BXQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | S32 | doub | 1.42Å | 1.45Å | |
| F4 | C2 | sing | 1.40Å | 1.36Å | |
| C29 | S32 | sing | 1.82Å | 1.80Å | |
| C29 | C27 | sing | 1.53Å | 1.56Å | |
| C40 | N38 | sing | 1.47Å | 1.49Å | |
| C40 | C43 | sing | 1.51Å | 1.54Å | |
| S32 | O36 | doub | 1.42Å | 1.45Å | |
| S32 | C33 | sing | 1.82Å | 1.79Å | |
| C51 | C43 | doub | 1.38Å | 1.42Å | Aromatic |
| C51 | C49 | sing | 1.38Å | 1.41Å | Aromatic |
| N38 | C27 | sing | 1.47Å | 1.49Å | |
| C43 | C44 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | F1 | sing | 1.40Å | 1.36Å | |
| C2 | F3 | sing | 1.40Å | 1.36Å | |
| C2 | C5 | sing | 1.53Å | 1.55Å | |
| C27 | C25 | sing | 1.53Å | 1.57Å | |
| O7 | C5 | sing | 1.43Å | 1.44Å | |
| C33 | C23 | sing | 1.53Å | 1.57Å | |
| C49 | C47 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C9 | sing | 1.53Å | 1.56Å | |
| C25 | C23 | sing | 1.53Å | 1.56Å | |
| C25 | O66 | sing | 1.43Å | 1.44Å | |
| C44 | C46 | doub | 1.38Å | 1.43Å | Aromatic |
| C23 | C20 | sing | 1.53Å | 1.57Å | |
| C47 | C46 | sing | 1.38Å | 1.43Å | Aromatic |
| C46 | C53 | sing | 1.51Å | 1.58Å | |
| C9 | C12 | sing | 1.51Å | 1.54Å | |
| C18 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | N69 | sing | 1.40Å | 1.36Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C62 | C53 | sing | 1.53Å | 1.57Å | |
| C53 | C54 | sing | 1.53Å | 1.56Å | |
| C53 | C58 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | F68 | sing | 1.35Å | 1.33Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| O7 | H2 | sing | 0.97Å | 0.95Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| N38 | H16 | sing | 1.01Å | 1.00Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C44 | H20 | sing | 1.08Å | 1.08Å | |
| C47 | H21 | sing | 1.08Å | 1.08Å | |
| C49 | H22 | sing | 1.08Å | 1.08Å | |
| C51 | H23 | sing | 1.08Å | 1.08Å | |
| C54 | H24 | sing | 1.09Å | 1.10Å | |
| C54 | H25 | sing | 1.09Å | 1.10Å | |
| C54 | H26 | sing | 1.09Å | 1.10Å | |
| C58 | H27 | sing | 1.09Å | 1.10Å | |
| C58 | H28 | sing | 1.09Å | 1.10Å | |
| C58 | H29 | sing | 1.09Å | 1.10Å | |
| C62 | H30 | sing | 1.09Å | 1.10Å | |
| C62 | H31 | sing | 1.09Å | 1.10Å | |
| C62 | H32 | sing | 1.09Å | 1.10Å | |
| O66 | H33 | sing | 0.97Å | 0.95Å | |
| N69 | H34 | sing | 0.97Å | 1.00Å | |
| N69 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | S32 | C29 | 109.5° | 108.7° |
| O37 | S32 | O36 | 117.2° | 119.3° |
| O37 | S32 | C33 | 108.9° | 108.7° |
| F4 | C2 | F1 | 109.5° | 109.4° |
| F4 | C2 | F3 | 108.9° | 109.5° |
| F4 | C2 | C5 | 110.5° | 109.5° |
| S32 | C29 | C27 | 109.3° | 109.0° |
| C29 | S32 | O36 | 110.3° | 108.7° |
| C29 | S32 | C33 | 100.0° | 101.2° |
| S32 | C29 | H12 | 109.5° | 109.5° |
| S32 | C29 | H13 | 109.5° | 109.6° |
| C29 | C27 | N38 | 111.8° | 109.3° |
| C29 | C27 | C25 | 114.7° | 110.0° |
| C29 | C27 | H11 | 105.7° | 109.4° |
| C27 | C29 | H12 | 109.5° | 109.5° |
| C27 | C29 | H13 | 109.5° | 109.6° |
| N38 | C40 | C43 | 108.3° | 109.5° |
| C40 | N38 | C27 | 121.9° | 111.0° |
| C40 | N38 | H16 | 106.3° | 111.0° |
| N38 | C40 | H18 | 109.8° | 109.5° |
| N38 | C40 | H19 | 109.7° | 109.5° |
| C40 | C43 | C51 | 120.6° | 120.0° |
| C40 | C43 | C44 | 120.1° | 120.0° |
| C43 | C40 | H18 | 109.8° | 109.5° |
| C43 | C40 | H19 | 109.7° | 109.5° |
| O36 | S32 | C33 | 109.6° | 108.7° |
| S32 | C33 | C23 | 109.7° | 109.0° |
| S32 | C33 | H14 | 109.4° | 109.5° |
| S32 | C33 | H15 | 109.4° | 109.5° |
| C43 | C51 | C49 | 119.7° | 120.0° |
| C51 | C43 | C44 | 119.3° | 120.0° |
| C43 | C51 | H23 | 120.1° | 120.0° |
| C51 | C49 | C47 | 120.0° | 120.0° |
| C51 | C49 | H22 | 120.0° | 120.0° |
| C49 | C51 | H23 | 120.2° | 120.0° |
| N38 | C27 | C25 | 111.8° | 109.4° |
| N38 | C27 | H11 | 106.5° | 109.4° |
| C27 | N38 | H16 | 106.3° | 111.0° |
| C43 | C44 | C46 | 122.9° | 120.0° |
| C43 | C44 | H20 | 118.6° | 120.0° |
| F1 | C2 | F3 | 110.2° | 109.5° |
| F1 | C2 | C5 | 107.7° | 109.4° |
| F3 | C2 | C5 | 110.0° | 109.5° |
| C2 | C5 | O7 | 110.5° | 109.5° |
| C2 | C5 | C9 | 112.4° | 109.5° |
| C2 | C5 | H1 | 107.5° | 109.4° |
| C27 | C25 | C23 | 112.0° | 110.6° |
| C27 | C25 | O66 | 104.3° | 109.3° |
| C27 | C25 | H10 | 108.6° | 109.2° |
| C25 | C27 | H11 | 105.6° | 109.4° |
| O7 | C5 | C9 | 110.0° | 109.5° |
| O7 | C5 | H1 | 108.9° | 109.5° |
| C5 | O7 | H2 | 109.5° | 114.0° |
| C33 | C23 | C25 | 108.9° | 109.9° |
| C33 | C23 | C20 | 112.1° | 109.4° |
| C33 | C23 | H9 | 106.7° | 109.4° |
| C23 | C33 | H14 | 109.4° | 109.7° |
| C23 | C33 | H15 | 109.4° | 109.5° |
| C49 | C47 | C46 | 122.2° | 120.0° |
| C49 | C47 | H21 | 118.9° | 120.0° |
| C47 | C49 | H22 | 120.0° | 120.0° |
| C5 | C9 | C12 | 109.5° | 109.4° |
| C9 | C5 | H1 | 107.4° | 109.5° |
| C5 | C9 | H3 | 109.4° | 109.5° |
| C5 | C9 | H4 | 109.5° | 109.5° |
| C23 | C25 | O66 | 112.9° | 109.3° |
| C25 | C23 | C20 | 115.3° | 109.4° |
| C25 | C23 | H9 | 106.7° | 109.3° |
| C23 | C25 | H10 | 108.7° | 109.2° |
| O66 | C25 | H10 | 110.3° | 109.2° |
| C25 | O66 | H33 | 109.5° | 114.0° |
| C44 | C46 | C47 | 115.9° | 120.0° |
| C44 | C46 | C53 | 120.3° | 120.0° |
| C46 | C44 | H20 | 118.6° | 120.0° |
| C23 | C20 | C17 | 111.8° | 109.5° |
| C23 | C20 | H7 | 108.9° | 109.5° |
| C23 | C20 | H8 | 108.9° | 109.4° |
| C20 | C23 | H9 | 106.7° | 109.4° |
| C47 | C46 | C53 | 123.8° | 120.0° |
| C46 | C47 | H21 | 118.9° | 120.0° |
| C46 | C53 | C62 | 113.2° | 109.4° |
| C46 | C53 | C54 | 112.1° | 109.5° |
| C46 | C53 | C58 | 111.0° | 109.5° |
| C9 | C12 | C18 | 116.1° | 120.0° |
| C9 | C12 | C13 | 124.4° | 120.0° |
| C12 | C9 | H3 | 109.5° | 109.5° |
| C12 | C9 | H4 | 109.5° | 109.5° |
| C12 | C18 | C17 | 121.5° | 120.1° |
| C18 | C12 | C13 | 119.5° | 120.0° |
| C12 | C18 | H6 | 119.3° | 119.9° |
| C18 | C17 | C20 | 119.0° | 119.9° |
| C18 | C17 | C15 | 119.2° | 120.2° |
| C17 | C18 | H6 | 119.3° | 120.0° |
| C12 | C13 | N69 | 123.1° | 120.1° |
| C12 | C13 | C14 | 118.9° | 119.8° |
| C20 | C17 | C15 | 121.8° | 119.9° |
| C17 | C20 | H7 | 108.9° | 109.5° |
| C17 | C20 | H8 | 108.9° | 109.5° |
| C17 | C15 | C14 | 119.9° | 120.1° |
| C17 | C15 | H5 | 120.1° | 120.0° |
| N69 | C13 | C14 | 118.0° | 120.1° |
| C13 | N69 | H34 | 109.5° | 119.9° |
| C13 | N69 | H35 | 109.5° | 120.1° |
| C13 | C14 | C15 | 121.0° | 119.9° |
| C13 | C14 | F68 | 119.8° | 120.0° |
| C62 | C53 | C54 | 107.0° | 109.5° |
| C62 | C53 | C58 | 105.8° | 109.5° |
| C53 | C62 | H30 | 109.5° | 109.5° |
| C53 | C62 | H31 | 109.5° | 109.4° |
| C53 | C62 | H32 | 109.5° | 109.5° |
| C54 | C53 | C58 | 107.3° | 109.4° |
| C53 | C54 | H24 | 109.5° | 109.5° |
| C53 | C54 | H25 | 109.5° | 109.5° |
| C53 | C54 | H26 | 109.4° | 109.5° |
| C53 | C58 | H27 | 109.5° | 109.4° |
| C53 | C58 | H28 | 109.5° | 109.5° |
| C53 | C58 | H29 | 109.5° | 109.5° |
| C15 | C14 | F68 | 119.2° | 120.1° |
| C14 | C15 | H5 | 120.1° | 119.9° |
| H3 | C9 | H4 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.4° |
| H12 | C29 | H13 | 109.5° | 109.7° |
| H14 | C33 | H15 | 109.5° | 109.6° |
| H18 | C40 | H19 | 109.5° | 109.4° |
| H24 | C54 | H25 | 109.4° | 109.5° |
| H24 | C54 | H26 | 109.5° | 109.4° |
| H25 | C54 | H26 | 109.5° | 109.5° |
| H27 | C58 | H28 | 109.5° | 109.5° |
| H27 | C58 | H29 | 109.5° | 109.4° |
| H28 | C58 | H29 | 109.5° | 109.5° |
| H30 | C62 | H31 | 109.5° | 109.4° |
| H30 | C62 | H32 | 109.4° | 109.5° |
| H31 | C62 | H32 | 109.5° | 109.5° |
| H34 | N69 | H35 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | S32 | C29 | O36 | 130.4° | 131.3° |
| O37 | S32 | C29 | C33 | 114.3° | 114.4° |
| O37 | S32 | C29 | C27 | 170.8° | 168.7° |
| O37 | S32 | O36 | C33 | 124.7° | 125.4° |
| O37 | S32 | C33 | C23 | 177.1° | 168.8° |
| O37 | S32 | C29 | H12 | 50.9° | 71.5° |
| O37 | S32 | C29 | H13 | 69.2° | 48.8° |
| O37 | S32 | C33 | H14 | 62.8° | 48.8° |
| O37 | S32 | C33 | H15 | 57.1° | 71.5° |
| F4 | C2 | F1 | F3 | 119.8° | 120.0° |
| F4 | C2 | F1 | C5 | 120.2° | 120.0° |
| F4 | C2 | F3 | C5 | 121.2° | 120.1° |
| F4 | C2 | C5 | O7 | 55.0° | 59.9° |
| F4 | C2 | C5 | C9 | 178.3° | 180.0° |
| F4 | C2 | C5 | H1 | 63.8° | 60.0° |
| S32 | C29 | C27 | H12 | 120.0° | 119.8° |
| S32 | C29 | C27 | H13 | 120.0° | 119.9° |
| C29 | S32 | O36 | C33 | 109.1° | 109.4° |
| S32 | C29 | C27 | N38 | 172.8° | 176.3° |
| S32 | C29 | C27 | C25 | 58.6° | 63.7° |
| C29 | S32 | C33 | C23 | 62.3° | 54.5° |
| S32 | C29 | C27 | H11 | 57.3° | 56.5° |
| S32 | C29 | H12 | H13 | 120.1° | 120.3° |
| C29 | S32 | C33 | H14 | 177.6° | 65.5° |
| C29 | S32 | C33 | H15 | 57.7° | 174.2° |
| C29 | C27 | N38 | C40 | 67.1° | 84.5° |
| C27 | C29 | S32 | O36 | 58.8° | 60.0° |
| C27 | C29 | S32 | C33 | 56.5° | 54.4° |
| C29 | C27 | N38 | C25 | 130.1° | 120.5° |
| C29 | C27 | N38 | H11 | 115.0° | 119.8° |
| C29 | C27 | C25 | H11 | 116.0° | 120.2° |
| C29 | C27 | C25 | C23 | 59.1° | 70.0° |
| C29 | C27 | C25 | O66 | 178.5° | 169.7° |
| C29 | C27 | C25 | H10 | 60.8° | 50.3° |
| C27 | C29 | H12 | H13 | 120.1° | 120.3° |
| C29 | C27 | N38 | H16 | 54.6° | 39.4° |
| N38 | C40 | C43 | H18 | 119.8° | 120.0° |
| N38 | C40 | C43 | H19 | 119.8° | 120.0° |
| N38 | C40 | C43 | C51 | 110.3° | 90.3° |
| C40 | N38 | C27 | H16 | 121.7° | 123.9° |
| N38 | C40 | C43 | C44 | 69.6° | 90.0° |
| C40 | N38 | C27 | C25 | 162.8° | 155.0° |
| C40 | N38 | C27 | H11 | 47.9° | 35.2° |
| N38 | C40 | H18 | H19 | 120.5° | 120.0° |
| C40 | C43 | C51 | C44 | 179.9° | 179.7° |
| C40 | C43 | C51 | C49 | 179.8° | 179.7° |
| C43 | C40 | N38 | C27 | 57.2° | 180.0° |
| C40 | C43 | C44 | C46 | 179.8° | 180.0° |
| C43 | C40 | N38 | H16 | 179.0° | 56.0° |
| C43 | C40 | H18 | H19 | 120.5° | 120.0° |
| C40 | C43 | C44 | H20 | 0.2° | 0.1° |
| C40 | C43 | C51 | H23 | 0.2° | 0.0° |
| O36 | S32 | C33 | C23 | 53.5° | 59.9° |
| O36 | S32 | C29 | H12 | 178.7° | 59.8° |
| O36 | S32 | C29 | H13 | 61.2° | 179.9° |
| O36 | S32 | C33 | H14 | 66.5° | 179.9° |
| O36 | S32 | C33 | H15 | 173.5° | 59.9° |
| S32 | C33 | C23 | H14 | 120.0° | 119.9° |
| S32 | C33 | C23 | H15 | 120.0° | 119.8° |
| S32 | C33 | C23 | C25 | 66.8° | 63.8° |
| S32 | C33 | C23 | C20 | 164.4° | 176.1° |
| S32 | C33 | C23 | H9 | 48.0° | 56.3° |
| C33 | S32 | C29 | H12 | 63.4° | 174.1° |
| C33 | S32 | C29 | H13 | 176.5° | 65.5° |
| S32 | C33 | H14 | H15 | 119.9° | 120.2° |
| C43 | C51 | C49 | H23 | 180.0° | 179.8° |
| C43 | C51 | C49 | C47 | 0.0° | 0.5° |
| C51 | C43 | C44 | C46 | 0.1° | 0.3° |
| C51 | C43 | C40 | H18 | 129.9° | 149.7° |
| C51 | C43 | C40 | H19 | 9.5° | 29.7° |
| C51 | C43 | C44 | H20 | 179.9° | 179.7° |
| C43 | C51 | C49 | H22 | 180.0° | 179.6° |
| C49 | C51 | C43 | C44 | 0.1° | 0.6° |
| C51 | C49 | C47 | H22 | 180.0° | 179.9° |
| C51 | C49 | C47 | C46 | 0.1° | 0.2° |
| C51 | C49 | C47 | H21 | 179.9° | 179.7° |
| N38 | C27 | C25 | H11 | 115.4° | 119.8° |
| N38 | C27 | C25 | C23 | 172.2° | 170.0° |
| N38 | C27 | C25 | O66 | 49.9° | 49.6° |
| N38 | C27 | C25 | H10 | 67.8° | 69.8° |
| N38 | C27 | C29 | H12 | 67.2° | 56.5° |
| N38 | C27 | C29 | H13 | 52.8° | 63.9° |
| C27 | N38 | C40 | H18 | 177.1° | 60.0° |
| C27 | N38 | C40 | H19 | 62.6° | 60.0° |
| C43 | C44 | C46 | H20 | 180.0° | 179.9° |
| C43 | C44 | C46 | C47 | 0.0° | 0.0° |
| C43 | C44 | C46 | C53 | 179.8° | 179.9° |
| C44 | C43 | C40 | H18 | 50.2° | 30.0° |
| C44 | C43 | C40 | H19 | 170.6° | 149.9° |
| C44 | C43 | C51 | H23 | 179.9° | 179.6° |
| F1 | C2 | F3 | C5 | 118.6° | 120.0° |
| F1 | C2 | C5 | O7 | 64.6° | 60.0° |
| F1 | C2 | C5 | C9 | 58.7° | 60.0° |
| F1 | C2 | C5 | H1 | 176.6° | 180.0° |
| F3 | C2 | C5 | O7 | 175.3° | 180.0° |
| F3 | C2 | C5 | C9 | 61.4° | 60.0° |
| F3 | C2 | C5 | H1 | 56.5° | 60.1° |
| C2 | C5 | O7 | C9 | 124.6° | 120.0° |
| C2 | C5 | O7 | H1 | 117.9° | 119.9° |
| C2 | C5 | C9 | H1 | 118.1° | 120.0° |
| C2 | C5 | C9 | C12 | 166.1° | 175.0° |
| C2 | C5 | O7 | H2 | 180.0° | 59.9° |
| C2 | C5 | C9 | H3 | 73.9° | 65.0° |
| C2 | C5 | C9 | H4 | 46.1° | 55.0° |
| C27 | C25 | C23 | C33 | 61.4° | 70.0° |
| C27 | C25 | C23 | O66 | 117.4° | 120.3° |
| C27 | C25 | C23 | H10 | 119.9° | 120.2° |
| C27 | C25 | O66 | H10 | 116.5° | 119.4° |
| C27 | C25 | C23 | C20 | 171.7° | 169.9° |
| C27 | C25 | C23 | H9 | 53.4° | 50.1° |
| C25 | C27 | C29 | H12 | 61.4° | 176.6° |
| C25 | C27 | C29 | H13 | 178.6° | 56.2° |
| C25 | C27 | N38 | H16 | 75.5° | 81.1° |
| C27 | C25 | O66 | H33 | 180.0° | 58.8° |
| O7 | C5 | C9 | H1 | 118.4° | 120.0° |
| O7 | C5 | C9 | C12 | 70.4° | 65.0° |
| O7 | C5 | C9 | H3 | 49.6° | 55.0° |
| O7 | C5 | C9 | H4 | 169.6° | 175.0° |
| C33 | C23 | C25 | C20 | 126.9° | 120.1° |
| C33 | C23 | C25 | H9 | 114.8° | 120.1° |
| C33 | C23 | C25 | O66 | 178.8° | 169.6° |
| C33 | C23 | C20 | H9 | 116.4° | 119.8° |
| C33 | C23 | C20 | C17 | 44.1° | 64.8° |
| C33 | C23 | C20 | H7 | 76.2° | 175.2° |
| C33 | C23 | C20 | H8 | 164.5° | 55.2° |
| C33 | C23 | C25 | H10 | 58.5° | 50.2° |
| C23 | C33 | H14 | H15 | 119.9° | 120.2° |
| C49 | C47 | C46 | C44 | 0.1° | 0.0° |
| C49 | C47 | C46 | H21 | 180.0° | 179.9° |
| C49 | C47 | C46 | C53 | 179.9° | 180.0° |
| C47 | C49 | C51 | H23 | 180.0° | 179.7° |
| C5 | C9 | C12 | H3 | 120.0° | 120.0° |
| C5 | C9 | C12 | H4 | 120.0° | 120.0° |
| C5 | C9 | C12 | C18 | 66.4° | 99.8° |
| C5 | C9 | C12 | C13 | 113.4° | 80.0° |
| C9 | C5 | O7 | H2 | 55.4° | 60.1° |
| C5 | C9 | H3 | H4 | 120.0° | 120.0° |
| C23 | C25 | O66 | H10 | 121.7° | 119.4° |
| C25 | C23 | C20 | H9 | 118.3° | 119.8° |
| C25 | C23 | C20 | C17 | 169.5° | 174.8° |
| C25 | C23 | C20 | H7 | 49.1° | 54.7° |
| C25 | C23 | C20 | H8 | 70.2° | 65.2° |
| C23 | C25 | C27 | H11 | 56.8° | 50.2° |
| C25 | C23 | C33 | H14 | 173.1° | 56.1° |
| C25 | C23 | C33 | H15 | 53.2° | 176.4° |
| C23 | C25 | O66 | H33 | 58.2° | 180.0° |
| O66 | C25 | C23 | C20 | 54.3° | 49.5° |
| O66 | C25 | C23 | H9 | 64.0° | 70.3° |
| O66 | C25 | C27 | H11 | 65.5° | 70.1° |
| C44 | C46 | C47 | C53 | 179.8° | 180.0° |
| C44 | C46 | C53 | C62 | 44.6° | 60.0° |
| C44 | C46 | C53 | C54 | 165.7° | 60.0° |
| C44 | C46 | C53 | C58 | 74.2° | 180.0° |
| C44 | C46 | C47 | H21 | 179.9° | 180.0° |
| C23 | C20 | C17 | C18 | 103.6° | 89.7° |
| C23 | C20 | C17 | H7 | 120.4° | 120.0° |
| C23 | C20 | C17 | H8 | 120.4° | 120.0° |
| C23 | C20 | C17 | C15 | 75.5° | 90.0° |
| C23 | C20 | H7 | H8 | 118.9° | 120.0° |
| C20 | C23 | C25 | H10 | 68.4° | 69.9° |
| C20 | C23 | C33 | H14 | 44.4° | 64.0° |
| C20 | C23 | C33 | H15 | 75.6° | 56.3° |
| C47 | C46 | C53 | C62 | 135.6° | 120.0° |
| C47 | C46 | C53 | C54 | 14.4° | 120.0° |
| C47 | C46 | C53 | C58 | 105.6° | 0.1° |
| C47 | C46 | C44 | H20 | 180.0° | 180.0° |
| C46 | C47 | C49 | H22 | 179.9° | 179.9° |
| C46 | C53 | C62 | C54 | 124.0° | 120.0° |
| C46 | C53 | C62 | C58 | 121.8° | 120.0° |
| C46 | C53 | C54 | C58 | 122.2° | 120.0° |
| C53 | C46 | C44 | H20 | 0.2° | 0.0° |
| C53 | C46 | C47 | H21 | 0.1° | 0.0° |
| C46 | C53 | C54 | H24 | 180.0° | 60.0° |
| C46 | C53 | C54 | H25 | 60.0° | 180.0° |
| C46 | C53 | C54 | H26 | 60.0° | 60.0° |
| C46 | C53 | C58 | H27 | 180.0° | 60.0° |
| C46 | C53 | C58 | H28 | 60.0° | 180.0° |
| C46 | C53 | C58 | H29 | 60.0° | 59.9° |
| C46 | C53 | C62 | H30 | 180.0° | 60.1° |
| C46 | C53 | C62 | H31 | 60.0° | 180.0° |
| C46 | C53 | C62 | H32 | 60.0° | 60.0° |
| C9 | C12 | C18 | C13 | 179.8° | 179.8° |
| C9 | C12 | C18 | C17 | 179.3° | 179.7° |
| C9 | C12 | C13 | N69 | 0.2° | 0.0° |
| C9 | C12 | C13 | C14 | 179.7° | 180.0° |
| C12 | C9 | C5 | H1 | 48.0° | 55.0° |
| C12 | C9 | H3 | H4 | 120.0° | 120.0° |
| C9 | C12 | C18 | H6 | 0.7° | 0.0° |
| C12 | C18 | C17 | H6 | 180.0° | 179.7° |
| C12 | C18 | C17 | C20 | 178.5° | 179.7° |
| C12 | C18 | C17 | C15 | 0.7° | 0.6° |
| C18 | C12 | C13 | N69 | 180.0° | 179.8° |
| C18 | C12 | C13 | C14 | 0.1° | 0.2° |
| C18 | C12 | C9 | H3 | 173.6° | 20.3° |
| C18 | C12 | C9 | H4 | 53.6° | 140.2° |
| C17 | C18 | C12 | C13 | 0.5° | 0.5° |
| C18 | C17 | C20 | C15 | 179.1° | 179.6° |
| C18 | C17 | C15 | C14 | 0.4° | 0.4° |
| C18 | C17 | C15 | H5 | 179.6° | 179.7° |
| C18 | C17 | C20 | H7 | 16.7° | 30.4° |
| C18 | C17 | C20 | H8 | 136.0° | 150.3° |
| C12 | C13 | N69 | C14 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | F68 | 179.9° | 180.0° |
| C13 | C12 | C9 | H3 | 6.6° | 160.0° |
| C13 | C12 | C9 | H4 | 126.6° | 40.0° |
| C13 | C12 | C18 | H6 | 179.5° | 179.8° |
| C12 | C13 | N69 | H34 | 180.0° | 0.0° |
| C12 | C13 | N69 | H35 | 60.0° | 180.0° |
| C20 | C17 | C15 | C14 | 178.7° | 180.0° |
| C20 | C17 | C15 | H5 | 1.3° | 0.0° |
| C20 | C17 | C18 | H6 | 1.5° | 0.0° |
| C17 | C20 | H7 | H8 | 118.9° | 120.0° |
| C17 | C20 | C23 | H9 | 72.2° | 55.0° |
| C17 | C15 | C14 | C13 | 0.0° | 0.0° |
| C17 | C15 | C14 | H5 | 180.0° | 180.0° |
| C17 | C15 | C14 | F68 | 179.8° | 180.0° |
| C15 | C17 | C18 | H6 | 179.4° | 179.7° |
| C15 | C17 | C20 | H7 | 164.1° | 150.0° |
| C15 | C17 | C20 | H8 | 44.9° | 30.0° |
| N69 | C13 | C14 | C15 | 179.7° | 180.0° |
| N69 | C13 | C14 | F68 | 0.0° | 0.0° |
| C13 | N69 | H34 | H35 | 120.0° | 180.0° |
| C13 | C14 | C15 | F68 | 179.8° | 180.0° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | N69 | H34 | 0.1° | 180.0° |
| C14 | C13 | N69 | H35 | 119.9° | 0.0° |
| C62 | C53 | C54 | C58 | 113.2° | 120.0° |
| C62 | C53 | C54 | H24 | 55.4° | 180.0° |
| C62 | C53 | C54 | H25 | 64.6° | 60.0° |
| C62 | C53 | C54 | H26 | 175.4° | 60.0° |
| C62 | C53 | C58 | H27 | 56.8° | 60.0° |
| C62 | C53 | C58 | H28 | 176.9° | 60.0° |
| C62 | C53 | C58 | H29 | 63.2° | 179.9° |
| C53 | C62 | H30 | H31 | 120.0° | 119.9° |
| C53 | C62 | H30 | H32 | 120.0° | 120.1° |
| C53 | C62 | H31 | H32 | 120.0° | 120.0° |
| C53 | C54 | H24 | H25 | 120.0° | 120.0° |
| C53 | C54 | H24 | H26 | 120.0° | 120.0° |
| C53 | C54 | H25 | H26 | 120.0° | 120.0° |
| C54 | C53 | C58 | H27 | 57.2° | 180.0° |
| C54 | C53 | C58 | H28 | 62.8° | 60.0° |
| C54 | C53 | C58 | H29 | 177.2° | 60.0° |
| C54 | C53 | C62 | H30 | 56.0° | 59.9° |
| C54 | C53 | C62 | H31 | 176.1° | 60.0° |
| C54 | C53 | C62 | H32 | 64.0° | 180.0° |
| C58 | C53 | C54 | H24 | 57.9° | 60.0° |
| C58 | C53 | C54 | H25 | 177.8° | 60.0° |
| C58 | C53 | C54 | H26 | 62.2° | 180.0° |
| C53 | C58 | H27 | H28 | 120.0° | 120.0° |
| C53 | C58 | H27 | H29 | 120.0° | 120.0° |
| C53 | C58 | H28 | H29 | 120.0° | 120.1° |
| C58 | C53 | C62 | H30 | 58.2° | 179.9° |
| C58 | C53 | C62 | H31 | 61.8° | 60.0° |
| C58 | C53 | C62 | H32 | 178.2° | 60.0° |
| F68 | C14 | C15 | H5 | 0.2° | 0.0° |
| H1 | C5 | O7 | H2 | 62.0° | 179.9° |
| H1 | C5 | C9 | H3 | 168.0° | 175.0° |
| H1 | C5 | C9 | H4 | 72.0° | 65.0° |
| H7 | C20 | C23 | H9 | 167.4° | 65.0° |
| H8 | C20 | C23 | H9 | 48.1° | 175.0° |
| H9 | C23 | C25 | H10 | 173.3° | 170.3° |
| H9 | C23 | C33 | H14 | 72.0° | 176.2° |
| H9 | C23 | C33 | H15 | 168.1° | 63.5° |
| H10 | C25 | C27 | H11 | 176.8° | 170.5° |
| H10 | C25 | O66 | H33 | 63.5° | 60.5° |
| H11 | C27 | C29 | H12 | 177.3° | 63.2° |
| H11 | C27 | C29 | H13 | 62.7° | 176.4° |
| H11 | C27 | N38 | H16 | 169.6° | 159.2° |
| H16 | N38 | C40 | H18 | 61.2° | 64.0° |
| H16 | N38 | C40 | H19 | 59.2° | 176.0° |
| H21 | C47 | C49 | H22 | 0.1° | 0.1° |
| H22 | C49 | C51 | H23 | 0.0° | 0.2° |
| H24 | C54 | H25 | H26 | 120.0° | 119.9° |
| H27 | C58 | H28 | H29 | 120.0° | 120.0° |
| H30 | C62 | H31 | H32 | 119.9° | 120.1° |
