C30 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.52Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| CL37 | C32 | sing | 1.74Å | 1.74Å | |
| C30 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | CL36 | sing | 1.74Å | 1.74Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C31 | H9 | sing | 1.08Å | 1.08Å | |
| C35 | H10 | sing | 1.08Å | 1.08Å | |
| C33 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| O24 | H26 | sing | 0.97Å | 0.95Å | |
| O29 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | N20 | C19 | 118.0° | 120.0° |
| O21 | N20 | O22 | 123.7° | 120.1° |
| C9 | C10 | C11 | 109.7° | 109.3° |
| C10 | C9 | C8 | 110.3° | 109.2° |
| C9 | C10 | H12 | 109.4° | 109.5° |
| C9 | C10 | H13 | 109.4° | 109.5° |
| C10 | C9 | H14 | 109.2° | 109.5° |
| C10 | C9 | H15 | 109.2° | 109.6° |
| C10 | C11 | N12 | 113.0° | 109.6° |
| C11 | C10 | H12 | 109.4° | 109.5° |
| C11 | C10 | H13 | 109.4° | 109.5° |
| C10 | C11 | H16 | 108.6° | 109.5° |
| C10 | C11 | H17 | 108.6° | 109.5° |
| C9 | C8 | O26 | 110.6° | 109.5° |
| C9 | C8 | C7 | 112.3° | 109.2° |
| C8 | C9 | H14 | 109.3° | 109.5° |
| C8 | C9 | H15 | 109.3° | 109.5° |
| C9 | C8 | H19 | 109.6° | 109.5° |
| O25 | C23 | C17 | 116.1° | 120.0° |
| O25 | C23 | O24 | 123.2° | 120.0° |
| C11 | N12 | C7 | 113.2° | 111.2° |
| C11 | N12 | C13 | 109.7° | 111.0° |
| N12 | C11 | H16 | 108.6° | 109.4° |
| N12 | C11 | H17 | 108.6° | 109.4° |
| C19 | N20 | O22 | 118.3° | 119.9° |
| N20 | C19 | C18 | 115.7° | 120.0° |
| N20 | C19 | C14 | 121.0° | 119.9° |
| C19 | C18 | C17 | 119.6° | 119.9° |
| C18 | C19 | C14 | 123.3° | 120.1° |
| C19 | C18 | H8 | 120.2° | 120.1° |
| C18 | C17 | C23 | 121.3° | 120.2° |
| C18 | C17 | C16 | 118.5° | 119.7° |
| C17 | C18 | H8 | 120.2° | 120.0° |
| O29 | C28 | C27 | 110.1° | 109.4° |
| O29 | C28 | H22 | 109.3° | 109.5° |
| O29 | C28 | H23 | 109.3° | 109.4° |
| C28 | O29 | H27 | 109.5° | 114.0° |
| C17 | C23 | O24 | 119.9° | 120.0° |
| C23 | C17 | C16 | 120.2° | 120.1° |
| C23 | O24 | H26 | 109.5° | 117.0° |
| C19 | C14 | C13 | 123.9° | 119.8° |
| C19 | C14 | C15 | 116.0° | 120.3° |
| C17 | C16 | C15 | 120.8° | 119.8° |
| C17 | C16 | H4 | 119.6° | 120.1° |
| O26 | C8 | C7 | 104.5° | 109.5° |
| C8 | O26 | C27 | 115.7° | 114.0° |
| O26 | C8 | H19 | 110.5° | 109.6° |
| C8 | C7 | N12 | 110.5° | 109.6° |
| C8 | C7 | C4 | 109.4° | 109.4° |
| C8 | C7 | H18 | 107.1° | 109.5° |
| C7 | C8 | H19 | 109.3° | 109.6° |
| C7 | N12 | C13 | 109.1° | 111.0° |
| N12 | C7 | C4 | 114.6° | 109.5° |
| N12 | C7 | H18 | 107.7° | 109.5° |
| N12 | C13 | C14 | 111.7° | 109.4° |
| N12 | C13 | H20 | 108.9° | 109.5° |
| N12 | C13 | H21 | 108.9° | 109.5° |
| O26 | C27 | C28 | 102.6° | 109.5° |
| O26 | C27 | C30 | 112.7° | 109.5° |
| O26 | C27 | H24 | 110.4° | 109.5° |
| C28 | C27 | C30 | 112.0° | 109.5° |
| C27 | C28 | H22 | 109.3° | 109.5° |
| C27 | C28 | H23 | 109.3° | 109.4° |
| C28 | C27 | H24 | 109.4° | 109.5° |
| C27 | C30 | C31 | 119.8° | 120.0° |
| C27 | C30 | C35 | 121.0° | 120.0° |
| C30 | C27 | H24 | 109.5° | 109.4° |
| C13 | C14 | C15 | 120.1° | 119.8° |
| C14 | C13 | H20 | 108.9° | 109.5° |
| C14 | C13 | H21 | 108.9° | 109.5° |
| C14 | C15 | C16 | 121.8° | 120.2° |
| C14 | C15 | H7 | 119.1° | 119.9° |
| C15 | C16 | H4 | 119.6° | 120.1° |
| C16 | C15 | H7 | 119.1° | 119.9° |
| C7 | C4 | C5 | 120.0° | 120.0° |
| C7 | C4 | C3 | 121.6° | 120.0° |
| C4 | C7 | H18 | 107.3° | 109.4° |
| C30 | C31 | C32 | 119.6° | 120.0° |
| C31 | C30 | C35 | 119.2° | 120.0° |
| C30 | C31 | H9 | 120.2° | 120.0° |
| C31 | C32 | CL37 | 118.9° | 120.0° |
| C31 | C32 | C33 | 122.1° | 120.0° |
| C32 | C31 | H9 | 120.2° | 120.0° |
| CL37 | C32 | C33 | 119.0° | 120.0° |
| C30 | C35 | C34 | 119.5° | 120.0° |
| C30 | C35 | H10 | 120.3° | 120.0° |
| C32 | C33 | C34 | 117.4° | 120.0° |
| C32 | C33 | H11 | 121.3° | 120.1° |
| C5 | C4 | C3 | 118.4° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | H6 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.6° | 120.0° |
| C4 | C3 | H5 | 119.7° | 120.1° |
| C35 | C34 | C33 | 121.9° | 120.0° |
| C35 | C34 | CL36 | 119.1° | 120.0° |
| C34 | C35 | H10 | 120.2° | 120.0° |
| C5 | C6 | C1 | 120.3° | 120.0° |
| C5 | C6 | H3 | 119.8° | 120.0° |
| C6 | C5 | H6 | 119.7° | 120.0° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H5 | 119.7° | 120.0° |
| C33 | C34 | CL36 | 118.4° | 120.0° |
| C34 | C33 | H11 | 121.3° | 120.0° |
| C6 | C1 | C2 | 119.7° | 120.0° |
| C6 | C1 | H1 | 120.2° | 120.0° |
| C1 | C6 | H3 | 119.9° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.6° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | N20 | C19 | O22 | 178.6° | 179.9° |
| O21 | N20 | C19 | C18 | 64.5° | 172.0° |
| O21 | N20 | C19 | C14 | 116.2° | 7.1° |
| C9 | C10 | C11 | H12 | 120.1° | 120.0° |
| C9 | C10 | C11 | H13 | 120.0° | 120.0° |
| C10 | C9 | C8 | H14 | 120.1° | 119.9° |
| C10 | C9 | C8 | H15 | 120.1° | 119.9° |
| C9 | C10 | C11 | N12 | 55.8° | 59.2° |
| C10 | C9 | C8 | O26 | 60.8° | 62.3° |
| C10 | C9 | C8 | C7 | 55.5° | 57.6° |
| C9 | C10 | H12 | H13 | 119.9° | 120.1° |
| C10 | C9 | H14 | H15 | 119.6° | 120.2° |
| C9 | C10 | C11 | H16 | 64.7° | 60.9° |
| C9 | C10 | C11 | H17 | 176.3° | 179.2° |
| C10 | C9 | C8 | H19 | 177.2° | 177.6° |
| C11 | C10 | C9 | C8 | 55.6° | 57.6° |
| C10 | C11 | N12 | H16 | 120.5° | 120.0° |
| C10 | C11 | N12 | H17 | 120.5° | 120.1° |
| C10 | C11 | N12 | C7 | 55.1° | 61.7° |
| C10 | C11 | N12 | C13 | 177.2° | 174.2° |
| C11 | C10 | H12 | H13 | 119.9° | 120.1° |
| C11 | C10 | C9 | H14 | 175.7° | 177.5° |
| C11 | C10 | C9 | H15 | 64.6° | 62.2° |
| C10 | C11 | H16 | H17 | 118.4° | 120.0° |
| C9 | C8 | O26 | C7 | 121.1° | 119.7° |
| C9 | C8 | O26 | H19 | 121.5° | 120.1° |
| C9 | C8 | C7 | H19 | 121.8° | 119.9° |
| C9 | C8 | C7 | N12 | 53.1° | 59.2° |
| C9 | C8 | O26 | C27 | 79.5° | 94.7° |
| C9 | C8 | C7 | C4 | 179.9° | 179.2° |
| C8 | C9 | C10 | H12 | 175.6° | 177.6° |
| C8 | C9 | C10 | H13 | 64.4° | 62.3° |
| C8 | C9 | H14 | H15 | 119.6° | 120.1° |
| C9 | C8 | C7 | H18 | 64.0° | 60.9° |
| O25 | C23 | C17 | C18 | 9.4° | 0.1° |
| O25 | C23 | C17 | O24 | 169.6° | 179.9° |
| O25 | C23 | C17 | C16 | 172.0° | 180.0° |
| O25 | C23 | O24 | H26 | 0.0° | 0.1° |
| C11 | N12 | C7 | C8 | 52.2° | 61.7° |
| C11 | N12 | C7 | C13 | 122.5° | 124.2° |
| C11 | N12 | C13 | C14 | 62.9° | 53.3° |
| C11 | N12 | C7 | C4 | 176.3° | 178.3° |
| N12 | C11 | C10 | H12 | 175.8° | 179.1° |
| N12 | C11 | C10 | H13 | 64.2° | 60.8° |
| N12 | C11 | H16 | H17 | 118.4° | 119.9° |
| C11 | N12 | C7 | H18 | 64.4° | 58.3° |
| C11 | N12 | C13 | H20 | 176.7° | 173.3° |
| C11 | N12 | C13 | H21 | 57.4° | 66.7° |
| N20 | C19 | C18 | C14 | 179.2° | 179.1° |
| N20 | C19 | C18 | C17 | 178.3° | 180.0° |
| N20 | C19 | C14 | C13 | 3.0° | 0.3° |
| N20 | C19 | C14 | C15 | 179.0° | 179.8° |
| N20 | C19 | C18 | H8 | 1.7° | 0.9° |
| O22 | N20 | C19 | C18 | 116.9° | 8.1° |
| O22 | N20 | C19 | C14 | 62.4° | 172.8° |
| C19 | C18 | C17 | H8 | 180.0° | 179.1° |
| C19 | C18 | C17 | C23 | 178.6° | 179.5° |
| C19 | C18 | C17 | C16 | 2.7° | 0.6° |
| C18 | C19 | C14 | C13 | 177.8° | 179.4° |
| C18 | C19 | C14 | C15 | 1.8° | 0.7° |
| C18 | C17 | C23 | C16 | 178.6° | 179.9° |
| C18 | C17 | C23 | O24 | 179.0° | 180.0° |
| C17 | C18 | C19 | C14 | 2.5° | 0.9° |
| C18 | C17 | C16 | C15 | 2.5° | 0.0° |
| C18 | C17 | C16 | H4 | 177.5° | 179.7° |
| O29 | C28 | C27 | O26 | 62.8° | 63.4° |
| O29 | C28 | C27 | H22 | 120.1° | 120.0° |
| O29 | C28 | C27 | H23 | 120.1° | 119.9° |
| O29 | C28 | C27 | C30 | 176.0° | 56.6° |
| O29 | C28 | H22 | H23 | 119.7° | 120.0° |
| O29 | C28 | C27 | H24 | 54.4° | 176.6° |
| C23 | C17 | C16 | C15 | 178.9° | 180.0° |
| C23 | C17 | C16 | H4 | 1.2° | 0.2° |
| C23 | C17 | C18 | H8 | 1.4° | 0.4° |
| C17 | C23 | O24 | H26 | 168.8° | 180.0° |
| O24 | C23 | C17 | C16 | 2.4° | 0.0° |
| C19 | C14 | C13 | N12 | 109.5° | 89.9° |
| C19 | C14 | C13 | C15 | 175.8° | 179.9° |
| C19 | C14 | C15 | C16 | 1.4° | 0.1° |
| C19 | C14 | C15 | H7 | 178.5° | 179.9° |
| C14 | C19 | C18 | H8 | 177.5° | 180.0° |
| C19 | C14 | C13 | H20 | 130.2° | 150.1° |
| C19 | C14 | C13 | H21 | 10.9° | 30.1° |
| C17 | C16 | C15 | C14 | 1.9° | 0.2° |
| C17 | C16 | C15 | H4 | 180.0° | 179.8° |
| C17 | C16 | C15 | H7 | 178.1° | 179.7° |
| C16 | C17 | C18 | H8 | 177.3° | 179.7° |
| O26 | C8 | C7 | H19 | 118.2° | 120.2° |
| O26 | C8 | C7 | N12 | 66.9° | 60.7° |
| C8 | O26 | C27 | C28 | 168.0° | 94.4° |
| C8 | O26 | C27 | C30 | 71.3° | 145.5° |
| O26 | C8 | C7 | C4 | 60.2° | 59.3° |
| O26 | C8 | C9 | H14 | 59.3° | 57.6° |
| O26 | C8 | C9 | H15 | 179.1° | 177.8° |
| O26 | C8 | C7 | H18 | 176.1° | 179.2° |
| C8 | O26 | C27 | H24 | 51.5° | 25.5° |
| C8 | C7 | N12 | C4 | 124.1° | 120.0° |
| C8 | C7 | N12 | H18 | 116.6° | 120.0° |
| C8 | C7 | N12 | C13 | 174.7° | 174.1° |
| C7 | C8 | O26 | C27 | 159.4° | 145.6° |
| C8 | C7 | C4 | H18 | 115.8° | 119.9° |
| C8 | C7 | C4 | C5 | 85.9° | 98.1° |
| C8 | C7 | C4 | C3 | 92.2° | 82.3° |
| C7 | C8 | C9 | H14 | 175.6° | 177.5° |
| C7 | C8 | C9 | H15 | 64.6° | 62.3° |
| C7 | N12 | C13 | C14 | 172.5° | 70.9° |
| N12 | C7 | C4 | H18 | 119.5° | 120.0° |
| N12 | C7 | C4 | C5 | 149.4° | 141.8° |
| N12 | C7 | C4 | C3 | 32.5° | 37.8° |
| C7 | N12 | C11 | H16 | 65.5° | 58.3° |
| C7 | N12 | C11 | H17 | 175.6° | 178.2° |
| N12 | C7 | C8 | H19 | 174.9° | 179.1° |
| C7 | N12 | C13 | H20 | 52.1° | 49.1° |
| C7 | N12 | C13 | H21 | 67.2° | 169.1° |
| N12 | C13 | C14 | H20 | 120.3° | 120.0° |
| N12 | C13 | C14 | H21 | 120.3° | 120.0° |
| N12 | C13 | C14 | C15 | 66.3° | 90.0° |
| C13 | N12 | C7 | C4 | 61.2° | 54.1° |
| C13 | N12 | C11 | H16 | 56.7° | 65.8° |
| C13 | N12 | C11 | H17 | 62.3° | 54.1° |
| C13 | N12 | C7 | H18 | 58.0° | 65.9° |
| N12 | C13 | H20 | H21 | 119.0° | 120.0° |
| O26 | C27 | C28 | C30 | 121.1° | 120.0° |
| O26 | C27 | C28 | H24 | 117.2° | 120.0° |
| O26 | C27 | C30 | H24 | 123.3° | 120.0° |
| O26 | C27 | C30 | C31 | 131.8° | 140.0° |
| O26 | C27 | C30 | C35 | 49.9° | 40.0° |
| C27 | O26 | C8 | H19 | 41.9° | 25.4° |
| O26 | C27 | C28 | H22 | 57.2° | 56.6° |
| O26 | C27 | C28 | H23 | 177.0° | 176.6° |
| C28 | C27 | C30 | H24 | 121.6° | 120.0° |
| C28 | C27 | C30 | C31 | 113.1° | 100.0° |
| C28 | C27 | C30 | C35 | 65.3° | 80.0° |
| C27 | C28 | H22 | H23 | 119.7° | 120.0° |
| C27 | C28 | O29 | H27 | 180.0° | 180.0° |
| C27 | C30 | C31 | C35 | 178.4° | 180.0° |
| C27 | C30 | C31 | C32 | 179.8° | 180.0° |
| C27 | C30 | C35 | C34 | 179.7° | 180.0° |
| C27 | C30 | C31 | H9 | 0.2° | 0.3° |
| C27 | C30 | C35 | H10 | 0.3° | 0.0° |
| C30 | C27 | C28 | H22 | 63.9° | 176.6° |
| C30 | C27 | C28 | H23 | 55.9° | 63.3° |
| C13 | C14 | C15 | C16 | 177.6° | 180.0° |
| C13 | C14 | C15 | H7 | 2.4° | 0.0° |
| C14 | C13 | H20 | H21 | 119.0° | 120.0° |
| C14 | C15 | C16 | H7 | 180.0° | 179.9° |
| C14 | C15 | C16 | H4 | 178.1° | 180.0° |
| C15 | C14 | C13 | H20 | 54.0° | 30.0° |
| C15 | C14 | C13 | H21 | 173.3° | 150.0° |
| C7 | C4 | C5 | C3 | 178.2° | 179.6° |
| C7 | C4 | C5 | C6 | 176.3° | 180.0° |
| C7 | C4 | C3 | C2 | 175.7° | 179.9° |
| C7 | C4 | C3 | H5 | 4.3° | 0.1° |
| C7 | C4 | C5 | H6 | 3.8° | 0.1° |
| C4 | C7 | C8 | H19 | 58.1° | 60.9° |
| C30 | C31 | C32 | H9 | 180.0° | 179.7° |
| C30 | C31 | C32 | CL37 | 176.6° | 180.0° |
| C30 | C31 | C32 | C33 | 4.3° | 0.0° |
| C31 | C30 | C35 | C34 | 1.4° | 0.0° |
| C31 | C30 | C35 | H10 | 178.7° | 180.0° |
| C31 | C30 | C27 | H24 | 8.5° | 20.0° |
| C31 | C32 | CL37 | C33 | 179.1° | 180.0° |
| C32 | C31 | C30 | C35 | 1.8° | 0.0° |
| C31 | C32 | C33 | C34 | 6.1° | 0.0° |
| C31 | C32 | C33 | H11 | 173.9° | 180.0° |
| CL37 | C32 | C33 | C34 | 174.8° | 180.0° |
| CL37 | C32 | C31 | H9 | 3.4° | 0.2° |
| CL37 | C32 | C33 | H11 | 5.2° | 0.0° |
| C30 | C35 | C34 | H10 | 180.0° | 180.0° |
| C30 | C35 | C34 | C33 | 3.4° | 0.0° |
| C30 | C35 | C34 | CL36 | 174.7° | 180.0° |
| C35 | C30 | C31 | H9 | 178.2° | 179.8° |
| C35 | C30 | C27 | H24 | 173.2° | 160.0° |
| C32 | C33 | C34 | C35 | 5.6° | 0.0° |
| C32 | C33 | C34 | H11 | 180.0° | 180.0° |
| C32 | C33 | C34 | CL36 | 177.1° | 180.0° |
| C33 | C32 | C31 | H9 | 175.7° | 179.8° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 6.2° | 0.3° |
| C4 | C5 | C6 | C1 | 2.5° | 0.1° |
| C4 | C5 | C6 | H3 | 177.5° | 179.9° |
| C5 | C4 | C3 | H5 | 173.8° | 179.7° |
| C5 | C4 | C7 | H18 | 29.9° | 21.8° |
| C3 | C4 | C5 | C6 | 5.6° | 0.3° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 3.7° | 0.1° |
| C4 | C3 | C2 | H2 | 176.3° | 180.0° |
| C3 | C4 | C5 | H6 | 174.4° | 179.7° |
| C3 | C4 | C7 | H18 | 152.0° | 157.8° |
| C35 | C34 | C33 | CL36 | 171.4° | 180.0° |
| C35 | C34 | C33 | H11 | 174.4° | 180.0° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.3° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.5° | 179.9° |
| C33 | C34 | C35 | H10 | 176.6° | 180.0° |
| CL36 | C34 | C35 | H10 | 5.3° | 0.0° |
| CL36 | C34 | C33 | H11 | 2.9° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | H2 | 179.5° | 179.8° |
| C1 | C6 | C5 | H6 | 177.5° | 180.0° |
| C2 | C1 | C6 | H3 | 179.9° | 179.7° |
| C1 | C2 | C3 | H5 | 176.3° | 180.0° |
| H1 | C1 | C2 | H2 | 0.5° | 0.0° |
| H1 | C1 | C6 | H3 | 0.1° | 0.0° |
| H2 | C2 | C3 | H5 | 3.7° | 0.1° |
| H3 | C6 | C5 | H6 | 2.5° | 0.0° |
| H4 | C16 | C15 | H7 | 1.9° | 0.0° |
| H12 | C10 | C9 | H14 | 64.3° | 62.5° |
| H12 | C10 | C9 | H15 | 55.5° | 57.7° |
| H12 | C10 | C11 | H16 | 55.3° | 59.1° |
| H12 | C10 | C11 | H17 | 63.7° | 60.8° |
| H13 | C10 | C9 | H14 | 55.7° | 57.6° |
| H13 | C10 | C9 | H15 | 175.4° | 177.8° |
| H13 | C10 | C11 | H16 | 175.2° | 179.2° |
| H13 | C10 | C11 | H17 | 56.3° | 59.2° |
| H14 | C9 | C8 | H19 | 62.7° | 62.5° |
| H15 | C9 | C8 | H19 | 57.1° | 57.7° |
| H18 | C7 | C8 | H19 | 57.9° | 59.0° |
| H22 | C28 | C27 | H24 | 174.5° | 63.4° |
| H22 | C28 | O29 | H27 | 59.9° | 60.0° |
| H23 | C28 | C27 | H24 | 65.7° | 56.6° |
| H23 | C28 | O29 | H27 | 59.9° | 60.1° |
