BXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | S28 | doub | 1.42Å | 1.45Å | |
| C25 | S28 | sing | 1.82Å | 1.80Å | |
| C25 | C23 | sing | 1.53Å | 1.56Å | |
| S28 | O33 | doub | 1.42Å | 1.45Å | |
| S28 | C29 | sing | 1.82Å | 1.79Å | |
| O71 | C68 | sing | 1.43Å | 1.45Å | |
| O71 | C72 | sing | 1.43Å | 1.45Å | |
| C75 | C72 | sing | 1.53Å | 1.55Å | |
| C36 | N34 | sing | 1.47Å | 1.49Å | |
| C36 | C39 | sing | 1.51Å | 1.54Å | |
| C47 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C47 | C45 | sing | 1.38Å | 1.41Å | Aromatic |
| C68 | C5 | sing | 1.53Å | 1.56Å | |
| N34 | C23 | sing | 1.47Å | 1.49Å | |
| F4 | C2 | sing | 1.40Å | 1.36Å | |
| C29 | C19 | sing | 1.53Å | 1.56Å | |
| C39 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C21 | sing | 1.53Å | 1.56Å | |
| C45 | C43 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | O7 | sing | 1.43Å | 1.44Å | |
| C2 | F1 | sing | 1.40Å | 1.36Å | |
| C2 | F3 | sing | 1.40Å | 1.36Å | |
| C21 | C19 | sing | 1.53Å | 1.56Å | |
| C21 | O62 | sing | 1.43Å | 1.44Å | |
| C19 | C16 | sing | 1.53Å | 1.57Å | |
| C40 | C42 | doub | 1.38Å | 1.43Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.43Å | Aromatic |
| O7 | C8 | sing | 1.36Å | 1.40Å | |
| C42 | C49 | sing | 1.51Å | 1.57Å | |
| C14 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C13 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | N65 | sing | 1.40Å | 1.36Å | |
| C9 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C50 | C49 | sing | 1.53Å | 1.56Å | |
| C49 | C54 | sing | 1.53Å | 1.57Å | |
| C49 | C58 | sing | 1.53Å | 1.57Å | |
| C10 | F64 | sing | 1.35Å | 1.33Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| N34 | H13 | sing | 1.01Å | 1.00Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C40 | H17 | sing | 1.08Å | 1.08Å | |
| C43 | H18 | sing | 1.08Å | 1.08Å | |
| C45 | H19 | sing | 1.08Å | 1.08Å | |
| C47 | H20 | sing | 1.08Å | 1.08Å | |
| C50 | H21 | sing | 1.09Å | 1.10Å | |
| C50 | H22 | sing | 1.09Å | 1.10Å | |
| C50 | H23 | sing | 1.09Å | 1.10Å | |
| 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 | |
| O62 | H30 | sing | 0.97Å | 0.95Å | |
| N65 | H31 | sing | 0.97Å | 1.00Å | |
| N65 | H32 | sing | 0.97Å | 1.00Å | |
| C68 | H33 | sing | 1.09Å | 1.10Å | |
| C68 | H34 | sing | 1.09Å | 1.10Å | |
| C72 | H35 | sing | 1.09Å | 1.10Å | |
| C72 | H36 | sing | 1.09Å | 1.10Å | |
| C75 | H37 | sing | 1.09Å | 1.10Å | |
| C75 | H38 | sing | 1.09Å | 1.10Å | |
| C75 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | S28 | C25 | 107.8° | 108.6° |
| O32 | S28 | O33 | 118.1° | 119.3° |
| O32 | S28 | C29 | 108.9° | 108.8° |
| S28 | C25 | C23 | 110.8° | 109.0° |
| C25 | S28 | O33 | 109.8° | 108.7° |
| C25 | S28 | C29 | 100.4° | 101.3° |
| S28 | C25 | H9 | 109.1° | 109.6° |
| S28 | C25 | H10 | 109.1° | 109.6° |
| C25 | C23 | N34 | 111.4° | 109.3° |
| C25 | C23 | C21 | 114.8° | 110.0° |
| C25 | C23 | H8 | 105.6° | 109.4° |
| C23 | C25 | H9 | 109.1° | 109.5° |
| C23 | C25 | H10 | 109.1° | 109.6° |
| O33 | S28 | C29 | 110.3° | 108.8° |
| S28 | C29 | C19 | 108.8° | 109.0° |
| S28 | C29 | H11 | 109.7° | 109.5° |
| S28 | C29 | H12 | 109.6° | 109.6° |
| C68 | O71 | C72 | 113.9° | 114.0° |
| O71 | C68 | C5 | 110.4° | 109.5° |
| O71 | C68 | H33 | 109.2° | 109.5° |
| O71 | C68 | H34 | 109.2° | 109.5° |
| O71 | C72 | C75 | 109.6° | 109.5° |
| O71 | C72 | H35 | 109.5° | 109.5° |
| O71 | C72 | H36 | 109.5° | 109.4° |
| C75 | C72 | H35 | 109.4° | 109.5° |
| C75 | C72 | H36 | 109.5° | 109.5° |
| C72 | C75 | H37 | 109.5° | 109.5° |
| C72 | C75 | H38 | 109.5° | 109.4° |
| C72 | C75 | H39 | 109.5° | 109.5° |
| N34 | C36 | C39 | 110.8° | 109.4° |
| C36 | N34 | C23 | 121.5° | 111.0° |
| C36 | N34 | H13 | 106.4° | 111.1° |
| N34 | C36 | H15 | 109.1° | 109.4° |
| N34 | C36 | H16 | 109.1° | 109.5° |
| C36 | C39 | C47 | 121.9° | 119.9° |
| C36 | C39 | C40 | 118.8° | 120.1° |
| C39 | C36 | H15 | 109.2° | 109.4° |
| C39 | C36 | H16 | 109.1° | 109.5° |
| C39 | C47 | C45 | 119.8° | 120.0° |
| C47 | C39 | C40 | 119.3° | 120.0° |
| C39 | C47 | H20 | 120.1° | 120.0° |
| C47 | C45 | C43 | 119.9° | 120.0° |
| C47 | C45 | H19 | 120.0° | 120.0° |
| C45 | C47 | H20 | 120.1° | 120.0° |
| C68 | C5 | C2 | 112.0° | 109.5° |
| C68 | C5 | O7 | 110.2° | 109.4° |
| C68 | C5 | H1 | 109.6° | 109.5° |
| C5 | C68 | H33 | 109.2° | 109.4° |
| C5 | C68 | H34 | 109.2° | 109.4° |
| N34 | C23 | C21 | 112.3° | 109.4° |
| N34 | C23 | H8 | 106.4° | 109.4° |
| C23 | N34 | H13 | 106.4° | 110.9° |
| F4 | C2 | C5 | 111.7° | 109.5° |
| F4 | C2 | F1 | 110.7° | 109.5° |
| F4 | C2 | F3 | 108.8° | 109.5° |
| C29 | C19 | C21 | 110.0° | 109.9° |
| C29 | C19 | C16 | 111.7° | 109.4° |
| C29 | C19 | H6 | 106.7° | 109.4° |
| C19 | C29 | H11 | 109.6° | 109.7° |
| C19 | C29 | H12 | 109.6° | 109.4° |
| C39 | C40 | C42 | 122.6° | 120.0° |
| C39 | C40 | H17 | 118.7° | 120.0° |
| C23 | C21 | C19 | 112.6° | 110.6° |
| C23 | C21 | O62 | 104.7° | 109.2° |
| C23 | C21 | H7 | 108.8° | 109.2° |
| C21 | C23 | H8 | 105.6° | 109.4° |
| C45 | C43 | C42 | 122.1° | 120.0° |
| C45 | C43 | H18 | 119.0° | 120.0° |
| C43 | C45 | H19 | 120.1° | 120.0° |
| C2 | C5 | O7 | 104.0° | 109.5° |
| C5 | C2 | F1 | 108.8° | 109.5° |
| C5 | C2 | F3 | 109.1° | 109.5° |
| C2 | C5 | H1 | 109.7° | 109.5° |
| C5 | O7 | C8 | 121.2° | 117.0° |
| O7 | C5 | H1 | 111.2° | 109.5° |
| F1 | C2 | F3 | 107.6° | 109.5° |
| C19 | C21 | O62 | 111.5° | 109.3° |
| C21 | C19 | C16 | 114.5° | 109.4° |
| C21 | C19 | H6 | 106.7° | 109.4° |
| C19 | C21 | H7 | 108.7° | 109.3° |
| O62 | C21 | H7 | 110.4° | 109.2° |
| C21 | O62 | H30 | 109.5° | 114.0° |
| C19 | C16 | C13 | 112.7° | 109.4° |
| C19 | C16 | H4 | 108.7° | 109.5° |
| C19 | C16 | H5 | 108.6° | 109.4° |
| C16 | C19 | H6 | 106.6° | 109.4° |
| C40 | C42 | C43 | 116.4° | 120.0° |
| C40 | C42 | C49 | 120.8° | 120.0° |
| C42 | C40 | H17 | 118.7° | 120.0° |
| C43 | C42 | C49 | 122.8° | 120.0° |
| C42 | C43 | H18 | 119.0° | 120.0° |
| O7 | C8 | C14 | 122.3° | 120.1° |
| O7 | C8 | C9 | 117.9° | 120.1° |
| C42 | C49 | C50 | 109.0° | 109.5° |
| C42 | C49 | C54 | 115.0° | 109.5° |
| C42 | C49 | C58 | 111.0° | 109.4° |
| C8 | C14 | C13 | 120.7° | 120.0° |
| C14 | C8 | C9 | 119.8° | 119.9° |
| C8 | C14 | H3 | 119.7° | 120.0° |
| C14 | C13 | C16 | 118.8° | 119.9° |
| C14 | C13 | C11 | 119.4° | 120.2° |
| C13 | C14 | H3 | 119.6° | 120.0° |
| C16 | C13 | C11 | 121.8° | 119.9° |
| C13 | C16 | H4 | 108.6° | 109.5° |
| C13 | C16 | H5 | 108.7° | 109.5° |
| C8 | C9 | N65 | 119.6° | 120.1° |
| C8 | C9 | C10 | 119.7° | 119.8° |
| C13 | C11 | C10 | 119.9° | 120.1° |
| C13 | C11 | H2 | 120.1° | 119.9° |
| N65 | C9 | C10 | 120.7° | 120.1° |
| C9 | N65 | H31 | 109.5° | 120.0° |
| C9 | N65 | H32 | 109.5° | 120.0° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| C9 | C10 | F64 | 119.4° | 120.1° |
| C11 | C10 | F64 | 120.1° | 120.0° |
| C10 | C11 | H2 | 120.0° | 120.0° |
| C50 | C49 | C54 | 107.2° | 109.5° |
| C50 | C49 | C58 | 109.0° | 109.4° |
| C49 | C50 | H21 | 109.5° | 109.4° |
| C49 | C50 | H22 | 109.5° | 109.5° |
| C49 | C50 | H23 | 109.5° | 109.5° |
| C54 | C49 | C58 | 105.4° | 109.5° |
| C49 | C54 | H24 | 109.5° | 109.5° |
| C49 | C54 | H25 | 109.5° | 109.4° |
| C49 | C54 | H26 | 109.5° | 109.5° |
| C49 | C58 | H27 | 109.5° | 109.5° |
| C49 | C58 | H28 | 109.5° | 109.5° |
| C49 | C58 | H29 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.6° |
| H11 | C29 | H12 | 109.5° | 109.7° |
| H15 | C36 | H16 | 109.5° | 109.5° |
| H21 | C50 | H22 | 109.5° | 109.5° |
| H21 | C50 | H23 | 109.4° | 109.4° |
| H22 | C50 | H23 | 109.5° | 109.5° |
| H24 | C54 | H25 | 109.5° | 109.4° |
| H24 | C54 | H26 | 109.4° | 109.5° |
| H25 | C54 | H26 | 109.5° | 109.4° |
| H27 | C58 | H28 | 109.5° | 109.4° |
| H27 | C58 | H29 | 109.5° | 109.5° |
| H28 | C58 | H29 | 109.5° | 109.4° |
| H31 | N65 | H32 | 109.4° | 120.0° |
| H33 | C68 | H34 | 109.5° | 109.5° |
| H35 | C72 | H36 | 109.4° | 109.5° |
| H37 | C75 | H38 | 109.5° | 109.5° |
| H37 | C75 | H39 | 109.5° | 109.5° |
| H38 | C75 | H39 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | S28 | C25 | O33 | 129.9° | 131.2° |
| O32 | S28 | C25 | C29 | 113.9° | 114.4° |
| O32 | S28 | C25 | C23 | 169.2° | 168.8° |
| O32 | S28 | O33 | C29 | 126.1° | 125.4° |
| O32 | S28 | C29 | C19 | 174.9° | 168.8° |
| O32 | S28 | C25 | H9 | 49.0° | 71.4° |
| O32 | S28 | C25 | H10 | 70.6° | 48.8° |
| O32 | S28 | C29 | H11 | 65.2° | 48.8° |
| O32 | S28 | C29 | H12 | 55.0° | 71.5° |
| S28 | C25 | C23 | H9 | 120.2° | 119.8° |
| S28 | C25 | C23 | H10 | 120.2° | 119.9° |
| C25 | S28 | O33 | C29 | 109.8° | 109.4° |
| S28 | C25 | C23 | N34 | 175.6° | 176.3° |
| C25 | S28 | C29 | C19 | 61.9° | 54.5° |
| S28 | C25 | C23 | C21 | 55.4° | 63.7° |
| S28 | C25 | C23 | H8 | 60.5° | 56.5° |
| S28 | C25 | H9 | H10 | 119.4° | 120.2° |
| C25 | S28 | C29 | H11 | 178.3° | 65.5° |
| C25 | S28 | C29 | H12 | 58.1° | 174.1° |
| C23 | C25 | S28 | O33 | 60.9° | 60.0° |
| C23 | C25 | S28 | C29 | 55.3° | 54.4° |
| C25 | C23 | N34 | C36 | 62.8° | 84.6° |
| C25 | C23 | N34 | C21 | 130.4° | 120.5° |
| C25 | C23 | N34 | H8 | 114.6° | 119.8° |
| C25 | C23 | C21 | H8 | 115.9° | 120.2° |
| C25 | C23 | C21 | C19 | 55.7° | 70.0° |
| C25 | C23 | C21 | O62 | 177.0° | 169.7° |
| C25 | C23 | C21 | H7 | 64.9° | 50.3° |
| C23 | C25 | H9 | H10 | 119.4° | 120.3° |
| C25 | C23 | N34 | H13 | 58.8° | 39.4° |
| O33 | S28 | C29 | C19 | 54.0° | 59.9° |
| O33 | S28 | C25 | H9 | 178.9° | 59.8° |
| O33 | S28 | C25 | H10 | 59.3° | 180.0° |
| O33 | S28 | C29 | H11 | 65.9° | 179.9° |
| O33 | S28 | C29 | H12 | 173.9° | 59.8° |
| S28 | C29 | C19 | H11 | 119.9° | 119.9° |
| S28 | C29 | C19 | H12 | 119.9° | 119.8° |
| S28 | C29 | C19 | C21 | 67.2° | 63.8° |
| S28 | C29 | C19 | C16 | 164.3° | 176.1° |
| S28 | C29 | C19 | H6 | 48.2° | 56.3° |
| C29 | S28 | C25 | H9 | 64.9° | 174.2° |
| C29 | S28 | C25 | H10 | 175.5° | 65.6° |
| S28 | C29 | H11 | H12 | 120.3° | 120.3° |
| C68 | O71 | C72 | C75 | 172.7° | 180.0° |
| O71 | C68 | C5 | H33 | 120.1° | 120.0° |
| O71 | C68 | C5 | H34 | 120.1° | 120.0° |
| O71 | C68 | C5 | C2 | 161.3° | 55.0° |
| O71 | C68 | C5 | O7 | 83.4° | 65.0° |
| O71 | C68 | C5 | H1 | 39.3° | 175.0° |
| O71 | C68 | H33 | H34 | 119.5° | 120.0° |
| C68 | O71 | C72 | H35 | 67.3° | 60.0° |
| C68 | O71 | C72 | H36 | 52.7° | 60.0° |
| O71 | C72 | C75 | H35 | 120.0° | 120.0° |
| O71 | C72 | C75 | H36 | 120.0° | 119.9° |
| C72 | O71 | C68 | C5 | 100.5° | 180.0° |
| C72 | O71 | C68 | H33 | 19.6° | 60.0° |
| C72 | O71 | C68 | H34 | 139.3° | 60.0° |
| O71 | C72 | H35 | H36 | 120.0° | 119.9° |
| O71 | C72 | C75 | H37 | 180.0° | 60.0° |
| O71 | C72 | C75 | H38 | 60.0° | 60.0° |
| O71 | C72 | C75 | H39 | 60.0° | 180.0° |
| C75 | C72 | H35 | H36 | 119.9° | 120.0° |
| C72 | C75 | H37 | H38 | 120.0° | 120.0° |
| C72 | C75 | H37 | H39 | 120.0° | 120.0° |
| C72 | C75 | H38 | H39 | 120.0° | 120.0° |
| N34 | C36 | C39 | H15 | 120.2° | 119.9° |
| N34 | C36 | C39 | H16 | 120.2° | 120.0° |
| N34 | C36 | C39 | C47 | 111.7° | 90.3° |
| C36 | N34 | C23 | H13 | 121.6° | 124.0° |
| N34 | C36 | C39 | C40 | 68.0° | 90.0° |
| C36 | N34 | C23 | C21 | 166.9° | 155.0° |
| C36 | N34 | C23 | H8 | 51.8° | 35.2° |
| N34 | C36 | H15 | H16 | 119.4° | 120.0° |
| C36 | C39 | C47 | C40 | 179.7° | 179.8° |
| C36 | C39 | C47 | C45 | 179.6° | 179.8° |
| C39 | C36 | N34 | C23 | 55.2° | 179.9° |
| C36 | C39 | C40 | C42 | 179.6° | 180.0° |
| C39 | C36 | N34 | H13 | 176.9° | 56.0° |
| C39 | C36 | H15 | H16 | 119.4° | 120.1° |
| C36 | C39 | C40 | H17 | 0.3° | 0.0° |
| C36 | C39 | C47 | H20 | 0.4° | 0.0° |
| C39 | C47 | C45 | H20 | 180.0° | 179.8° |
| C39 | C47 | C45 | C43 | 0.0° | 0.5° |
| C47 | C39 | C40 | C42 | 0.1° | 0.2° |
| C47 | C39 | C36 | H15 | 128.1° | 149.8° |
| C47 | C39 | C36 | H16 | 8.4° | 29.8° |
| C47 | C39 | C40 | H17 | 179.9° | 179.7° |
| C39 | C47 | C45 | H19 | 180.0° | 179.6° |
| C45 | C47 | C39 | C40 | 0.1° | 0.5° |
| C47 | C45 | C43 | H19 | 180.0° | 179.9° |
| C47 | C45 | C43 | C42 | 0.1° | 0.2° |
| C47 | C45 | C43 | H18 | 179.9° | 179.8° |
| C68 | C5 | C2 | F4 | 61.5° | 60.0° |
| C68 | C5 | C2 | O7 | 119.0° | 120.0° |
| C68 | C5 | C2 | H1 | 121.9° | 120.0° |
| C68 | C5 | O7 | H1 | 121.7° | 120.0° |
| C68 | C5 | C2 | F1 | 61.1° | 60.0° |
| C68 | C5 | C2 | F3 | 178.2° | 180.0° |
| C68 | C5 | O7 | C8 | 122.1° | 154.4° |
| C5 | C68 | H33 | H34 | 119.6° | 120.0° |
| N34 | C23 | C21 | H8 | 115.5° | 119.8° |
| N34 | C23 | C21 | C19 | 175.7° | 170.0° |
| N34 | C23 | C21 | O62 | 54.4° | 49.6° |
| N34 | C23 | C21 | H7 | 63.7° | 69.7° |
| N34 | C23 | C25 | H9 | 64.2° | 56.4° |
| N34 | C23 | C25 | H10 | 55.4° | 63.8° |
| C23 | N34 | C36 | H15 | 175.5° | 60.0° |
| C23 | N34 | C36 | H16 | 64.9° | 60.0° |
| F4 | C2 | C5 | F1 | 122.6° | 120.0° |
| F4 | C2 | C5 | F3 | 120.3° | 120.0° |
| F4 | C2 | C5 | O7 | 179.5° | 180.0° |
| F4 | C2 | F1 | F3 | 118.8° | 120.0° |
| F4 | C2 | C5 | H1 | 60.4° | 60.0° |
| C29 | C19 | C21 | C23 | 61.0° | 70.0° |
| C29 | C19 | C21 | C16 | 126.9° | 120.1° |
| C29 | C19 | C21 | H6 | 115.4° | 120.1° |
| C29 | C19 | C21 | O62 | 178.4° | 169.6° |
| C29 | C19 | C16 | H6 | 116.2° | 119.8° |
| C29 | C19 | C16 | C13 | 53.6° | 64.8° |
| C29 | C19 | C16 | H4 | 66.9° | 175.2° |
| C29 | C19 | C16 | H5 | 174.1° | 55.2° |
| C29 | C19 | C21 | H7 | 59.6° | 50.2° |
| C19 | C29 | H11 | H12 | 120.3° | 120.1° |
| C39 | C40 | C42 | H17 | 180.0° | 180.0° |
| C39 | C40 | C42 | C43 | 0.0° | 0.0° |
| C39 | C40 | C42 | C49 | 179.8° | 180.0° |
| C40 | C39 | C36 | H15 | 52.2° | 30.0° |
| C40 | C39 | C36 | H16 | 171.8° | 150.0° |
| C40 | C39 | C47 | H20 | 179.9° | 179.7° |
| C23 | C21 | C19 | O62 | 117.4° | 120.3° |
| C23 | C21 | C19 | H7 | 120.6° | 120.3° |
| C23 | C21 | O62 | H7 | 117.0° | 119.4° |
| C23 | C21 | C19 | C16 | 172.1° | 169.9° |
| C23 | C21 | C19 | H6 | 54.3° | 50.1° |
| C21 | C23 | C25 | H9 | 64.8° | 176.5° |
| C21 | C23 | C25 | H10 | 175.6° | 56.2° |
| C21 | C23 | N34 | H13 | 71.5° | 81.0° |
| C23 | C21 | O62 | H30 | 180.0° | 58.8° |
| C45 | C43 | C42 | C40 | 0.0° | 0.1° |
| C45 | C43 | C42 | H18 | 180.0° | 180.0° |
| C45 | C43 | C42 | C49 | 179.8° | 180.0° |
| C43 | C45 | C47 | H20 | 180.0° | 179.7° |
| C2 | C5 | O7 | H1 | 118.0° | 120.0° |
| C5 | C2 | F1 | F3 | 118.1° | 120.0° |
| C2 | C5 | O7 | C8 | 117.6° | 85.6° |
| C2 | C5 | C68 | H33 | 78.5° | 175.0° |
| C2 | C5 | C68 | H34 | 41.2° | 65.0° |
| O7 | C5 | C2 | F1 | 58.0° | 60.0° |
| O7 | C5 | C2 | F3 | 59.2° | 60.0° |
| C5 | O7 | C8 | C14 | 37.0° | 5.0° |
| C5 | O7 | C8 | C9 | 142.9° | 174.7° |
| O7 | C5 | C68 | H33 | 36.7° | 55.0° |
| O7 | C5 | C68 | H34 | 156.5° | 175.0° |
| F1 | C2 | C5 | H1 | 177.0° | 180.0° |
| F3 | C2 | C5 | H1 | 59.9° | 60.0° |
| C19 | C21 | O62 | H7 | 121.0° | 119.4° |
| C21 | C19 | C16 | H6 | 117.8° | 119.8° |
| C21 | C19 | C16 | C13 | 179.6° | 174.8° |
| C21 | C19 | C16 | H4 | 59.1° | 54.8° |
| C21 | C19 | C16 | H5 | 60.0° | 65.2° |
| C19 | C21 | C23 | H8 | 60.2° | 50.2° |
| C21 | C19 | C29 | H11 | 172.8° | 56.1° |
| C21 | C19 | C29 | H12 | 52.7° | 176.4° |
| C19 | C21 | O62 | H30 | 58.0° | 180.0° |
| O62 | C21 | C19 | C16 | 54.7° | 49.5° |
| O62 | C21 | C19 | H6 | 63.0° | 70.2° |
| O62 | C21 | C23 | H8 | 61.1° | 70.2° |
| C19 | C16 | C13 | C14 | 105.8° | 89.8° |
| C19 | C16 | C13 | H4 | 120.5° | 120.0° |
| C19 | C16 | C13 | H5 | 120.5° | 119.9° |
| C19 | C16 | C13 | C11 | 73.4° | 90.0° |
| C19 | C16 | H4 | H5 | 118.5° | 120.0° |
| C16 | C19 | C21 | H7 | 67.3° | 69.9° |
| C16 | C19 | C29 | H11 | 44.4° | 64.0° |
| C16 | C19 | C29 | H12 | 75.7° | 56.3° |
| C40 | C42 | C43 | C49 | 179.8° | 180.0° |
| C40 | C42 | C49 | C50 | 51.3° | 60.0° |
| C40 | C42 | C49 | C54 | 171.7° | 60.0° |
| C40 | C42 | C49 | C58 | 68.7° | 180.0° |
| C40 | C42 | C43 | H18 | 180.0° | 180.0° |
| C43 | C42 | C49 | C50 | 128.9° | 119.9° |
| C43 | C42 | C49 | C54 | 8.5° | 120.0° |
| C43 | C42 | C49 | C58 | 111.1° | 0.0° |
| C43 | C42 | C40 | H17 | 180.0° | 180.0° |
| C42 | C43 | C45 | H19 | 180.0° | 179.9° |
| O7 | C8 | C14 | C9 | 179.9° | 179.7° |
| O7 | C8 | C14 | C13 | 179.6° | 179.7° |
| O7 | C8 | C9 | N65 | 0.3° | 0.0° |
| O7 | C8 | C9 | C10 | 179.6° | 180.0° |
| C8 | O7 | C5 | H1 | 0.4° | 34.4° |
| O7 | C8 | C14 | H3 | 0.4° | 0.1° |
| C42 | C49 | C50 | C54 | 125.1° | 120.0° |
| C42 | C49 | C50 | C58 | 121.3° | 120.0° |
| C42 | C49 | C54 | C58 | 122.6° | 120.0° |
| C49 | C42 | C40 | H17 | 0.2° | 0.0° |
| C49 | C42 | C43 | H18 | 0.2° | 0.0° |
| C42 | C49 | C50 | H21 | 180.0° | 60.0° |
| C42 | C49 | C50 | H22 | 60.0° | 180.0° |
| C42 | C49 | C50 | H23 | 60.0° | 59.9° |
| C42 | C49 | C54 | H24 | 180.0° | 60.0° |
| C42 | C49 | C54 | H25 | 60.0° | 180.0° |
| C42 | C49 | C54 | H26 | 60.0° | 60.1° |
| C42 | C49 | C58 | H27 | 180.0° | 60.0° |
| C42 | C49 | C58 | H28 | 60.0° | 180.0° |
| C42 | C49 | C58 | H29 | 60.0° | 60.0° |
| C8 | C14 | C13 | H3 | 180.0° | 179.8° |
| C8 | C14 | C13 | C16 | 179.1° | 179.7° |
| C8 | C14 | C13 | C11 | 0.2° | 0.5° |
| C14 | C8 | C9 | N65 | 179.8° | 179.8° |
| C14 | C8 | C9 | C10 | 0.3° | 0.3° |
| C14 | C13 | C16 | C11 | 179.3° | 179.8° |
| C13 | C14 | C8 | C9 | 0.2° | 0.5° |
| C14 | C13 | C11 | C10 | 0.2° | 0.2° |
| C14 | C13 | C11 | H2 | 179.8° | 179.8° |
| C14 | C13 | C16 | H4 | 14.6° | 30.2° |
| C14 | C13 | C16 | H5 | 133.7° | 150.3° |
| C16 | C13 | C11 | C10 | 179.1° | 180.0° |
| C16 | C13 | C11 | H2 | 0.9° | 0.1° |
| C16 | C13 | C14 | H3 | 0.9° | 0.1° |
| C13 | C16 | H4 | H5 | 118.6° | 120.1° |
| C13 | C16 | C19 | H6 | 62.6° | 55.0° |
| C8 | C9 | N65 | C10 | 179.9° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C8 | C9 | C10 | F64 | 179.5° | 179.9° |
| C9 | C8 | C14 | H3 | 179.8° | 179.7° |
| C8 | C9 | N65 | H31 | 180.0° | 0.0° |
| C8 | C9 | N65 | H32 | 60.0° | 180.0° |
| C13 | C11 | C10 | C9 | 0.2° | 0.0° |
| C13 | C11 | C10 | H2 | 180.0° | 180.0° |
| C13 | C11 | C10 | F64 | 179.5° | 180.0° |
| C11 | C13 | C14 | H3 | 179.8° | 179.7° |
| C11 | C13 | C16 | H4 | 166.1° | 150.0° |
| C11 | C13 | C16 | H5 | 47.0° | 29.9° |
| N65 | C9 | C10 | C11 | 179.8° | 179.9° |
| N65 | C9 | C10 | F64 | 0.4° | 0.0° |
| C9 | N65 | H31 | H32 | 120.0° | 180.0° |
| C9 | C10 | C11 | F64 | 179.7° | 179.9° |
| C9 | C10 | C11 | H2 | 179.8° | 180.0° |
| C10 | C9 | N65 | H31 | 0.1° | 180.0° |
| C10 | C9 | N65 | H32 | 119.9° | 0.0° |
| C50 | C49 | C54 | C58 | 116.0° | 120.0° |
| C49 | C50 | H21 | H22 | 120.0° | 120.0° |
| C49 | C50 | H21 | H23 | 120.0° | 119.9° |
| C49 | C50 | H22 | H23 | 120.0° | 120.0° |
| C50 | C49 | C54 | H24 | 58.6° | 179.9° |
| C50 | C49 | C54 | H25 | 61.4° | 59.9° |
| C50 | C49 | C54 | H26 | 178.6° | 60.0° |
| C50 | C49 | C58 | H27 | 59.9° | 60.0° |
| C50 | C49 | C58 | H28 | 180.0° | 60.0° |
| C50 | C49 | C58 | H29 | 60.1° | 180.0° |
| C54 | C49 | C50 | H21 | 54.9° | 60.0° |
| C54 | C49 | C50 | H22 | 174.9° | 60.0° |
| C54 | C49 | C50 | H23 | 65.1° | 180.0° |
| C49 | C54 | H24 | H25 | 120.0° | 120.0° |
| C49 | C54 | H24 | H26 | 120.0° | 120.1° |
| C49 | C54 | H25 | H26 | 120.0° | 120.0° |
| C54 | C49 | C58 | H27 | 54.8° | 180.0° |
| C54 | C49 | C58 | H28 | 65.2° | 60.0° |
| C54 | C49 | C58 | H29 | 174.8° | 59.9° |
| C58 | C49 | C50 | H21 | 58.7° | 180.0° |
| C58 | C49 | C50 | H22 | 61.3° | 60.0° |
| C58 | C49 | C50 | H23 | 178.7° | 60.0° |
| C58 | C49 | C54 | H24 | 57.4° | 59.9° |
| C58 | C49 | C54 | H25 | 177.4° | 60.0° |
| C58 | C49 | C54 | H26 | 62.6° | 180.0° |
| C49 | C58 | H27 | H28 | 120.0° | 119.9° |
| C49 | C58 | H27 | H29 | 120.0° | 120.1° |
| C49 | C58 | H28 | H29 | 120.0° | 120.0° |
| F64 | C10 | C11 | H2 | 0.5° | 0.0° |
| H1 | C5 | C68 | H33 | 159.4° | 65.0° |
| H1 | C5 | C68 | H34 | 80.8° | 55.0° |
| H4 | C16 | C19 | H6 | 176.9° | 65.0° |
| H5 | C16 | C19 | H6 | 57.9° | 175.0° |
| H6 | C19 | C21 | H7 | 175.0° | 170.4° |
| H6 | C19 | C29 | H11 | 71.7° | 176.2° |
| H6 | C19 | C29 | H12 | 168.1° | 63.5° |
| H7 | C21 | C23 | H8 | 179.2° | 170.5° |
| H7 | C21 | O62 | H30 | 63.0° | 60.6° |
| H8 | C23 | C25 | H9 | 179.3° | 63.3° |
| H8 | C23 | C25 | H10 | 59.7° | 176.4° |
| H8 | C23 | N34 | H13 | 173.5° | 159.2° |
| H13 | N34 | C36 | H15 | 62.9° | 63.9° |
| H13 | N34 | C36 | H16 | 56.7° | 176.1° |
| H18 | C43 | C45 | H19 | 0.1° | 0.1° |
| H19 | C45 | C47 | H20 | 0.0° | 0.1° |
| H21 | C50 | H22 | H23 | 120.0° | 120.0° |
| H24 | C54 | H25 | H26 | 120.0° | 120.0° |
| H27 | C58 | H28 | H29 | 120.0° | 120.0° |
| H35 | C72 | C75 | H37 | 60.0° | 180.0° |
| H35 | C72 | C75 | H38 | 180.0° | 60.0° |
| H35 | C72 | C75 | H39 | 60.0° | 60.0° |
| H36 | C72 | C75 | H37 | 59.9° | 60.0° |
| H36 | C72 | C75 | H38 | 60.1° | 180.0° |
| H36 | C72 | C75 | H39 | 180.0° | 60.0° |
| H37 | C75 | H38 | H39 | 120.0° | 120.0° |
