U6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F29 | C28 | sing | 1.35Å | 1.35Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | F22 | sing | 1.40Å | 1.39Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N17 | C15 | sing | 1.47Å | 1.49Å | |
| N17 | C2 | sing | 1.47Å | 1.48Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| C15 | C23 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | N12 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C5 | doub | 1.35Å | 1.35Å | Aromatic |
| N12 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.45Å | 1.46Å | Aromatic |
| C26 | O30 | sing | 1.36Å | 1.37Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C6 | doub | 1.42Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | F39 | sing | 1.35Å | 1.35Å | |
| O30 | C31 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.37Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | N33 | sing | 1.47Å | 1.48Å | |
| N33 | C34 | sing | 1.48Å | 1.48Å | |
| N33 | C36 | sing | 1.48Å | 1.48Å | |
| C34 | C35 | sing | 1.54Å | 1.54Å | |
| C36 | C35 | sing | 1.54Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | F38 | sing | 1.40Å | 1.40Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| N12 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F29 | C28 | C27 | 119.2° | 120.0° |
| F29 | C28 | C23 | 119.6° | 120.0° |
| C20 | C19 | C21 | 105.5° | 109.5° |
| C20 | C19 | C18 | 117.6° | 109.5° |
| C20 | C19 | F22 | 108.7° | 109.5° |
| C19 | C20 | H14 | 109.5° | 109.4° |
| C19 | C20 | H15 | 109.5° | 109.4° |
| C19 | C20 | H16 | 109.5° | 109.4° |
| C1 | C2 | N17 | 108.8° | 109.4° |
| C1 | C2 | C4 | 114.1° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C1 | C2 | H13 | 106.2° | 109.5° |
| C21 | C19 | C18 | 112.2° | 109.5° |
| C21 | C19 | F22 | 109.4° | 109.5° |
| C19 | C21 | H17 | 109.5° | 109.4° |
| C19 | C21 | H18 | 109.5° | 109.5° |
| C19 | C21 | H19 | 109.5° | 109.5° |
| C18 | C19 | F22 | 103.2° | 109.5° |
| C19 | C18 | N17 | 118.4° | 109.5° |
| C19 | C18 | H11 | 107.2° | 109.5° |
| C19 | C18 | H12 | 107.2° | 109.5° |
| C27 | C28 | C23 | 121.2° | 120.0° |
| C28 | C27 | C26 | 120.8° | 120.0° |
| C28 | C27 | H21 | 119.6° | 120.0° |
| C28 | C23 | C15 | 118.9° | 120.0° |
| C28 | C23 | C24 | 118.0° | 120.0° |
| C15 | N17 | C2 | 116.7° | 111.4° |
| C15 | N17 | C18 | 114.1° | 111.0° |
| N17 | C15 | C23 | 117.5° | 109.7° |
| N17 | C15 | C14 | 113.9° | 108.5° |
| N17 | C15 | H10 | 106.5° | 109.8° |
| C2 | N17 | C18 | 111.4° | 111.0° |
| N17 | C2 | C4 | 114.2° | 109.5° |
| N17 | C2 | H13 | 106.8° | 109.5° |
| N17 | C18 | H11 | 107.2° | 109.5° |
| N17 | C18 | H12 | 107.2° | 109.5° |
| C23 | C15 | C14 | 105.8° | 109.6° |
| C15 | C23 | C24 | 123.0° | 120.0° |
| C23 | C15 | H10 | 106.1° | 109.6° |
| C15 | C14 | N12 | 126.8° | 127.2° |
| C15 | C14 | C5 | 124.3° | 123.0° |
| C14 | C15 | H10 | 106.2° | 109.6° |
| C2 | C4 | C5 | 109.3° | 108.1° |
| C2 | C4 | H1 | 109.5° | 109.8° |
| C2 | C4 | H2 | 109.5° | 109.9° |
| C4 | C2 | H13 | 106.1° | 109.5° |
| C27 | C26 | O30 | 119.7° | 120.0° |
| C27 | C26 | C25 | 118.6° | 120.0° |
| C26 | C27 | H21 | 119.6° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.1° |
| C23 | C24 | F39 | 120.7° | 120.0° |
| N12 | C14 | C5 | 108.9° | 109.8° |
| C14 | N12 | C11 | 110.8° | 109.8° |
| C14 | N12 | H33 | 124.6° | 125.1° |
| C14 | C5 | C4 | 121.4° | 123.4° |
| C14 | C5 | C6 | 107.7° | 107.2° |
| N12 | C11 | C6 | 106.8° | 107.4° |
| N12 | C11 | C10 | 132.0° | 132.0° |
| C11 | N12 | H33 | 124.6° | 125.1° |
| C4 | C5 | C6 | 130.9° | 129.4° |
| C5 | C4 | H1 | 109.5° | 109.7° |
| C5 | C4 | H2 | 109.5° | 109.7° |
| C5 | C6 | C11 | 105.7° | 105.9° |
| C5 | C6 | C7 | 134.1° | 132.8° |
| O30 | C26 | C25 | 121.7° | 120.0° |
| C26 | O30 | C31 | 119.6° | 117.1° |
| C26 | C25 | C24 | 120.7° | 119.9° |
| C26 | C25 | H20 | 119.6° | 120.0° |
| C6 | C11 | C10 | 121.2° | 120.6° |
| C11 | C6 | C7 | 120.2° | 121.2° |
| C11 | C10 | C9 | 117.2° | 117.0° |
| C11 | C10 | H6 | 121.4° | 121.6° |
| C25 | C24 | F39 | 118.7° | 119.9° |
| C24 | C25 | H20 | 119.6° | 120.1° |
| O30 | C31 | C32 | 107.7° | 109.5° |
| O30 | C31 | H22 | 109.9° | 109.4° |
| O30 | C31 | H23 | 109.9° | 109.4° |
| C6 | C7 | C8 | 117.6° | 116.9° |
| C6 | C7 | H3 | 121.2° | 121.5° |
| C10 | C9 | C8 | 121.3° | 122.2° |
| C10 | C9 | H5 | 119.3° | 118.9° |
| C9 | C10 | H6 | 121.4° | 121.5° |
| C7 | C8 | C9 | 122.5° | 122.1° |
| C8 | C7 | H3 | 121.2° | 121.6° |
| C7 | C8 | H4 | 118.8° | 119.0° |
| C9 | C8 | H4 | 118.8° | 118.9° |
| C8 | C9 | H5 | 119.4° | 118.9° |
| C31 | C32 | N33 | 113.7° | 109.5° |
| C32 | C31 | H22 | 109.9° | 109.5° |
| C32 | C31 | H23 | 109.9° | 109.5° |
| C31 | C32 | H24 | 108.4° | 109.5° |
| C31 | C32 | H25 | 108.4° | 109.5° |
| C32 | N33 | C34 | 112.7° | 111.0° |
| C32 | N33 | C36 | 115.1° | 111.0° |
| N33 | C32 | H24 | 108.4° | 109.4° |
| N33 | C32 | H25 | 108.4° | 109.4° |
| C34 | N33 | C36 | 84.8° | 90.7° |
| N33 | C34 | C35 | 83.8° | 86.2° |
| N33 | C34 | H26 | 115.4° | 113.8° |
| N33 | C34 | H27 | 115.5° | 113.8° |
| N33 | C36 | C35 | 83.8° | 86.2° |
| N33 | C36 | H29 | 115.4° | 113.8° |
| N33 | C36 | H30 | 115.5° | 113.9° |
| C34 | C35 | C36 | 81.1° | 86.4° |
| C34 | C35 | C37 | 114.7° | 113.7° |
| C35 | C34 | H26 | 115.5° | 113.8° |
| C35 | C34 | H27 | 115.5° | 113.8° |
| C34 | C35 | H28 | 112.7° | 113.7° |
| C36 | C35 | C37 | 118.9° | 113.7° |
| C36 | C35 | H28 | 112.7° | 113.8° |
| C35 | C36 | H29 | 115.4° | 113.7° |
| C35 | C36 | H30 | 115.4° | 113.7° |
| C35 | C37 | F38 | 108.7° | 109.5° |
| C37 | C35 | H28 | 113.0° | 112.9° |
| C35 | C37 | H31 | 109.7° | 109.5° |
| C35 | C37 | H32 | 109.7° | 109.5° |
| F38 | C37 | H31 | 109.7° | 109.5° |
| F38 | C37 | H32 | 109.7° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.4° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.4° | 109.5° |
| H17 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H22 | C31 | H23 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 112.9° |
| H29 | C36 | H30 | 109.5° | 112.9° |
| H31 | C37 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F29 | C28 | C27 | C23 | 179.0° | 179.4° |
| F29 | C28 | C23 | C15 | 2.5° | 0.3° |
| F29 | C28 | C27 | C26 | 179.9° | 180.0° |
| F29 | C28 | C23 | C24 | 179.6° | 180.0° |
| F29 | C28 | C27 | H21 | 0.1° | 0.2° |
| C20 | C19 | C21 | C18 | 129.3° | 120.0° |
| C20 | C19 | C21 | F22 | 116.8° | 120.0° |
| C20 | C19 | C18 | F22 | 119.6° | 120.0° |
| C20 | C19 | C18 | N17 | 19.4° | 174.5° |
| C20 | C19 | C18 | H11 | 101.9° | 65.5° |
| C20 | C19 | C18 | H12 | 140.6° | 54.5° |
| C19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 120.0° |
| C20 | C19 | C21 | H17 | 180.0° | 155.8° |
| C20 | C19 | C21 | H18 | 60.0° | 35.8° |
| C20 | C19 | C21 | H19 | 60.0° | 84.2° |
| C1 | C2 | N17 | C15 | 82.0° | 48.7° |
| C1 | C2 | N17 | C4 | 128.7° | 120.0° |
| C1 | C2 | N17 | H13 | 114.2° | 120.0° |
| C1 | C2 | N17 | C18 | 144.5° | 172.9° |
| C1 | C2 | C4 | H13 | 116.6° | 120.0° |
| C1 | C2 | C4 | C5 | 75.5° | 71.0° |
| C1 | C2 | C4 | H1 | 44.5° | 169.3° |
| C1 | C2 | C4 | H2 | 164.6° | 48.6° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 119.9° |
| C21 | C19 | C18 | F22 | 117.7° | 120.0° |
| C21 | C19 | C18 | N17 | 103.3° | 65.5° |
| C21 | C19 | C18 | H11 | 135.4° | 54.5° |
| C21 | C19 | C18 | H12 | 17.9° | 174.5° |
| C21 | C19 | C20 | H14 | 180.0° | 60.0° |
| C21 | C19 | C20 | H15 | 60.0° | 60.0° |
| C21 | C19 | C20 | H16 | 60.0° | 180.0° |
| C19 | C21 | H17 | H18 | 120.0° | 120.0° |
| C19 | C21 | H17 | H19 | 120.0° | 120.0° |
| C19 | C21 | H18 | H19 | 120.0° | 120.0° |
| C19 | C18 | N17 | C15 | 141.6° | 149.8° |
| C19 | C18 | N17 | C2 | 83.7° | 85.8° |
| C19 | C18 | N17 | H11 | 121.3° | 120.0° |
| C19 | C18 | N17 | H12 | 121.3° | 120.0° |
| C19 | C18 | H11 | H12 | 116.0° | 120.0° |
| C18 | C19 | C20 | H14 | 53.9° | 60.0° |
| C18 | C19 | C20 | H15 | 66.1° | 180.0° |
| C18 | C19 | C20 | H16 | 174.0° | 60.0° |
| C18 | C19 | C21 | H17 | 50.7° | 84.2° |
| C18 | C19 | C21 | H18 | 170.7° | 155.8° |
| C18 | C19 | C21 | H19 | 69.3° | 35.8° |
| F22 | C19 | C18 | N17 | 139.0° | 54.5° |
| F22 | C19 | C18 | H11 | 17.7° | 174.5° |
| F22 | C19 | C18 | H12 | 99.8° | 65.5° |
| F22 | C19 | C20 | H14 | 62.7° | 180.0° |
| F22 | C19 | C20 | H15 | 177.3° | 60.0° |
| F22 | C19 | C20 | H16 | 57.3° | 60.0° |
| F22 | C19 | C21 | H17 | 63.2° | 35.8° |
| F22 | C19 | C21 | H18 | 56.8° | 84.2° |
| F22 | C19 | C21 | H19 | 176.8° | 155.8° |
| C27 | C28 | C23 | C15 | 178.5° | 179.7° |
| C28 | C27 | C26 | H21 | 180.0° | 179.8° |
| C27 | C28 | C23 | C24 | 1.4° | 0.6° |
| C28 | C27 | C26 | O30 | 179.7° | 179.7° |
| C28 | C27 | C26 | C25 | 0.8° | 0.2° |
| C28 | C23 | C15 | N17 | 104.1° | 88.6° |
| C28 | C23 | C15 | C24 | 177.0° | 179.7° |
| C28 | C23 | C15 | C14 | 127.4° | 152.4° |
| C23 | C28 | C27 | C26 | 1.1° | 0.5° |
| C28 | C23 | C24 | C25 | 1.5° | 0.3° |
| C28 | C23 | C24 | F39 | 179.7° | 179.7° |
| C28 | C23 | C15 | H10 | 14.9° | 32.0° |
| C23 | C28 | C27 | H21 | 178.9° | 179.7° |
| C15 | N17 | C2 | C18 | 133.5° | 124.2° |
| N17 | C15 | C23 | C14 | 128.5° | 119.0° |
| N17 | C15 | C23 | H10 | 119.0° | 120.6° |
| N17 | C15 | C14 | H10 | 116.9° | 119.9° |
| C15 | N17 | C2 | C4 | 46.7° | 71.3° |
| N17 | C15 | C23 | C24 | 79.0° | 91.1° |
| N17 | C15 | C14 | N12 | 174.0° | 163.2° |
| N17 | C15 | C14 | C5 | 7.6° | 16.7° |
| C15 | N17 | C18 | H11 | 97.2° | 90.2° |
| C15 | N17 | C18 | H12 | 20.3° | 29.7° |
| C15 | N17 | C2 | H13 | 163.7° | 168.6° |
| C2 | N17 | C15 | C23 | 141.3° | 171.3° |
| C2 | N17 | C15 | C14 | 16.8° | 51.6° |
| N17 | C2 | C4 | H13 | 117.4° | 120.0° |
| N17 | C2 | C4 | C5 | 50.6° | 48.9° |
| N17 | C2 | C4 | H1 | 170.5° | 70.7° |
| N17 | C2 | C4 | H2 | 69.4° | 168.6° |
| N17 | C2 | C1 | H7 | 180.0° | 60.0° |
| N17 | C2 | C1 | H8 | 60.0° | 60.0° |
| N17 | C2 | C1 | H9 | 60.0° | 180.0° |
| C2 | N17 | C15 | H10 | 100.0° | 68.2° |
| C2 | N17 | C18 | H11 | 37.6° | 34.2° |
| C2 | N17 | C18 | H12 | 155.1° | 154.2° |
| C18 | N17 | C15 | C23 | 9.0° | 47.1° |
| C18 | N17 | C15 | C14 | 115.5° | 72.6° |
| C18 | N17 | C2 | C4 | 86.8° | 52.9° |
| C18 | N17 | C15 | H10 | 127.8° | 167.6° |
| N17 | C18 | H11 | H12 | 116.0° | 120.0° |
| C18 | N17 | C2 | H13 | 30.2° | 67.2° |
| C23 | C15 | C14 | H10 | 112.5° | 120.4° |
| C23 | C15 | C14 | N12 | 55.5° | 43.4° |
| C23 | C15 | C14 | C5 | 123.0° | 136.4° |
| C15 | C23 | C24 | C25 | 178.5° | 180.0° |
| C15 | C23 | C24 | F39 | 2.7° | 0.0° |
| C14 | C15 | C23 | C24 | 49.5° | 27.9° |
| C15 | C14 | N12 | C5 | 178.7° | 179.8° |
| C15 | C14 | N12 | C11 | 179.6° | 179.8° |
| C15 | C14 | C5 | C4 | 0.7° | 0.3° |
| C15 | C14 | C5 | C6 | 179.3° | 179.8° |
| C15 | C14 | N12 | H33 | 0.4° | 0.3° |
| C2 | C4 | C5 | C14 | 27.6° | 15.6° |
| C2 | C4 | C5 | H1 | 120.0° | 119.7° |
| C2 | C4 | C5 | H2 | 120.0° | 119.8° |
| C2 | C4 | C5 | C6 | 152.3° | 164.3° |
| C2 | C4 | H1 | H2 | 120.1° | 120.8° |
| C4 | C2 | C1 | H7 | 51.2° | 60.0° |
| C4 | C2 | C1 | H8 | 68.8° | 180.0° |
| C4 | C2 | C1 | H9 | 171.2° | 60.0° |
| C27 | C26 | O30 | C25 | 178.8° | 179.9° |
| C27 | C26 | C25 | C24 | 0.9° | 0.1° |
| C27 | C26 | O30 | C31 | 145.7° | 0.1° |
| C27 | C26 | C25 | H20 | 179.1° | 180.0° |
| C23 | C24 | C25 | C26 | 1.3° | 0.0° |
| C23 | C24 | C25 | F39 | 178.8° | 180.0° |
| C24 | C23 | C15 | H10 | 162.1° | 148.3° |
| C23 | C24 | C25 | H20 | 178.7° | 179.9° |
| C14 | N12 | C11 | H33 | 180.0° | 180.0° |
| N12 | C14 | C5 | C4 | 179.5° | 179.9° |
| N12 | C14 | C5 | C6 | 0.6° | 0.0° |
| C14 | N12 | C11 | C6 | 0.8° | 0.0° |
| C14 | N12 | C11 | C10 | 179.5° | 179.9° |
| N12 | C14 | C15 | H10 | 57.0° | 77.0° |
| C5 | C14 | N12 | C11 | 0.9° | 0.1° |
| C14 | C5 | C4 | C6 | 179.9° | 179.9° |
| C14 | C5 | C6 | C11 | 0.1° | 0.0° |
| C14 | C5 | C6 | C7 | 179.9° | 179.9° |
| C14 | C5 | C4 | H1 | 147.6° | 104.0° |
| C14 | C5 | C4 | H2 | 92.3° | 135.4° |
| C5 | C14 | C15 | H10 | 124.5° | 103.2° |
| C5 | C14 | N12 | H33 | 179.1° | 179.9° |
| N12 | C11 | C6 | C5 | 0.4° | 0.0° |
| N12 | C11 | C6 | C10 | 179.8° | 180.0° |
| N12 | C11 | C6 | C7 | 179.6° | 179.9° |
| N12 | C11 | C10 | C9 | 179.7° | 180.0° |
| N12 | C11 | C10 | H6 | 0.3° | 0.1° |
| C4 | C5 | C6 | C11 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.2° |
| C5 | C4 | H1 | H2 | 120.1° | 120.6° |
| C5 | C4 | C2 | H13 | 168.0° | 168.9° |
| C5 | C6 | C11 | C7 | 179.9° | 179.9° |
| C5 | C6 | C11 | C10 | 179.8° | 180.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C6 | C5 | C4 | H1 | 32.3° | 76.0° |
| C6 | C5 | C4 | H2 | 87.7° | 44.5° |
| C5 | C6 | C7 | H3 | 0.1° | 0.1° |
| O30 | C26 | C25 | C24 | 179.7° | 180.0° |
| C26 | O30 | C31 | C32 | 166.9° | 180.0° |
| O30 | C26 | C25 | H20 | 0.3° | 0.1° |
| O30 | C26 | C27 | H21 | 0.3° | 0.1° |
| C26 | O30 | C31 | H22 | 47.2° | 59.9° |
| C26 | O30 | C31 | H23 | 73.4° | 60.0° |
| C26 | C25 | C24 | H20 | 180.0° | 179.9° |
| C26 | C25 | C24 | F39 | 179.9° | 180.0° |
| C25 | C26 | O30 | C31 | 35.5° | 180.0° |
| C25 | C26 | C27 | H21 | 179.2° | 180.0° |
| C6 | C11 | C10 | C9 | 0.0° | 0.0° |
| C11 | C6 | C7 | C8 | 0.2° | 0.1° |
| C11 | C6 | C7 | H3 | 179.8° | 180.0° |
| C6 | C11 | C10 | H6 | 180.0° | 180.0° |
| C6 | C11 | N12 | H33 | 179.2° | 179.9° |
| C10 | C11 | C6 | C7 | 0.2° | 0.1° |
| C11 | C10 | C9 | H6 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.0° |
| C11 | C10 | C9 | H5 | 179.7° | 179.9° |
| C10 | C11 | N12 | H33 | 0.5° | 0.1° |
| F39 | C24 | C25 | H20 | 0.1° | 0.0° |
| O30 | C31 | C32 | H22 | 119.7° | 120.0° |
| O30 | C31 | C32 | H23 | 119.7° | 120.0° |
| O30 | C31 | C32 | N33 | 177.2° | 65.0° |
| O30 | C31 | H22 | H23 | 120.8° | 119.9° |
| O30 | C31 | C32 | H24 | 62.2° | 175.0° |
| O30 | C31 | C32 | H25 | 56.6° | 55.0° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | H4 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.1° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | H4 | 179.7° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | H5 | 179.7° | 180.0° |
| C9 | C8 | C7 | H3 | 179.9° | 180.0° |
| C8 | C9 | C10 | H6 | 179.7° | 180.0° |
| C31 | C32 | N33 | H24 | 120.6° | 120.0° |
| C31 | C32 | N33 | H25 | 120.6° | 120.1° |
| C31 | C32 | N33 | C34 | 155.3° | 170.0° |
| C31 | C32 | N33 | C36 | 60.3° | 90.6° |
| C32 | C31 | H22 | H23 | 120.8° | 120.1° |
| C31 | C32 | H24 | H25 | 118.1° | 120.1° |
| C32 | N33 | C34 | C36 | 115.1° | 112.9° |
| C32 | N33 | C34 | C35 | 153.3° | 137.6° |
| C32 | N33 | C36 | C35 | 150.8° | 137.6° |
| N33 | C32 | C31 | H22 | 57.5° | 175.0° |
| N33 | C32 | C31 | H23 | 63.1° | 55.0° |
| N33 | C32 | H24 | H25 | 118.1° | 120.0° |
| C32 | N33 | C34 | H26 | 38.0° | 108.1° |
| C32 | N33 | C34 | H27 | 91.4° | 23.2° |
| C32 | N33 | C36 | H29 | 94.0° | 23.3° |
| C32 | N33 | C36 | H30 | 35.5° | 108.1° |
| N33 | C34 | C35 | H26 | 115.3° | 114.3° |
| N33 | C34 | C35 | H27 | 115.3° | 114.4° |
| C34 | N33 | C36 | C35 | 38.1° | 24.7° |
| N33 | C34 | C35 | C37 | 154.6° | 138.1° |
| C34 | N33 | C32 | H24 | 34.7° | 70.0° |
| C34 | N33 | C32 | H25 | 84.1° | 50.0° |
| N33 | C34 | H26 | H27 | 132.3° | 131.8° |
| N33 | C34 | C35 | H28 | 74.1° | 90.8° |
| C34 | N33 | C36 | H29 | 153.4° | 89.6° |
| C34 | N33 | C36 | H30 | 77.1° | 139.0° |
| N33 | C36 | C35 | H29 | 115.3° | 114.3° |
| N33 | C36 | C35 | H30 | 115.3° | 114.5° |
| N33 | C36 | C35 | C37 | 150.3° | 138.1° |
| C36 | N33 | C32 | H24 | 60.4° | 29.4° |
| C36 | N33 | C32 | H25 | 179.1° | 149.3° |
| C36 | N33 | C34 | H26 | 77.1° | 139.0° |
| C36 | N33 | C34 | H27 | 153.5° | 89.7° |
| N33 | C36 | C35 | H28 | 74.0° | 90.6° |
| N33 | C36 | H29 | H30 | 132.3° | 131.8° |
| C34 | C35 | C36 | C37 | 113.4° | 114.4° |
| C34 | C35 | C36 | H28 | 111.0° | 114.3° |
| C34 | C35 | C37 | H28 | 131.1° | 131.5° |
| C34 | C35 | C37 | F38 | 107.1° | 180.0° |
| C35 | C34 | H26 | H27 | 132.3° | 131.6° |
| C34 | C35 | C36 | H29 | 152.2° | 90.6° |
| C34 | C35 | C36 | H30 | 78.3° | 138.2° |
| C34 | C35 | C37 | H31 | 133.0° | 60.0° |
| C34 | C35 | C37 | H32 | 12.7° | 59.9° |
| C36 | C35 | C37 | H28 | 135.5° | 131.7° |
| C36 | C35 | C37 | F38 | 159.5° | 83.2° |
| C36 | C35 | C34 | H26 | 78.4° | 138.1° |
| C36 | C35 | C34 | H27 | 152.1° | 90.7° |
| C35 | C36 | H29 | H30 | 132.3° | 131.6° |
| C36 | C35 | C37 | H31 | 39.6° | 36.8° |
| C36 | C35 | C37 | H32 | 80.6° | 156.7° |
| C35 | C37 | F38 | H31 | 119.9° | 120.0° |
| C35 | C37 | F38 | H32 | 119.9° | 120.0° |
| C37 | C35 | C34 | H26 | 39.4° | 107.6° |
| C37 | C35 | C34 | H27 | 90.1° | 23.7° |
| C37 | C35 | C36 | H29 | 94.4° | 23.8° |
| C37 | C35 | C36 | H30 | 35.0° | 107.4° |
| C35 | C37 | H31 | H32 | 120.4° | 120.0° |
| F38 | C37 | C35 | H28 | 24.0° | 48.5° |
| F38 | C37 | H31 | H32 | 120.4° | 120.0° |
| H1 | C4 | C2 | H13 | 72.1° | 49.3° |
| H2 | C4 | C2 | H13 | 48.0° | 71.4° |
| H3 | C7 | C8 | H4 | 0.1° | 0.1° |
| H4 | C8 | C9 | H5 | 0.3° | 0.1° |
| H5 | C9 | C10 | H6 | 0.3° | 0.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.1° |
| H7 | C1 | C2 | H13 | 65.3° | 180.0° |
| H8 | C1 | C2 | H13 | 174.7° | 60.0° |
| H9 | C1 | C2 | H13 | 54.6° | 60.0° |
| H14 | C20 | H15 | H16 | 120.0° | 120.1° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H22 | C31 | C32 | H24 | 178.1° | 55.1° |
| H22 | C31 | C32 | H25 | 63.1° | 65.0° |
| H23 | C31 | C32 | H24 | 57.6° | 65.0° |
| H23 | C31 | C32 | H25 | 176.3° | 175.0° |
| H26 | C34 | C35 | H28 | 170.6° | 23.6° |
| H27 | C34 | C35 | H28 | 41.1° | 154.8° |
| H28 | C35 | C36 | H29 | 41.2° | 155.1° |
| H28 | C35 | C36 | H30 | 170.7° | 23.9° |
| H28 | C35 | C37 | H31 | 95.9° | 168.5° |
| H28 | C35 | C37 | H32 | 143.9° | 71.6° |
