A1BF3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N33 | doub | 1.30Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| N33 | O40 | sing | 1.21Å | 1.39Å | Aromatic |
| C5 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| O40 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | C12 | sing | 1.47Å | 1.42Å | |
| C12 | N35 | sing | 1.35Å | 1.37Å | |
| C12 | O37 | doub | 1.22Å | 1.22Å | |
| N35 | C31 | sing | 1.47Å | 1.43Å | |
| O39 | C14 | doub | 1.21Å | 1.22Å | |
| C27 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | C14 | sing | 1.51Å | 1.49Å | |
| C31 | C28 | sing | 1.53Å | 1.51Å | |
| C14 | N36 | sing | 1.35Å | 1.37Å | |
| C24 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | C28 | sing | 1.53Å | 1.51Å | |
| C24 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.51Å | |
| C32 | C29 | sing | 1.53Å | 1.51Å | |
| N36 | C30 | sing | 1.47Å | 1.44Å | |
| C30 | C13 | sing | 1.51Å | 1.49Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C25 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | N34 | sing | 1.47Å | 1.47Å | |
| C1 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
| C26 | C29 | sing | 1.53Å | 1.51Å | |
| C3 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C25 | sing | 1.51Å | 1.52Å | |
| C7 | C10 | sing | 1.47Å | 1.45Å | |
| C25 | C11 | sing | 1.51Å | 1.53Å | |
| C25 | C20 | sing | 1.53Å | 1.55Å | |
| C13 | N34 | sing | 1.35Å | 1.37Å | |
| C13 | O38 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | doub | 1.32Å | 1.34Å | |
| N34 | C22 | sing | 1.47Å | 1.47Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| N35 | H41 | sing | 0.97Å | 1.00Å | |
| N36 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N33 | C6 | C5 | 112.6° | 106.6° |
| C6 | N33 | O40 | 105.0° | 112.0° |
| N33 | C6 | H3 | 123.7° | 126.7° |
| C6 | C5 | C9 | 103.3° | 103.9° |
| C6 | C5 | H2 | 128.4° | 128.1° |
| C5 | C6 | H3 | 123.7° | 126.7° |
| N33 | O40 | C9 | 108.9° | 111.5° |
| C5 | C9 | O40 | 110.2° | 106.1° |
| C5 | C9 | C12 | 131.4° | 127.0° |
| C9 | C5 | H2 | 128.4° | 128.0° |
| O40 | C9 | C12 | 118.4° | 126.9° |
| C9 | C12 | N35 | 112.0° | 120.0° |
| C9 | C12 | O37 | 123.6° | 120.0° |
| N35 | C12 | O37 | 124.4° | 120.0° |
| C12 | N35 | C31 | 119.2° | 120.0° |
| C12 | N35 | H41 | 120.4° | 120.0° |
| N35 | C31 | C14 | 102.3° | 109.5° |
| N35 | C31 | C28 | 109.7° | 109.4° |
| N35 | C31 | H39 | 113.1° | 109.5° |
| C31 | N35 | H41 | 120.4° | 120.0° |
| O39 | C14 | C31 | 122.6° | 120.0° |
| O39 | C14 | N36 | 125.5° | 120.0° |
| C27 | C32 | C30 | 109.6° | 109.5° |
| C27 | C32 | C29 | 110.1° | 109.5° |
| C32 | C27 | H32 | 109.5° | 109.5° |
| C32 | C27 | H33 | 109.5° | 109.5° |
| C32 | C27 | H34 | 109.4° | 109.5° |
| C27 | C32 | H40 | 109.2° | 109.5° |
| C14 | C31 | C28 | 107.2° | 109.5° |
| C31 | C14 | N36 | 111.9° | 120.0° |
| C14 | C31 | H39 | 112.2° | 109.5° |
| C31 | C28 | C24 | 109.7° | 109.5° |
| C31 | C28 | H19 | 109.4° | 109.4° |
| C31 | C28 | H20 | 109.4° | 109.5° |
| C28 | C31 | H39 | 111.9° | 109.5° |
| C14 | N36 | C30 | 119.0° | 120.0° |
| C14 | N36 | H42 | 120.5° | 120.0° |
| C18 | C24 | C28 | 109.0° | 109.4° |
| C18 | C24 | C19 | 111.3° | 109.4° |
| C24 | C18 | C16 | 112.2° | 109.5° |
| C18 | C24 | H15 | 109.0° | 109.5° |
| C24 | C18 | H25 | 108.8° | 109.5° |
| C24 | C18 | H26 | 108.8° | 109.5° |
| C28 | C24 | C19 | 109.3° | 109.5° |
| C28 | C24 | H15 | 109.3° | 109.5° |
| C24 | C28 | H19 | 109.4° | 109.4° |
| C24 | C28 | H20 | 109.4° | 109.4° |
| C24 | C19 | C17 | 111.8° | 109.5° |
| C19 | C24 | H15 | 109.0° | 109.5° |
| C24 | C19 | H27 | 108.9° | 109.5° |
| C24 | C19 | H28 | 108.9° | 109.5° |
| C18 | C16 | C15 | 111.4° | 109.4° |
| C18 | C16 | H23 | 109.0° | 109.5° |
| C18 | C16 | H24 | 109.0° | 109.4° |
| C16 | C18 | H25 | 108.8° | 109.4° |
| C16 | C18 | H26 | 108.8° | 109.4° |
| C16 | C15 | C17 | 111.1° | 109.5° |
| C16 | C15 | H5 | 109.1° | 109.5° |
| C16 | C15 | H6 | 109.0° | 109.4° |
| C15 | C16 | H23 | 109.0° | 109.5° |
| C15 | C16 | H24 | 109.0° | 109.5° |
| C30 | C32 | C29 | 109.5° | 109.4° |
| C32 | C30 | N36 | 110.2° | 109.5° |
| C32 | C30 | C13 | 106.8° | 109.5° |
| C32 | C30 | H38 | 111.3° | 109.4° |
| C30 | C32 | H40 | 109.2° | 109.5° |
| C32 | C29 | C26 | 109.5° | 109.5° |
| C32 | C29 | H35 | 109.4° | 109.5° |
| C32 | C29 | H36 | 109.5° | 109.4° |
| C29 | C32 | H40 | 109.2° | 109.4° |
| N36 | C30 | C13 | 104.0° | 109.5° |
| N36 | C30 | H38 | 112.5° | 109.4° |
| C30 | N36 | H42 | 120.5° | 120.0° |
| C30 | C13 | N34 | 110.3° | 120.0° |
| C30 | C13 | O38 | 123.5° | 119.9° |
| C13 | C30 | H38 | 111.6° | 109.5° |
| C19 | C17 | C15 | 111.4° | 109.5° |
| C19 | C17 | H7 | 109.0° | 109.5° |
| C19 | C17 | H8 | 109.0° | 109.5° |
| C17 | C19 | H27 | 108.9° | 109.5° |
| C17 | C19 | H28 | 108.9° | 109.5° |
| C17 | C15 | H5 | 109.1° | 109.5° |
| C17 | C15 | H6 | 109.1° | 109.5° |
| C15 | C17 | H7 | 109.0° | 109.5° |
| C15 | C17 | H8 | 109.0° | 109.5° |
| C23 | C21 | C25 | 110.9° | 109.4° |
| C21 | C23 | N34 | 111.1° | 108.8° |
| C23 | C21 | H11 | 109.1° | 109.4° |
| C23 | C21 | H12 | 109.1° | 109.5° |
| C21 | C23 | H30 | 109.1° | 109.6° |
| C21 | C23 | H31 | 109.1° | 109.6° |
| C21 | C25 | C8 | 110.6° | 110.2° |
| C21 | C25 | C11 | 110.2° | 110.2° |
| C21 | C25 | C20 | 112.5° | 110.4° |
| C25 | C21 | H11 | 109.1° | 109.5° |
| C25 | C21 | H12 | 109.1° | 109.5° |
| C1 | C2 | C4 | 120.7° | 120.1° |
| C2 | C1 | C3 | 120.7° | 120.4° |
| C2 | C1 | H21 | 119.6° | 119.8° |
| C1 | C2 | H29 | 119.7° | 120.0° |
| C2 | C4 | C8 | 118.4° | 120.0° |
| C2 | C4 | H1 | 120.8° | 120.0° |
| C4 | C2 | H29 | 119.7° | 119.9° |
| C23 | N34 | C13 | 119.0° | 120.6° |
| C23 | N34 | C22 | 116.9° | 118.8° |
| N34 | C23 | H30 | 109.1° | 109.5° |
| N34 | C23 | H31 | 109.1° | 109.6° |
| C1 | C3 | C7 | 118.2° | 119.9° |
| C3 | C1 | H21 | 119.6° | 119.8° |
| C1 | C3 | H37 | 120.9° | 120.1° |
| C4 | C8 | C7 | 120.7° | 120.5° |
| C4 | C8 | C25 | 129.5° | 133.3° |
| C8 | C4 | H1 | 120.8° | 120.1° |
| C29 | C26 | H16 | 109.5° | 109.5° |
| C29 | C26 | H17 | 109.5° | 109.5° |
| C29 | C26 | H18 | 109.5° | 109.4° |
| C26 | C29 | H35 | 109.5° | 109.5° |
| C26 | C29 | H36 | 109.5° | 109.5° |
| C3 | C7 | C8 | 121.3° | 119.2° |
| C3 | C7 | C10 | 129.2° | 132.0° |
| C7 | C3 | H37 | 120.9° | 120.0° |
| C7 | C8 | C25 | 109.8° | 106.2° |
| C8 | C7 | C10 | 109.5° | 108.9° |
| C8 | C25 | C11 | 99.7° | 105.7° |
| C8 | C25 | C20 | 112.5° | 110.2° |
| C7 | C10 | C11 | 107.8° | 111.0° |
| C7 | C10 | H4 | 126.1° | 124.5° |
| C11 | C25 | C20 | 110.6° | 110.2° |
| C25 | C11 | C10 | 113.2° | 108.2° |
| C25 | C11 | H22 | 123.4° | 125.9° |
| C25 | C20 | C22 | 113.1° | 109.4° |
| C25 | C20 | H9 | 108.6° | 109.5° |
| C25 | C20 | H10 | 108.6° | 109.5° |
| N34 | C13 | O38 | 126.2° | 120.0° |
| C13 | N34 | C22 | 120.6° | 120.6° |
| C11 | C10 | H4 | 126.1° | 124.5° |
| C10 | C11 | H22 | 123.4° | 125.9° |
| N34 | C22 | C20 | 111.9° | 108.7° |
| N34 | C22 | H13 | 108.9° | 109.6° |
| N34 | C22 | H14 | 108.9° | 109.7° |
| C22 | C20 | H9 | 108.6° | 109.5° |
| C22 | C20 | H10 | 108.5° | 109.5° |
| C20 | C22 | H13 | 108.8° | 109.6° |
| C20 | C22 | H14 | 108.9° | 109.6° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.7° |
| H16 | C26 | H17 | 109.5° | 109.5° |
| H16 | C26 | H18 | 109.5° | 109.4° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.7° |
| H32 | C27 | H33 | 109.5° | 109.4° |
| H32 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N33 | C6 | C5 | H3 | 180.0° | 180.0° |
| N33 | C6 | C5 | C9 | 0.0° | 0.0° |
| C6 | N33 | O40 | C9 | 0.1° | 0.5° |
| N33 | C6 | C5 | H2 | 180.0° | 179.7° |
| C5 | C6 | N33 | O40 | 0.1° | 0.3° |
| C6 | C5 | C9 | H2 | 180.0° | 179.8° |
| C6 | C5 | C9 | O40 | 0.0° | 0.2° |
| C6 | C5 | C9 | C12 | 180.0° | 179.7° |
| N33 | O40 | C9 | C5 | 0.1° | 0.5° |
| N33 | O40 | C9 | C12 | 180.0° | 179.5° |
| O40 | N33 | C6 | H3 | 179.9° | 179.7° |
| C5 | C9 | O40 | C12 | 180.0° | 180.0° |
| C5 | C9 | C12 | N35 | 3.7° | 180.0° |
| C5 | C9 | C12 | O37 | 176.2° | 0.0° |
| C9 | C5 | C6 | H3 | 180.0° | 180.0° |
| O40 | C9 | C12 | N35 | 176.4° | 0.0° |
| O40 | C9 | C12 | O37 | 3.7° | 180.0° |
| O40 | C9 | C5 | H2 | 180.0° | 180.0° |
| C9 | C12 | N35 | O37 | 179.9° | 179.9° |
| C9 | C12 | N35 | C31 | 171.2° | 179.9° |
| C12 | C9 | C5 | H2 | 0.0° | 0.0° |
| C9 | C12 | N35 | H41 | 8.8° | 0.1° |
| C12 | N35 | C31 | H41 | 180.0° | 180.0° |
| C12 | N35 | C31 | C14 | 84.8° | 60.0° |
| C12 | N35 | C31 | C28 | 161.7° | 60.0° |
| C12 | N35 | C31 | H39 | 36.0° | 179.9° |
| O37 | C12 | N35 | C31 | 8.7° | 0.0° |
| O37 | C12 | N35 | H41 | 171.3° | 180.0° |
| N35 | C31 | C14 | O39 | 38.5° | 20.0° |
| N35 | C31 | C14 | C28 | 115.4° | 120.0° |
| N35 | C31 | C14 | H39 | 121.5° | 120.1° |
| N35 | C31 | C28 | H39 | 126.4° | 120.0° |
| N35 | C31 | C14 | N36 | 141.6° | 160.0° |
| N35 | C31 | C28 | C24 | 68.2° | 65.0° |
| N35 | C31 | C28 | H19 | 51.8° | 175.1° |
| N35 | C31 | C28 | H20 | 171.7° | 55.0° |
| O39 | C14 | C31 | N36 | 179.9° | 180.0° |
| O39 | C14 | C31 | C28 | 76.9° | 100.0° |
| O39 | C14 | N36 | C30 | 13.5° | 0.0° |
| O39 | C14 | C31 | H39 | 160.0° | 140.1° |
| O39 | C14 | N36 | H42 | 166.5° | 180.0° |
| C27 | C32 | C30 | C29 | 120.9° | 120.0° |
| C27 | C32 | C30 | H40 | 119.6° | 120.0° |
| C27 | C32 | C29 | H40 | 119.8° | 120.0° |
| C27 | C32 | C30 | N36 | 39.7° | 65.4° |
| C27 | C32 | C30 | C13 | 152.0° | 174.6° |
| C27 | C32 | C29 | C26 | 63.9° | 65.0° |
| C32 | C27 | H32 | H33 | 120.0° | 120.0° |
| C32 | C27 | H32 | H34 | 120.0° | 120.0° |
| C32 | C27 | H33 | H34 | 120.0° | 120.0° |
| C27 | C32 | C29 | H35 | 56.1° | 175.0° |
| C27 | C32 | C29 | H36 | 176.0° | 55.0° |
| C27 | C32 | C30 | H38 | 85.9° | 54.5° |
| C14 | C31 | C28 | H39 | 123.3° | 120.0° |
| C14 | C31 | C28 | C24 | 178.5° | 175.0° |
| C31 | C14 | N36 | C30 | 166.6° | 180.0° |
| C14 | C31 | C28 | H19 | 58.5° | 55.1° |
| C14 | C31 | C28 | H20 | 61.4° | 65.0° |
| C14 | C31 | N35 | H41 | 95.2° | 120.0° |
| C31 | C14 | N36 | H42 | 13.4° | 0.0° |
| C28 | C31 | C14 | N36 | 103.1° | 80.0° |
| C31 | C28 | C24 | C18 | 165.9° | 175.1° |
| C31 | C28 | C24 | H19 | 120.1° | 119.9° |
| C31 | C28 | C24 | H20 | 120.0° | 120.0° |
| C31 | C28 | C24 | C19 | 72.2° | 65.0° |
| C31 | C28 | C24 | H15 | 47.0° | 55.0° |
| C31 | C28 | H19 | H20 | 119.9° | 120.1° |
| C28 | C31 | N35 | H41 | 18.3° | 120.0° |
| C14 | N36 | C30 | C32 | 104.3° | 84.9° |
| C14 | N36 | C30 | H42 | 180.0° | 180.0° |
| C14 | N36 | C30 | C13 | 141.5° | 155.0° |
| C14 | N36 | C30 | H38 | 20.6° | 35.0° |
| N36 | C14 | C31 | H39 | 20.1° | 40.0° |
| C18 | C24 | C28 | C19 | 121.8° | 119.9° |
| C18 | C24 | C28 | H15 | 119.0° | 120.0° |
| C18 | C24 | C19 | H15 | 120.2° | 120.0° |
| C24 | C18 | C16 | H25 | 120.4° | 120.0° |
| C24 | C18 | C16 | H26 | 120.4° | 120.0° |
| C24 | C18 | C16 | C15 | 54.2° | 60.0° |
| C18 | C24 | C19 | C17 | 53.0° | 60.0° |
| C18 | C24 | C28 | H19 | 45.9° | 65.0° |
| C18 | C24 | C28 | H20 | 74.0° | 55.0° |
| C24 | C18 | C16 | H23 | 66.1° | 180.0° |
| C24 | C18 | C16 | H24 | 174.5° | 60.0° |
| C24 | C18 | H25 | H26 | 118.7° | 120.1° |
| C18 | C24 | C19 | H27 | 67.3° | 180.0° |
| C18 | C24 | C19 | H28 | 173.4° | 60.0° |
| C28 | C24 | C19 | H15 | 119.4° | 120.0° |
| C28 | C24 | C18 | C16 | 173.3° | 180.0° |
| C28 | C24 | C19 | C17 | 173.4° | 180.0° |
| C24 | C28 | H19 | H20 | 119.9° | 120.0° |
| C28 | C24 | C18 | H25 | 66.3° | 60.1° |
| C28 | C24 | C18 | H26 | 52.8° | 60.0° |
| C28 | C24 | C19 | H27 | 53.1° | 60.0° |
| C28 | C24 | C19 | H28 | 66.2° | 59.9° |
| C24 | C28 | C31 | H39 | 58.1° | 55.0° |
| C19 | C24 | C18 | C16 | 52.7° | 60.0° |
| C24 | C19 | C17 | H27 | 120.4° | 120.0° |
| C24 | C19 | C17 | H28 | 120.4° | 120.0° |
| C24 | C19 | C17 | C15 | 55.1° | 60.0° |
| C24 | C19 | C17 | H7 | 175.4° | 60.0° |
| C24 | C19 | C17 | H8 | 65.2° | 180.0° |
| C19 | C24 | C28 | H19 | 167.7° | 54.9° |
| C19 | C24 | C28 | H20 | 47.8° | 175.0° |
| C19 | C24 | C18 | H25 | 173.1° | 180.0° |
| C19 | C24 | C18 | H26 | 67.8° | 59.9° |
| C24 | C19 | H27 | H28 | 118.9° | 120.0° |
| C18 | C16 | C15 | H23 | 120.3° | 120.0° |
| C18 | C16 | C15 | H24 | 120.3° | 119.9° |
| C18 | C16 | C15 | C17 | 55.7° | 60.0° |
| C18 | C16 | C15 | H5 | 176.0° | 60.0° |
| C18 | C16 | C15 | H6 | 64.5° | 180.0° |
| C16 | C18 | C24 | H15 | 67.5° | 60.0° |
| C18 | C16 | H23 | H24 | 119.1° | 120.0° |
| C16 | C18 | H25 | H26 | 118.8° | 119.9° |
| C16 | C15 | C17 | C19 | 56.3° | 60.0° |
| C16 | C15 | C17 | H5 | 120.3° | 120.0° |
| C16 | C15 | C17 | H6 | 120.2° | 120.0° |
| C16 | C15 | H5 | H6 | 119.2° | 119.9° |
| C16 | C15 | C17 | H7 | 176.6° | 60.1° |
| C16 | C15 | C17 | H8 | 64.0° | 180.0° |
| C15 | C16 | H23 | H24 | 119.1° | 120.1° |
| C15 | C16 | C18 | H25 | 174.6° | 180.0° |
| C15 | C16 | C18 | H26 | 66.2° | 60.0° |
| C30 | C32 | C29 | H40 | 119.6° | 120.0° |
| C32 | C30 | N36 | C13 | 114.2° | 120.1° |
| C32 | C30 | N36 | H38 | 124.9° | 119.9° |
| C32 | C30 | C13 | H38 | 121.9° | 120.0° |
| C30 | C32 | C29 | C26 | 175.5° | 175.0° |
| C32 | C30 | C13 | N34 | 82.8° | 76.9° |
| C32 | C30 | C13 | O38 | 96.7° | 103.2° |
| C30 | C32 | C27 | H32 | 180.0° | 180.0° |
| C30 | C32 | C27 | H33 | 60.0° | 60.0° |
| C30 | C32 | C27 | H34 | 60.0° | 60.0° |
| C30 | C32 | C29 | H35 | 64.5° | 54.9° |
| C30 | C32 | C29 | H36 | 55.4° | 65.0° |
| C32 | C30 | N36 | H42 | 75.7° | 95.1° |
| C29 | C32 | C30 | N36 | 81.2° | 54.7° |
| C29 | C32 | C30 | C13 | 31.1° | 65.4° |
| C32 | C29 | C26 | H35 | 120.0° | 120.1° |
| C32 | C29 | C26 | H36 | 120.0° | 119.9° |
| C32 | C29 | C26 | H16 | 180.0° | 60.0° |
| C32 | C29 | C26 | H17 | 60.0° | 60.0° |
| C32 | C29 | C26 | H18 | 60.0° | 180.0° |
| C29 | C32 | C27 | H32 | 59.4° | 60.0° |
| C29 | C32 | C27 | H33 | 179.4° | 180.0° |
| C29 | C32 | C27 | H34 | 60.6° | 60.0° |
| C32 | C29 | H35 | H36 | 119.9° | 119.9° |
| C29 | C32 | C30 | H38 | 153.2° | 174.6° |
| N36 | C30 | C13 | H38 | 121.5° | 120.0° |
| N36 | C30 | C13 | N34 | 160.6° | 163.1° |
| N36 | C30 | C13 | O38 | 19.9° | 16.9° |
| N36 | C30 | C32 | H40 | 159.3° | 174.6° |
| C30 | C13 | N34 | C23 | 4.5° | 4.9° |
| C30 | C13 | N34 | O38 | 179.6° | 180.0° |
| C30 | C13 | N34 | C22 | 162.9° | 175.0° |
| C13 | C30 | C32 | H40 | 88.4° | 54.5° |
| C13 | C30 | N36 | H42 | 38.5° | 25.0° |
| C19 | C17 | C15 | H7 | 120.3° | 120.1° |
| C19 | C17 | C15 | H8 | 120.3° | 120.0° |
| C19 | C17 | C15 | H5 | 176.6° | 60.0° |
| C19 | C17 | C15 | H6 | 63.9° | 180.0° |
| C19 | C17 | H7 | H8 | 119.1° | 120.0° |
| C17 | C19 | C24 | H15 | 67.2° | 60.0° |
| C17 | C19 | H27 | H28 | 118.9° | 120.0° |
| C17 | C15 | H5 | H6 | 119.3° | 120.1° |
| C15 | C17 | H7 | H8 | 119.1° | 119.9° |
| C17 | C15 | C16 | H23 | 64.6° | 180.0° |
| C17 | C15 | C16 | H24 | 176.0° | 60.0° |
| C15 | C17 | C19 | H27 | 65.2° | 180.0° |
| C15 | C17 | C19 | H28 | 175.5° | 60.0° |
| C23 | C21 | C25 | H11 | 120.2° | 119.9° |
| C23 | C21 | C25 | H12 | 120.2° | 120.0° |
| C21 | C23 | N34 | H30 | 120.2° | 119.8° |
| C21 | C23 | N34 | H31 | 120.3° | 119.8° |
| C23 | C21 | C25 | C8 | 178.0° | 177.7° |
| C23 | C21 | C25 | C11 | 72.7° | 61.4° |
| C23 | C21 | C25 | C20 | 51.3° | 60.5° |
| C21 | C23 | N34 | C13 | 103.6° | 126.1° |
| C21 | C23 | N34 | C22 | 55.6° | 54.0° |
| C23 | C21 | H11 | H12 | 119.4° | 120.0° |
| C21 | C23 | H30 | H31 | 119.3° | 120.4° |
| C25 | C21 | C23 | N34 | 53.7° | 54.1° |
| C21 | C25 | C8 | C4 | 64.1° | 61.0° |
| C21 | C25 | C8 | C7 | 115.7° | 119.1° |
| C21 | C25 | C8 | C11 | 116.0° | 119.0° |
| C21 | C25 | C8 | C20 | 126.7° | 122.0° |
| C21 | C25 | C11 | C20 | 125.0° | 122.0° |
| C21 | C25 | C11 | C10 | 115.9° | 119.1° |
| C21 | C25 | C20 | C22 | 47.7° | 60.5° |
| C21 | C25 | C20 | H9 | 72.8° | 179.5° |
| C21 | C25 | C20 | H10 | 168.2° | 59.4° |
| C25 | C21 | H11 | H12 | 119.4° | 120.1° |
| C21 | C25 | C11 | H22 | 64.1° | 60.9° |
| C25 | C21 | C23 | H30 | 66.5° | 65.6° |
| C25 | C21 | C23 | H31 | 174.0° | 173.9° |
| C1 | C2 | C4 | H29 | 180.0° | 179.9° |
| C2 | C1 | C3 | H21 | 180.0° | 179.1° |
| C1 | C2 | C4 | C8 | 0.0° | 0.1° |
| C2 | C1 | C3 | C7 | 0.0° | 0.8° |
| C1 | C2 | C4 | H1 | 180.0° | 179.7° |
| C2 | C1 | C3 | H37 | 180.0° | 179.1° |
| C4 | C2 | C1 | C3 | 0.1° | 0.6° |
| C2 | C4 | C8 | H1 | 180.0° | 179.7° |
| C2 | C4 | C8 | C7 | 0.1° | 0.3° |
| C2 | C4 | C8 | C25 | 179.9° | 179.6° |
| C4 | C2 | C1 | H21 | 179.9° | 179.7° |
| C23 | N34 | C13 | C22 | 158.4° | 180.0° |
| C23 | N34 | C13 | O38 | 175.9° | 175.0° |
| C23 | N34 | C22 | C20 | 51.2° | 54.0° |
| N34 | C23 | C21 | H11 | 66.5° | 65.9° |
| N34 | C23 | C21 | H12 | 173.9° | 174.1° |
| C23 | N34 | C22 | H13 | 69.1° | 173.8° |
| C23 | N34 | C22 | H14 | 171.6° | 65.8° |
| N34 | C23 | H30 | H31 | 119.3° | 120.3° |
| C1 | C3 | C7 | H37 | 180.0° | 179.9° |
| C1 | C3 | C7 | C8 | 0.1° | 0.5° |
| C1 | C3 | C7 | C10 | 179.9° | 179.4° |
| C3 | C1 | C2 | H29 | 179.9° | 179.5° |
| C4 | C8 | C7 | C3 | 0.1° | 0.1° |
| C4 | C8 | C7 | C25 | 179.8° | 179.9° |
| C4 | C8 | C7 | C10 | 180.0° | 180.0° |
| C4 | C8 | C25 | C11 | 179.9° | 180.0° |
| C4 | C8 | C25 | C20 | 62.6° | 61.0° |
| C8 | C4 | C2 | H29 | 180.0° | 180.0° |
| C29 | C26 | H16 | H17 | 120.0° | 120.1° |
| C29 | C26 | H16 | H18 | 120.0° | 120.0° |
| C29 | C26 | H17 | H18 | 120.0° | 120.0° |
| C26 | C29 | H35 | H36 | 120.0° | 120.0° |
| C26 | C29 | C32 | H40 | 55.9° | 55.0° |
| C3 | C7 | C8 | C10 | 179.9° | 180.0° |
| C3 | C7 | C8 | C25 | 179.9° | 179.9° |
| C3 | C7 | C10 | C11 | 179.8° | 179.9° |
| C3 | C7 | C10 | H4 | 0.2° | 0.1° |
| C7 | C3 | C1 | H21 | 180.0° | 179.9° |
| C7 | C8 | C25 | C11 | 0.3° | 0.1° |
| C7 | C8 | C25 | C20 | 117.6° | 118.9° |
| C8 | C7 | C10 | C11 | 0.1° | 0.0° |
| C7 | C8 | C4 | H1 | 179.9° | 180.0° |
| C8 | C7 | C10 | H4 | 179.9° | 180.0° |
| C8 | C7 | C3 | H37 | 180.0° | 179.4° |
| C25 | C8 | C7 | C10 | 0.2° | 0.1° |
| C8 | C25 | C11 | C20 | 118.6° | 119.0° |
| C8 | C25 | C11 | C10 | 0.4° | 0.1° |
| C8 | C25 | C20 | C22 | 173.5° | 177.6° |
| C25 | C8 | C4 | H1 | 0.1° | 0.1° |
| C8 | C25 | C20 | H9 | 52.9° | 57.6° |
| C8 | C25 | C20 | H10 | 66.0° | 62.4° |
| C8 | C25 | C21 | H11 | 57.8° | 62.4° |
| C8 | C25 | C21 | H12 | 61.8° | 57.7° |
| C8 | C25 | C11 | H22 | 179.6° | 179.9° |
| C7 | C10 | C11 | C25 | 0.3° | 0.0° |
| C7 | C10 | C11 | H4 | 180.0° | 180.0° |
| C7 | C10 | C11 | H22 | 179.7° | 180.0° |
| C10 | C7 | C3 | H37 | 0.1° | 0.7° |
| C25 | C11 | C10 | H22 | 180.0° | 180.0° |
| C11 | C25 | C20 | C22 | 75.9° | 61.4° |
| C25 | C11 | C10 | H4 | 179.7° | 179.9° |
| C11 | C25 | C20 | H9 | 163.5° | 58.6° |
| C11 | C25 | C20 | H10 | 44.6° | 178.7° |
| C11 | C25 | C21 | H11 | 167.1° | 178.6° |
| C11 | C25 | C21 | H12 | 47.5° | 58.5° |
| C20 | C25 | C11 | C10 | 119.1° | 118.9° |
| C25 | C20 | C22 | N34 | 45.9° | 54.1° |
| C25 | C20 | C22 | H9 | 120.6° | 120.0° |
| C25 | C20 | C22 | H10 | 120.5° | 119.9° |
| C25 | C20 | H9 | H10 | 118.3° | 120.0° |
| C20 | C25 | C21 | H11 | 69.0° | 59.5° |
| C20 | C25 | C21 | H12 | 171.5° | 179.6° |
| C25 | C20 | C22 | H13 | 74.4° | 173.9° |
| C25 | C20 | C22 | H14 | 166.3° | 65.7° |
| C20 | C25 | C11 | H22 | 60.9° | 61.1° |
| C13 | N34 | C22 | C20 | 107.6° | 126.1° |
| C13 | N34 | C22 | H13 | 132.0° | 6.3° |
| C13 | N34 | C22 | H14 | 12.7° | 114.2° |
| C13 | N34 | C23 | H30 | 136.1° | 114.2° |
| C13 | N34 | C23 | H31 | 16.6° | 6.2° |
| N34 | C13 | C30 | H38 | 39.1° | 43.1° |
| O38 | C13 | N34 | C22 | 17.5° | 5.0° |
| O38 | C13 | C30 | H38 | 141.3° | 136.9° |
| N34 | C22 | C20 | H13 | 120.4° | 119.8° |
| N34 | C22 | C20 | H14 | 120.3° | 119.9° |
| N34 | C22 | C20 | H9 | 74.6° | 174.1° |
| N34 | C22 | C20 | H10 | 166.5° | 65.8° |
| N34 | C22 | H13 | H14 | 118.9° | 120.5° |
| C22 | N34 | C23 | H30 | 64.7° | 65.8° |
| C22 | N34 | C23 | H31 | 175.8° | 173.8° |
| C22 | C20 | H9 | H10 | 118.4° | 120.0° |
| C20 | C22 | H13 | H14 | 118.9° | 120.3° |
| H1 | C4 | C2 | H29 | 0.0° | 0.2° |
| H2 | C5 | C6 | H3 | 0.0° | 0.3° |
| H4 | C10 | C11 | H22 | 0.3° | 0.0° |
| H5 | C15 | C17 | H7 | 63.2° | 180.0° |
| H5 | C15 | C17 | H8 | 56.3° | 60.1° |
| H5 | C15 | C16 | H23 | 55.7° | 60.0° |
| H5 | C15 | C16 | H24 | 63.7° | 179.9° |
| H6 | C15 | C17 | H7 | 56.3° | 59.9° |
| H6 | C15 | C17 | H8 | 175.8° | 60.0° |
| H6 | C15 | C16 | H23 | 175.2° | 60.0° |
| H6 | C15 | C16 | H24 | 55.8° | 60.1° |
| H7 | C17 | C19 | H27 | 55.0° | 59.9° |
| H7 | C17 | C19 | H28 | 64.2° | 179.9° |
| H8 | C17 | C19 | H27 | 174.5° | 60.0° |
| H8 | C17 | C19 | H28 | 55.2° | 60.0° |
| H9 | C20 | C22 | H13 | 165.0° | 66.1° |
| H9 | C20 | C22 | H14 | 45.7° | 54.3° |
| H10 | C20 | C22 | H13 | 46.1° | 53.9° |
| H10 | C20 | C22 | H14 | 73.2° | 174.3° |
| H11 | C21 | C23 | H30 | 173.3° | 174.4° |
| H11 | C21 | C23 | H31 | 53.8° | 53.9° |
| H12 | C21 | C23 | H30 | 53.7° | 54.3° |
| H12 | C21 | C23 | H31 | 65.8° | 66.1° |
| H15 | C24 | C28 | H19 | 73.1° | 175.0° |
| H15 | C24 | C28 | H20 | 167.0° | 65.0° |
| H15 | C24 | C18 | H25 | 52.9° | 59.9° |
| H15 | C24 | C18 | H26 | 172.0° | 180.0° |
| H15 | C24 | C19 | H27 | 172.5° | 60.0° |
| H15 | C24 | C19 | H28 | 53.2° | 180.0° |
| H16 | C26 | H17 | H18 | 120.0° | 120.0° |
| H16 | C26 | C29 | H35 | 60.0° | 60.0° |
| H16 | C26 | C29 | H36 | 60.0° | 180.0° |
| H17 | C26 | C29 | H35 | 180.0° | 180.0° |
| H17 | C26 | C29 | H36 | 60.0° | 60.0° |
| H18 | C26 | C29 | H35 | 60.0° | 60.0° |
| H18 | C26 | C29 | H36 | 180.0° | 60.0° |
| H19 | C28 | C31 | H39 | 178.2° | 64.9° |
| H20 | C28 | C31 | H39 | 61.9° | 175.0° |
| H21 | C1 | C2 | H29 | 0.1° | 0.4° |
| H21 | C1 | C3 | H37 | 0.0° | 0.0° |
| H23 | C16 | C18 | H25 | 54.3° | 60.0° |
| H23 | C16 | C18 | H26 | 173.5° | 60.0° |
| H24 | C16 | C18 | H25 | 65.1° | 60.0° |
| H24 | C16 | C18 | H26 | 54.1° | 180.0° |
| H32 | C27 | H33 | H34 | 120.0° | 120.0° |
| H32 | C27 | C32 | H40 | 60.4° | 60.0° |
| H33 | C27 | C32 | H40 | 59.6° | 60.0° |
| H34 | C27 | C32 | H40 | 179.6° | 179.9° |
| H35 | C29 | C32 | H40 | 175.9° | 65.1° |
| H36 | C29 | C32 | H40 | 64.1° | 175.0° |
| H38 | C30 | C32 | H40 | 33.7° | 65.5° |
| H38 | C30 | N36 | H42 | 159.4° | 145.0° |
| H39 | C31 | N35 | H41 | 144.0° | 0.0° |
