XDB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | S12 | sing | 1.76Å | 1.67Å | |
| C2 | F3 | sing | 1.35Å | 1.35Å | |
| C2 | C4 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | S6 | sing | 1.76Å | 1.63Å | |
| C5 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| S6 | O7 | doub | 1.42Å | 1.42Å | |
| S6 | N8 | sing | 1.66Å | 1.61Å | |
| S6 | O9 | doub | 1.42Å | 1.44Å | |
| C10 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| S12 | C13 | sing | 1.81Å | 1.81Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C19 | sing | 1.53Å | 1.58Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C16 | N17 | sing | 1.47Å | 1.47Å | |
| N17 | C18 | sing | 1.47Å | 1.48Å | |
| N17 | C20 | sing | 1.35Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | O40 | doub | 1.21Å | 1.26Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.51Å | 1.47Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C36 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C29 | N30 | sing | 1.47Å | 1.42Å | |
| N30 | N31 | sing | 1.29Å | 1.38Å | Aromatic |
| N30 | N34 | sing | 1.29Å | 1.42Å | Aromatic |
| N31 | N32 | doub | 1.29Å | 1.31Å | Aromatic |
| N32 | C33 | sing | 1.33Å | 1.45Å | Aromatic |
| C33 | N34 | doub | 1.31Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.51Å | 1.48Å | |
| C36 | F37 | sing | 1.40Å | 1.30Å | |
| C36 | F38 | sing | 1.40Å | 1.31Å | |
| C36 | F39 | sing | 1.40Å | 1.34Å | |
| C10 | H44 | sing | 1.08Å | 1.08Å | |
| C11 | H45 | sing | 1.08Å | 1.08Å | |
| C13 | H46 | sing | 1.09Å | 1.10Å | |
| C13 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H49 | sing | 1.09Å | 1.10Å | |
| C15 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.09Å | 1.10Å | |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| C18 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H56 | sing | 1.09Å | 1.10Å | |
| C19 | H55 | sing | 1.09Å | 1.10Å | |
| C21 | H58 | sing | 1.09Å | 1.10Å | |
| C21 | H57 | sing | 1.09Å | 1.10Å | |
| C22 | H59 | sing | 1.09Å | 1.10Å | |
| C22 | H60 | sing | 1.09Å | 1.10Å | |
| C24 | H61 | sing | 1.08Å | 1.08Å | |
| C25 | H62 | sing | 1.08Å | 1.08Å | |
| C27 | H63 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| C14 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H65 | sing | 1.09Å | 1.10Å | |
| C29 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C11 | 118.4° | 119.8° |
| C2 | C1 | S12 | 115.3° | 120.1° |
| C1 | C2 | F3 | 121.0° | 120.0° |
| C1 | C2 | C4 | 121.7° | 119.9° |
| C11 | C1 | S12 | 126.3° | 120.1° |
| C1 | C11 | C10 | 120.3° | 119.9° |
| C1 | C11 | H45 | 119.9° | 120.0° |
| C1 | S12 | C13 | 108.9° | 103.0° |
| F3 | C2 | C4 | 117.3° | 120.1° |
| C2 | C4 | C5 | 120.0° | 120.1° |
| C2 | C4 | H41 | 120.0° | 120.0° |
| C4 | C5 | S6 | 121.7° | 119.9° |
| C4 | C5 | C10 | 118.6° | 120.2° |
| C5 | C4 | H41 | 120.0° | 120.0° |
| S6 | C5 | C10 | 119.7° | 119.9° |
| C5 | S6 | O7 | 104.8° | 106.4° |
| C5 | S6 | N8 | 102.4° | 107.2° |
| C5 | S6 | O9 | 113.0° | 106.4° |
| C5 | C10 | C11 | 120.8° | 120.1° |
| C5 | C10 | H44 | 119.6° | 119.9° |
| O7 | S6 | N8 | 108.6° | 106.4° |
| O7 | S6 | O9 | 118.9° | 123.2° |
| N8 | S6 | O9 | 107.8° | 106.4° |
| S6 | N8 | H43 | 109.5° | 120.1° |
| S6 | N8 | H42 | 109.5° | 120.0° |
| C11 | C10 | H44 | 119.6° | 120.0° |
| C10 | C11 | H45 | 119.8° | 120.0° |
| S12 | C13 | C14 | 107.9° | 109.5° |
| S12 | C13 | H46 | 109.9° | 109.5° |
| S12 | C13 | H47 | 109.9° | 109.5° |
| C13 | C14 | C15 | 105.3° | 109.5° |
| C13 | C14 | C19 | 117.2° | 109.5° |
| C14 | C13 | H46 | 109.9° | 109.5° |
| C14 | C13 | H47 | 109.9° | 109.5° |
| C13 | C14 | H48 | 108.0° | 109.4° |
| C15 | C14 | C19 | 110.0° | 109.5° |
| C14 | C15 | C16 | 107.8° | 109.3° |
| C14 | C15 | H49 | 109.9° | 109.5° |
| C14 | C15 | H50 | 109.9° | 109.5° |
| C15 | C14 | H48 | 108.3° | 109.5° |
| C14 | C19 | C18 | 111.3° | 109.3° |
| C14 | C19 | H56 | 109.0° | 109.5° |
| C14 | C19 | H55 | 109.0° | 109.5° |
| C19 | C14 | H48 | 107.6° | 109.4° |
| C15 | C16 | N17 | 106.0° | 108.8° |
| C16 | C15 | H49 | 109.9° | 109.5° |
| C16 | C15 | H50 | 109.9° | 109.5° |
| C15 | C16 | H51 | 110.3° | 109.6° |
| C15 | C16 | H52 | 110.4° | 109.6° |
| C16 | N17 | C18 | 111.7° | 118.7° |
| C16 | N17 | C20 | 115.8° | 120.7° |
| N17 | C16 | H51 | 110.3° | 109.6° |
| N17 | C16 | H52 | 110.3° | 109.6° |
| C18 | N17 | C20 | 125.5° | 120.6° |
| N17 | C18 | C19 | 110.6° | 108.8° |
| N17 | C18 | H53 | 109.2° | 109.6° |
| N17 | C18 | H54 | 109.2° | 109.7° |
| N17 | C20 | C21 | 116.1° | 120.0° |
| N17 | C20 | O40 | 120.7° | 120.0° |
| C19 | C18 | H53 | 109.2° | 109.6° |
| C19 | C18 | H54 | 109.2° | 109.6° |
| C18 | C19 | H56 | 109.0° | 109.5° |
| C18 | C19 | H55 | 109.0° | 109.5° |
| C21 | C20 | O40 | 123.1° | 120.0° |
| C20 | C21 | C22 | 110.1° | 109.5° |
| C20 | C21 | H58 | 109.4° | 109.5° |
| C20 | C21 | H57 | 109.3° | 109.5° |
| C21 | C22 | C23 | 108.1° | 109.5° |
| C22 | C21 | H58 | 109.3° | 109.4° |
| C22 | C21 | H57 | 109.3° | 109.4° |
| C21 | C22 | H59 | 109.9° | 109.4° |
| C21 | C22 | H60 | 109.8° | 109.5° |
| C22 | C23 | C24 | 116.5° | 120.0° |
| C22 | C23 | C28 | 124.4° | 120.0° |
| C23 | C22 | H59 | 109.8° | 109.5° |
| C23 | C22 | H60 | 109.8° | 109.5° |
| C24 | C23 | C28 | 119.1° | 120.0° |
| C23 | C24 | C25 | 121.3° | 120.0° |
| C23 | C24 | H61 | 119.3° | 119.9° |
| C23 | C28 | C27 | 119.9° | 120.0° |
| C23 | C28 | C29 | 124.1° | 120.0° |
| C24 | C25 | C26 | 119.1° | 120.0° |
| C25 | C24 | H61 | 119.3° | 120.0° |
| C24 | C25 | H62 | 120.5° | 120.0° |
| C25 | C26 | C27 | 120.9° | 120.0° |
| C25 | C26 | C36 | 121.0° | 120.0° |
| C26 | C25 | H62 | 120.5° | 120.0° |
| C27 | C26 | C36 | 118.0° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C26 | C27 | H63 | 120.1° | 119.9° |
| C26 | C36 | F37 | 116.6° | 109.5° |
| C26 | C36 | F38 | 114.4° | 109.4° |
| C26 | C36 | F39 | 113.9° | 109.5° |
| C27 | C28 | C29 | 115.3° | 120.0° |
| C28 | C27 | H63 | 120.2° | 120.0° |
| C28 | C29 | N30 | 109.6° | 109.5° |
| C28 | C29 | H65 | 109.5° | 109.4° |
| C28 | C29 | H64 | 109.4° | 109.5° |
| C29 | N30 | N31 | 124.3° | 125.5° |
| C29 | N30 | N34 | 123.1° | 125.4° |
| N30 | C29 | H65 | 109.4° | 109.5° |
| N30 | C29 | H64 | 109.5° | 109.5° |
| N31 | N30 | N34 | 112.5° | 109.1° |
| N30 | N31 | N32 | 106.5° | 108.7° |
| N30 | N34 | C33 | 103.0° | 107.9° |
| N31 | N32 | C33 | 110.2° | 107.4° |
| N32 | C33 | N34 | 107.9° | 106.9° |
| N32 | C33 | C35 | 123.6° | 126.5° |
| N34 | C33 | C35 | 128.5° | 126.6° |
| C33 | C35 | H66 | 109.5° | 109.4° |
| C33 | C35 | H68 | 109.5° | 109.4° |
| C33 | C35 | H67 | 109.4° | 109.4° |
| F37 | C36 | F38 | 97.5° | 109.5° |
| F37 | C36 | F39 | 107.0° | 109.5° |
| F38 | C36 | F39 | 105.7° | 109.5° |
| H46 | C13 | H47 | 109.4° | 109.4° |
| H49 | C15 | H50 | 109.5° | 109.5° |
| H51 | C16 | H52 | 109.4° | 109.7° |
| H53 | C18 | H54 | 109.5° | 109.6° |
| H56 | C19 | H55 | 109.5° | 109.5° |
| H58 | C21 | H57 | 109.4° | 109.5° |
| H59 | C22 | H60 | 109.5° | 109.5° |
| H43 | N8 | H42 | 109.5° | 119.9° |
| H65 | C29 | H64 | 109.5° | 109.5° |
| H66 | C35 | H68 | 109.5° | 109.5° |
| H66 | C35 | H67 | 109.5° | 109.5° |
| H68 | C35 | H67 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C11 | S12 | 177.8° | 180.0° |
| C1 | C2 | F3 | C4 | 178.7° | 180.0° |
| C1 | C2 | C4 | C5 | 1.4° | 0.2° |
| C2 | C1 | C11 | C10 | 3.0° | 0.0° |
| C2 | C1 | S12 | C13 | 178.0° | 180.0° |
| C2 | C1 | C11 | H45 | 177.0° | 180.0° |
| C1 | C2 | C4 | H41 | 178.6° | 180.0° |
| C11 | C1 | C2 | F3 | 174.9° | 180.0° |
| C11 | C1 | C2 | C4 | 3.8° | 0.0° |
| C1 | C11 | C10 | C5 | 0.1° | 0.3° |
| C1 | C11 | C10 | H45 | 180.0° | 180.0° |
| C11 | C1 | S12 | C13 | 0.1° | 0.0° |
| C1 | C11 | C10 | H44 | 179.9° | 180.0° |
| S12 | C1 | C2 | F3 | 7.1° | 0.0° |
| S12 | C1 | C2 | C4 | 174.3° | 180.0° |
| S12 | C1 | C11 | C10 | 174.8° | 180.0° |
| C1 | S12 | C13 | C14 | 130.7° | 180.0° |
| S12 | C1 | C11 | H45 | 5.2° | 0.0° |
| C1 | S12 | C13 | H46 | 109.5° | 60.0° |
| C1 | S12 | C13 | H47 | 10.9° | 60.0° |
| F3 | C2 | C4 | C5 | 177.3° | 179.7° |
| F3 | C2 | C4 | H41 | 2.6° | 0.1° |
| C2 | C4 | C5 | H41 | 180.0° | 179.8° |
| C2 | C4 | C5 | S6 | 177.5° | 180.0° |
| C2 | C4 | C5 | C10 | 1.8° | 0.5° |
| C4 | C5 | S6 | C10 | 179.2° | 179.5° |
| C4 | C5 | S6 | O7 | 147.4° | 23.6° |
| C4 | C5 | S6 | N8 | 99.3° | 89.9° |
| C4 | C5 | S6 | O9 | 16.4° | 156.5° |
| C4 | C5 | C10 | C11 | 2.5° | 0.5° |
| C4 | C5 | C10 | H44 | 177.5° | 179.8° |
| C5 | S6 | O7 | N8 | 108.8° | 114.1° |
| C5 | S6 | O7 | O9 | 127.5° | 123.0° |
| C5 | S6 | N8 | O9 | 119.4° | 113.5° |
| S6 | C5 | C10 | C11 | 176.8° | 180.0° |
| S6 | C5 | C10 | H44 | 3.2° | 0.2° |
| S6 | C5 | C4 | H41 | 2.5° | 0.2° |
| C5 | S6 | N8 | H43 | 180.0° | 0.0° |
| C5 | S6 | N8 | H42 | 60.0° | 180.0° |
| C10 | C5 | S6 | O7 | 31.8° | 156.0° |
| C10 | C5 | S6 | N8 | 81.5° | 90.5° |
| C10 | C5 | S6 | O9 | 162.8° | 23.0° |
| C5 | C10 | C11 | H44 | 180.0° | 179.7° |
| C5 | C10 | C11 | H45 | 179.9° | 179.8° |
| C10 | C5 | C4 | H41 | 178.2° | 179.7° |
| O7 | S6 | N8 | O9 | 130.1° | 133.0° |
| O7 | S6 | N8 | H43 | 69.5° | 113.5° |
| O7 | S6 | N8 | H42 | 50.5° | 66.5° |
| S6 | N8 | H43 | H42 | 120.0° | 180.0° |
| O9 | S6 | N8 | H43 | 60.6° | 113.5° |
| O9 | S6 | N8 | H42 | 179.4° | 66.5° |
| S12 | C13 | C14 | H46 | 119.8° | 120.0° |
| S12 | C13 | C14 | H47 | 119.8° | 120.0° |
| S12 | C13 | C14 | C15 | 168.5° | 175.0° |
| S12 | C13 | C14 | C19 | 45.8° | 64.9° |
| S12 | C13 | H46 | H47 | 120.7° | 120.0° |
| S12 | C13 | C14 | H48 | 75.9° | 55.0° |
| C13 | C14 | C15 | C19 | 127.2° | 120.0° |
| C13 | C14 | C15 | H48 | 115.4° | 120.0° |
| C13 | C14 | C19 | H48 | 121.9° | 119.9° |
| C13 | C14 | C15 | C16 | 173.1° | 178.6° |
| C13 | C14 | C19 | C18 | 168.4° | 178.6° |
| C14 | C13 | H46 | H47 | 120.8° | 120.0° |
| C13 | C14 | C15 | H49 | 53.4° | 61.4° |
| C13 | C14 | C15 | H50 | 67.1° | 58.6° |
| C13 | C14 | C19 | H56 | 48.1° | 58.6° |
| C13 | C14 | C19 | H55 | 71.3° | 61.4° |
| C15 | C14 | C19 | H48 | 117.8° | 120.0° |
| C14 | C15 | C16 | H49 | 119.7° | 119.9° |
| C14 | C15 | C16 | H50 | 119.7° | 120.0° |
| C14 | C15 | C16 | N17 | 69.4° | 54.7° |
| C15 | C14 | C19 | C18 | 48.2° | 61.3° |
| C15 | C14 | C13 | H46 | 71.8° | 55.0° |
| C15 | C14 | C13 | H47 | 48.7° | 65.0° |
| C14 | C15 | H49 | H50 | 120.8° | 120.0° |
| C14 | C15 | C16 | H51 | 50.1° | 65.1° |
| C14 | C15 | C16 | H52 | 171.1° | 174.4° |
| C15 | C14 | C19 | H56 | 72.1° | 178.7° |
| C15 | C14 | C19 | H55 | 168.5° | 58.6° |
| C19 | C14 | C15 | C16 | 59.7° | 61.3° |
| C14 | C19 | C18 | N17 | 46.4° | 54.6° |
| C14 | C19 | C18 | H56 | 120.2° | 120.0° |
| C14 | C19 | C18 | H55 | 120.2° | 120.0° |
| C19 | C14 | C13 | H46 | 165.6° | 175.1° |
| C19 | C14 | C13 | H47 | 73.9° | 55.1° |
| C19 | C14 | C15 | H49 | 179.4° | 58.6° |
| C19 | C14 | C15 | H50 | 60.0° | 178.7° |
| C14 | C19 | C18 | H53 | 73.8° | 174.4° |
| C14 | C19 | C18 | H54 | 166.5° | 65.3° |
| C14 | C19 | H56 | H55 | 119.1° | 120.1° |
| C15 | C16 | N17 | H51 | 119.5° | 119.8° |
| C15 | C16 | N17 | H52 | 119.5° | 119.8° |
| C15 | C16 | N17 | C18 | 69.9° | 53.6° |
| C15 | C16 | N17 | C20 | 82.5° | 126.4° |
| C16 | C15 | H49 | H50 | 120.8° | 120.1° |
| C15 | C16 | H51 | H52 | 121.6° | 120.4° |
| C16 | C15 | C14 | H48 | 57.7° | 58.6° |
| C16 | N17 | C18 | C20 | 149.1° | 180.0° |
| C16 | N17 | C18 | C19 | 58.3° | 53.6° |
| C16 | N17 | C20 | C21 | 173.4° | 180.0° |
| C16 | N17 | C20 | O40 | 5.2° | 0.1° |
| N17 | C16 | C15 | H49 | 170.9° | 65.3° |
| N17 | C16 | C15 | H50 | 50.3° | 174.6° |
| N17 | C16 | H51 | H52 | 121.6° | 120.3° |
| C16 | N17 | C18 | H53 | 61.9° | 173.4° |
| C16 | N17 | C18 | H54 | 178.5° | 66.3° |
| N17 | C18 | C19 | H53 | 120.2° | 119.8° |
| N17 | C18 | C19 | H54 | 120.1° | 119.9° |
| C18 | N17 | C20 | C21 | 38.6° | 0.1° |
| C18 | N17 | C20 | O40 | 142.9° | 180.0° |
| C18 | N17 | C16 | H51 | 49.6° | 66.2° |
| C18 | N17 | C16 | H52 | 170.6° | 173.4° |
| N17 | C18 | H53 | H54 | 119.5° | 120.4° |
| N17 | C18 | C19 | H56 | 73.9° | 174.6° |
| N17 | C18 | C19 | H55 | 166.6° | 65.4° |
| C20 | N17 | C18 | C19 | 90.8° | 126.4° |
| N17 | C20 | C21 | O40 | 178.5° | 179.9° |
| N17 | C20 | C21 | C22 | 166.1° | 180.0° |
| C20 | N17 | C16 | H51 | 158.0° | 113.8° |
| C20 | N17 | C16 | H52 | 37.0° | 6.6° |
| C20 | N17 | C18 | H53 | 149.0° | 6.6° |
| C20 | N17 | C18 | H54 | 29.3° | 113.7° |
| N17 | C20 | C21 | H58 | 46.0° | 60.0° |
| N17 | C20 | C21 | H57 | 73.8° | 60.1° |
| C19 | C18 | H53 | H54 | 119.5° | 120.3° |
| C18 | C19 | H56 | H55 | 119.2° | 120.0° |
| C18 | C19 | C14 | H48 | 69.7° | 58.7° |
| C20 | C21 | C22 | H58 | 120.1° | 120.0° |
| C20 | C21 | C22 | H57 | 120.1° | 120.0° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C20 | C21 | H58 | H57 | 119.7° | 120.1° |
| C20 | C21 | C22 | H59 | 59.6° | 60.0° |
| C20 | C21 | C22 | H60 | 60.8° | 60.0° |
| O40 | C20 | C21 | C22 | 15.3° | 0.0° |
| O40 | C20 | C21 | H58 | 135.5° | 119.9° |
| O40 | C20 | C21 | H57 | 104.7° | 120.0° |
| C21 | C22 | C23 | H59 | 119.8° | 120.0° |
| C21 | C22 | C23 | H60 | 119.8° | 120.0° |
| C21 | C22 | C23 | C24 | 97.1° | 95.0° |
| C21 | C22 | C23 | C28 | 84.7° | 84.7° |
| C22 | C21 | H58 | H57 | 119.7° | 119.9° |
| C21 | C22 | H59 | H60 | 120.7° | 120.0° |
| C22 | C23 | C24 | C28 | 178.3° | 179.7° |
| C22 | C23 | C24 | C25 | 177.6° | 180.0° |
| C22 | C23 | C28 | C27 | 179.6° | 179.8° |
| C22 | C23 | C28 | C29 | 10.0° | 0.0° |
| C23 | C22 | C21 | H58 | 60.5° | 60.0° |
| C23 | C22 | C21 | H57 | 59.3° | 60.0° |
| C23 | C22 | H59 | H60 | 120.6° | 120.0° |
| C22 | C23 | C24 | H61 | 2.4° | 0.0° |
| C23 | C24 | C25 | H61 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.4° | 0.0° |
| C24 | C23 | C28 | C27 | 1.4° | 0.5° |
| C24 | C23 | C28 | C29 | 168.2° | 179.7° |
| C24 | C23 | C22 | H59 | 22.7° | 145.0° |
| C24 | C23 | C22 | H60 | 143.1° | 25.0° |
| C23 | C24 | C25 | H62 | 178.6° | 179.9° |
| C28 | C23 | C24 | C25 | 0.7° | 0.2° |
| C23 | C28 | C27 | C26 | 2.9° | 0.4° |
| C23 | C28 | C27 | C29 | 170.5° | 179.8° |
| C23 | C28 | C29 | N30 | 115.6° | 85.0° |
| C28 | C23 | C22 | H59 | 155.5° | 35.2° |
| C28 | C23 | C22 | H60 | 35.1° | 155.3° |
| C28 | C23 | C24 | H61 | 179.3° | 179.8° |
| C23 | C28 | C27 | H63 | 177.2° | 179.7° |
| C23 | C28 | C29 | H65 | 124.4° | 155.0° |
| C23 | C28 | C29 | H64 | 4.5° | 35.0° |
| C24 | C25 | C26 | H62 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | C36 | 177.6° | 179.9° |
| C25 | C26 | C27 | C36 | 177.8° | 179.9° |
| C25 | C26 | C27 | C28 | 2.2° | 0.2° |
| C25 | C26 | C36 | F37 | 50.5° | 0.0° |
| C25 | C26 | C36 | F38 | 62.3° | 120.0° |
| C25 | C26 | C36 | F39 | 175.9° | 120.0° |
| C26 | C25 | C24 | H61 | 178.6° | 180.0° |
| C25 | C26 | C27 | H63 | 177.8° | 180.0° |
| C26 | C27 | C28 | H63 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 167.6° | 179.7° |
| C27 | C26 | C36 | F37 | 131.8° | 180.0° |
| C27 | C26 | C36 | F38 | 115.4° | 60.0° |
| C27 | C26 | C36 | F39 | 6.3° | 59.9° |
| C27 | C26 | C25 | H62 | 179.9° | 180.0° |
| C36 | C26 | C27 | C28 | 175.5° | 179.9° |
| C26 | C36 | F37 | F38 | 122.1° | 120.0° |
| C26 | C36 | F37 | F39 | 128.9° | 120.0° |
| C26 | C36 | F38 | F39 | 126.2° | 120.0° |
| C36 | C26 | C25 | H62 | 2.4° | 0.0° |
| C36 | C26 | C27 | H63 | 4.5° | 0.0° |
| C27 | C28 | C29 | N30 | 74.4° | 94.8° |
| C27 | C28 | C29 | H65 | 45.6° | 25.2° |
| C27 | C28 | C29 | H64 | 165.5° | 145.2° |
| C28 | C29 | N30 | H65 | 120.0° | 119.9° |
| C28 | C29 | N30 | H64 | 120.0° | 120.0° |
| C28 | C29 | N30 | N31 | 94.8° | 90.0° |
| C28 | C29 | N30 | N34 | 86.3° | 90.3° |
| C29 | C28 | C27 | H63 | 12.4° | 0.1° |
| C28 | C29 | H65 | H64 | 119.9° | 120.0° |
| C29 | N30 | N31 | N34 | 179.0° | 179.8° |
| C29 | N30 | N31 | N32 | 178.6° | 180.0° |
| C29 | N30 | N34 | C33 | 178.3° | 179.9° |
| N30 | C29 | H65 | H64 | 119.9° | 120.1° |
| N30 | N31 | N32 | C33 | 0.1° | 0.0° |
| N31 | N30 | N34 | C33 | 0.7° | 0.3° |
| N31 | N30 | C29 | H65 | 25.2° | 29.9° |
| N31 | N30 | C29 | H64 | 145.2° | 150.0° |
| N34 | N30 | N31 | N32 | 0.3° | 0.2° |
| N30 | N34 | C33 | N32 | 0.7° | 0.3° |
| N30 | N34 | C33 | C35 | 179.2° | 179.9° |
| N34 | N30 | C29 | H65 | 153.6° | 149.8° |
| N34 | N30 | C29 | H64 | 33.7° | 29.7° |
| N31 | N32 | C33 | N34 | 0.5° | 0.2° |
| N31 | N32 | C33 | C35 | 179.2° | 180.0° |
| N32 | C33 | N34 | C35 | 178.5° | 179.8° |
| N32 | C33 | C35 | H66 | 0.0° | 90.0° |
| N32 | C33 | C35 | H68 | 120.0° | 150.0° |
| N32 | C33 | C35 | H67 | 120.0° | 30.0° |
| N34 | C33 | C35 | H66 | 178.3° | 89.7° |
| N34 | C33 | C35 | H68 | 61.7° | 30.3° |
| N34 | C33 | C35 | H67 | 58.3° | 150.2° |
| C33 | C35 | H66 | H68 | 120.0° | 119.9° |
| C33 | C35 | H66 | H67 | 120.0° | 120.0° |
| C33 | C35 | H68 | H67 | 120.0° | 119.9° |
| F37 | C36 | F38 | F39 | 110.1° | 120.1° |
| H44 | C10 | C11 | H45 | 0.1° | 0.0° |
| H46 | C13 | C14 | H48 | 43.9° | 65.0° |
| H47 | C13 | C14 | H48 | 164.3° | 175.0° |
| H49 | C15 | C16 | H51 | 69.7° | 174.9° |
| H49 | C15 | C16 | H52 | 51.4° | 54.5° |
| H49 | C15 | C14 | H48 | 62.0° | 178.6° |
| H50 | C15 | C16 | H51 | 169.8° | 54.8° |
| H50 | C15 | C16 | H52 | 69.1° | 65.6° |
| H50 | C15 | C14 | H48 | 177.5° | 61.3° |
| H53 | C18 | C19 | H56 | 165.9° | 65.6° |
| H53 | C18 | C19 | H55 | 46.4° | 54.4° |
| H54 | C18 | C19 | H56 | 46.3° | 54.7° |
| H54 | C18 | C19 | H55 | 73.2° | 174.7° |
| H56 | C19 | C14 | H48 | 170.1° | 61.3° |
| H55 | C19 | C14 | H48 | 50.6° | 178.6° |
| H58 | C21 | C22 | H59 | 179.7° | 179.9° |
| H58 | C21 | C22 | H60 | 59.3° | 60.0° |
| H57 | C21 | C22 | H59 | 60.5° | 60.0° |
| H57 | C21 | C22 | H60 | 179.1° | 180.0° |
| H61 | C24 | C25 | H62 | 1.4° | 0.1° |
| H66 | C35 | H68 | H67 | 120.0° | 120.1° |
