XR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| N1 | C19 | sing | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C5 | sing | 1.47Å | 1.48Å | |
| N4 | C7 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | F18 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | S12 | sing | 1.76Å | 1.77Å | |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| S12 | O13 | doub | 1.42Å | 1.44Å | |
| S12 | O14 | doub | 1.42Å | 1.45Å | |
| S12 | N15 | sing | 1.66Å | 1.58Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | O39 | doub | 1.21Å | 1.21Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C35 | sing | 1.51Å | 1.49Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | N29 | sing | 1.46Å | 1.44Å | |
| N29 | N30 | sing | 1.29Å | 1.32Å | Aromatic |
| N29 | N33 | sing | 1.29Å | 1.33Å | Aromatic |
| N30 | N31 | doub | 1.29Å | 1.32Å | Aromatic |
| N31 | C32 | sing | 1.33Å | 1.35Å | Aromatic |
| C32 | N33 | doub | 1.31Å | 1.32Å | Aromatic |
| C32 | C34 | sing | 1.51Å | 1.49Å | |
| C35 | F36 | sing | 1.40Å | 1.31Å | |
| C35 | F37 | sing | 1.40Å | 1.34Å | |
| C35 | F38 | sing | 1.40Å | 1.32Å | |
| C10 | H50 | sing | 1.08Å | 1.08Å | |
| C16 | H53 | sing | 1.08Å | 1.08Å | |
| C17 | H54 | sing | 1.08Å | 1.08Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| C20 | H55 | sing | 1.09Å | 1.10Å | |
| C21 | H57 | sing | 1.09Å | 1.10Å | |
| C21 | H58 | sing | 1.09Å | 1.10Å | |
| C23 | H59 | sing | 1.08Å | 1.08Å | |
| C24 | H60 | sing | 1.08Å | 1.08Å | |
| C26 | H61 | sing | 1.08Å | 1.08Å | |
| C28 | H63 | sing | 1.09Å | 1.10Å | |
| C28 | H62 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| C6 | H47 | sing | 1.09Å | 1.10Å | |
| C7 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.09Å | 1.10Å | |
| N15 | H52 | sing | 0.97Å | 1.00Å | |
| N15 | H51 | sing | 0.97Å | 1.00Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 108.8° | 118.2° |
| C2 | N1 | C19 | 121.7° | 120.9° |
| N1 | C2 | C3 | 109.2° | 108.6° |
| N1 | C2 | H41 | 109.5° | 109.6° |
| N1 | C2 | H40 | 109.5° | 109.6° |
| C6 | N1 | C19 | 129.4° | 120.9° |
| N1 | C6 | C5 | 108.9° | 108.5° |
| N1 | C6 | H46 | 109.6° | 109.6° |
| N1 | C6 | H47 | 109.6° | 109.6° |
| N1 | C19 | C20 | 119.1° | 120.0° |
| N1 | C19 | O39 | 121.6° | 120.0° |
| C2 | C3 | N4 | 110.0° | 109.3° |
| C3 | C2 | H41 | 109.6° | 109.6° |
| C3 | C2 | H40 | 109.5° | 109.6° |
| C2 | C3 | H43 | 109.3° | 109.5° |
| C2 | C3 | H42 | 109.3° | 109.5° |
| C3 | N4 | C5 | 110.1° | 111.3° |
| C3 | N4 | C7 | 112.8° | 111.0° |
| N4 | C3 | H43 | 109.3° | 109.4° |
| N4 | C3 | H42 | 109.3° | 109.5° |
| C5 | N4 | C7 | 114.1° | 111.0° |
| N4 | C5 | C6 | 110.8° | 109.3° |
| N4 | C5 | H45 | 109.1° | 109.5° |
| N4 | C5 | H44 | 109.2° | 109.5° |
| N4 | C7 | C8 | 119.3° | 109.5° |
| N4 | C7 | H48 | 107.0° | 109.4° |
| N4 | C7 | H49 | 107.0° | 109.4° |
| C6 | C5 | H45 | 109.2° | 109.5° |
| C6 | C5 | H44 | 109.1° | 109.5° |
| C5 | C6 | H46 | 109.6° | 109.7° |
| C5 | C6 | H47 | 109.6° | 109.6° |
| C7 | C8 | C9 | 123.6° | 120.0° |
| C7 | C8 | C17 | 119.6° | 120.0° |
| C8 | C7 | H48 | 106.9° | 109.5° |
| C8 | C7 | H49 | 107.0° | 109.5° |
| C9 | C8 | C17 | 116.5° | 119.9° |
| C8 | C9 | C10 | 124.0° | 120.0° |
| C8 | C9 | F18 | 118.3° | 120.0° |
| C8 | C17 | C16 | 121.4° | 120.0° |
| C8 | C17 | H54 | 119.3° | 120.0° |
| C10 | C9 | F18 | 117.7° | 120.0° |
| C9 | C10 | C11 | 117.7° | 120.0° |
| C9 | C10 | H50 | 121.1° | 120.0° |
| C10 | C11 | S12 | 119.5° | 120.0° |
| C10 | C11 | C16 | 120.7° | 120.0° |
| C11 | C10 | H50 | 121.2° | 120.0° |
| S12 | C11 | C16 | 119.8° | 120.0° |
| C11 | S12 | O13 | 107.0° | 106.4° |
| C11 | S12 | O14 | 107.8° | 106.4° |
| C11 | S12 | N15 | 110.0° | 107.3° |
| C11 | C16 | C17 | 119.7° | 120.1° |
| C11 | C16 | H53 | 120.2° | 120.0° |
| O13 | S12 | O14 | 119.1° | 123.1° |
| O13 | S12 | N15 | 106.6° | 106.4° |
| O14 | S12 | N15 | 106.2° | 106.4° |
| S12 | N15 | H52 | 109.5° | 120.0° |
| S12 | N15 | H51 | 109.5° | 120.0° |
| C17 | C16 | H53 | 120.1° | 120.0° |
| C16 | C17 | H54 | 119.3° | 120.0° |
| C20 | C19 | O39 | 119.3° | 120.0° |
| C19 | C20 | C21 | 112.4° | 109.5° |
| C19 | C20 | H56 | 108.7° | 109.5° |
| C19 | C20 | H55 | 108.7° | 109.5° |
| C20 | C21 | C22 | 112.5° | 109.5° |
| C21 | C20 | H56 | 108.7° | 109.5° |
| C21 | C20 | H55 | 108.7° | 109.5° |
| C20 | C21 | H57 | 108.7° | 109.5° |
| C20 | C21 | H58 | 108.7° | 109.5° |
| C21 | C22 | C23 | 117.1° | 120.0° |
| C21 | C22 | C27 | 124.0° | 120.0° |
| C22 | C21 | H57 | 108.7° | 109.5° |
| C22 | C21 | H58 | 108.7° | 109.5° |
| C23 | C22 | C27 | 118.9° | 120.0° |
| C22 | C23 | C24 | 121.6° | 120.0° |
| C22 | C23 | H59 | 119.2° | 120.0° |
| C22 | C27 | C26 | 118.5° | 120.0° |
| C22 | C27 | C28 | 121.8° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C24 | C23 | H59 | 119.2° | 120.0° |
| C23 | C24 | H60 | 119.9° | 120.0° |
| C24 | C25 | C26 | 118.4° | 120.0° |
| C24 | C25 | C35 | 120.3° | 120.0° |
| C25 | C24 | H60 | 119.8° | 120.0° |
| C26 | C25 | C35 | 121.3° | 120.0° |
| C25 | C26 | C27 | 122.2° | 120.0° |
| C25 | C26 | H61 | 118.9° | 120.0° |
| C25 | C35 | F36 | 111.6° | 109.5° |
| C25 | C35 | F37 | 113.0° | 109.5° |
| C25 | C35 | F38 | 113.3° | 109.5° |
| C26 | C27 | C28 | 119.4° | 120.0° |
| C27 | C26 | H61 | 118.9° | 120.0° |
| C27 | C28 | N29 | 114.6° | 109.5° |
| C27 | C28 | H63 | 108.2° | 109.5° |
| C27 | C28 | H62 | 108.2° | 109.4° |
| C28 | N29 | N30 | 123.0° | 125.4° |
| C28 | N29 | N33 | 123.0° | 125.5° |
| N29 | C28 | H63 | 108.2° | 109.5° |
| N29 | C28 | H62 | 108.2° | 109.5° |
| N30 | N29 | N33 | 114.0° | 109.1° |
| N29 | N30 | N31 | 105.9° | 108.7° |
| N29 | N33 | C32 | 101.4° | 107.9° |
| N30 | N31 | C32 | 106.2° | 107.3° |
| N31 | C32 | N33 | 112.4° | 106.9° |
| N31 | C32 | C34 | 125.1° | 126.5° |
| N33 | C32 | C34 | 122.4° | 126.5° |
| C32 | C34 | H64 | 109.5° | 109.5° |
| C32 | C34 | H66 | 109.5° | 109.5° |
| C32 | C34 | H65 | 109.5° | 109.5° |
| F36 | C35 | F37 | 103.3° | 109.5° |
| F36 | C35 | F38 | 109.5° | 109.4° |
| F37 | C35 | F38 | 105.5° | 109.5° |
| H56 | C20 | H55 | 109.5° | 109.5° |
| H57 | C21 | H58 | 109.5° | 109.5° |
| H63 | C28 | H62 | 109.5° | 109.5° |
| H41 | C2 | H40 | 109.5° | 109.8° |
| H43 | C3 | H42 | 109.5° | 109.5° |
| H45 | C5 | H44 | 109.5° | 109.5° |
| H46 | C6 | H47 | 109.5° | 109.8° |
| H48 | C7 | H49 | 109.4° | 109.4° |
| H52 | N15 | H51 | 109.5° | 119.9° |
| H64 | C34 | H66 | 109.4° | 109.5° |
| H64 | C34 | H65 | 109.5° | 109.4° |
| H66 | C34 | H65 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C19 | 176.3° | 179.8° |
| N1 | C2 | C3 | H41 | 120.0° | 119.7° |
| N1 | C2 | C3 | H40 | 120.0° | 119.7° |
| N1 | C2 | C3 | N4 | 61.4° | 53.8° |
| C2 | N1 | C6 | C5 | 61.2° | 51.2° |
| C2 | N1 | C19 | C20 | 179.7° | 180.0° |
| C2 | N1 | C19 | O39 | 2.5° | 0.1° |
| N1 | C2 | H41 | H40 | 120.1° | 120.5° |
| N1 | C2 | C3 | H43 | 58.7° | 66.1° |
| N1 | C2 | C3 | H42 | 178.6° | 173.8° |
| C2 | N1 | C6 | H46 | 58.7° | 68.6° |
| C2 | N1 | C6 | H47 | 178.9° | 170.9° |
| C6 | N1 | C2 | C3 | 63.2° | 51.2° |
| N1 | C6 | C5 | N4 | 57.9° | 53.8° |
| N1 | C6 | C5 | H46 | 119.9° | 119.8° |
| N1 | C6 | C5 | H47 | 119.9° | 119.7° |
| C6 | N1 | C19 | C20 | 4.4° | 0.2° |
| C6 | N1 | C19 | O39 | 178.4° | 179.7° |
| C6 | N1 | C2 | H41 | 176.8° | 170.9° |
| C6 | N1 | C2 | H40 | 56.7° | 68.5° |
| N1 | C6 | C5 | H45 | 62.3° | 66.1° |
| N1 | C6 | C5 | H44 | 178.1° | 173.8° |
| N1 | C6 | H46 | H47 | 120.2° | 120.5° |
| C19 | N1 | C2 | C3 | 113.4° | 129.0° |
| C19 | N1 | C6 | C5 | 115.1° | 129.0° |
| N1 | C19 | C20 | O39 | 177.2° | 179.9° |
| N1 | C19 | C20 | C21 | 159.7° | 179.9° |
| N1 | C19 | C20 | H56 | 39.3° | 60.0° |
| N1 | C19 | C20 | H55 | 79.8° | 60.0° |
| C19 | N1 | C2 | H41 | 6.5° | 9.4° |
| C19 | N1 | C2 | H40 | 126.6° | 111.2° |
| C19 | N1 | C6 | H46 | 125.0° | 111.2° |
| C19 | N1 | C6 | H47 | 4.8° | 9.3° |
| C2 | C3 | N4 | H43 | 120.1° | 119.9° |
| C2 | C3 | N4 | H42 | 120.1° | 120.0° |
| C2 | C3 | N4 | C5 | 57.4° | 63.1° |
| C2 | C3 | N4 | C7 | 173.9° | 172.7° |
| C3 | C2 | H41 | H40 | 120.1° | 120.5° |
| C2 | C3 | H43 | H42 | 119.8° | 120.1° |
| C3 | N4 | C5 | C7 | 128.0° | 124.2° |
| C3 | N4 | C5 | C6 | 56.1° | 63.1° |
| C3 | N4 | C7 | C8 | 67.3° | 170.0° |
| N4 | C3 | C2 | H41 | 178.7° | 173.5° |
| N4 | C3 | C2 | H40 | 58.6° | 65.9° |
| N4 | C3 | H43 | H42 | 119.8° | 120.1° |
| C3 | N4 | C5 | H45 | 64.1° | 56.9° |
| C3 | N4 | C5 | H44 | 176.2° | 177.0° |
| C3 | N4 | C7 | H48 | 54.1° | 70.0° |
| C3 | N4 | C7 | H49 | 171.3° | 49.9° |
| N4 | C5 | C6 | H45 | 120.2° | 120.0° |
| N4 | C5 | C6 | H44 | 120.2° | 120.0° |
| C5 | N4 | C7 | C8 | 59.3° | 65.7° |
| C5 | N4 | C3 | H43 | 62.7° | 56.8° |
| C5 | N4 | C3 | H42 | 177.5° | 176.9° |
| N4 | C5 | H45 | H44 | 119.4° | 120.1° |
| N4 | C5 | C6 | H46 | 62.0° | 65.9° |
| N4 | C5 | C6 | H47 | 177.8° | 173.5° |
| C5 | N4 | C7 | H48 | 179.3° | 54.4° |
| C5 | N4 | C7 | H49 | 62.2° | 174.3° |
| C7 | N4 | C5 | C6 | 176.0° | 172.7° |
| N4 | C7 | C8 | H48 | 121.4° | 120.0° |
| N4 | C7 | C8 | H49 | 121.4° | 120.0° |
| N4 | C7 | C8 | C9 | 92.3° | 80.0° |
| N4 | C7 | C8 | C17 | 93.4° | 100.6° |
| C7 | N4 | C3 | H43 | 66.0° | 67.4° |
| C7 | N4 | C3 | H42 | 53.9° | 52.7° |
| C7 | N4 | C5 | H45 | 63.8° | 67.3° |
| C7 | N4 | C5 | H44 | 55.8° | 52.7° |
| N4 | C7 | H48 | H49 | 115.5° | 119.9° |
| C6 | C5 | H45 | H44 | 119.4° | 120.1° |
| C5 | C6 | H46 | H47 | 120.3° | 120.5° |
| C7 | C8 | C9 | C17 | 174.5° | 179.4° |
| C7 | C8 | C9 | C10 | 176.5° | 180.0° |
| C7 | C8 | C9 | F18 | 3.8° | 0.0° |
| C7 | C8 | C17 | C16 | 177.1° | 179.7° |
| C7 | C8 | C17 | H54 | 2.9° | 0.4° |
| C8 | C7 | H48 | H49 | 115.5° | 120.0° |
| C8 | C9 | C10 | F18 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.6° |
| C9 | C8 | C17 | C16 | 2.4° | 0.2° |
| C8 | C9 | C10 | H50 | 179.7° | 179.7° |
| C9 | C8 | C17 | H54 | 177.6° | 179.8° |
| C9 | C8 | C7 | H48 | 146.3° | 40.0° |
| C9 | C8 | C7 | H49 | 29.1° | 160.0° |
| C17 | C8 | C9 | C10 | 2.0° | 0.6° |
| C17 | C8 | C9 | F18 | 178.2° | 179.4° |
| C8 | C17 | C16 | C11 | 0.5° | 0.1° |
| C8 | C17 | C16 | H54 | 180.0° | 180.0° |
| C8 | C17 | C16 | H53 | 179.5° | 180.0° |
| C17 | C8 | C7 | H48 | 28.0° | 139.4° |
| C17 | C8 | C7 | H49 | 145.2° | 19.4° |
| C9 | C10 | C11 | H50 | 180.0° | 179.7° |
| C9 | C10 | C11 | S12 | 179.1° | 179.7° |
| C9 | C10 | C11 | C16 | 2.3° | 0.3° |
| F18 | C9 | C10 | C11 | 179.5° | 179.4° |
| F18 | C9 | C10 | H50 | 0.6° | 0.3° |
| C10 | C11 | S12 | C16 | 178.6° | 180.0° |
| C10 | C11 | S12 | O13 | 169.8° | 23.5° |
| C10 | C11 | S12 | O14 | 40.6° | 156.4° |
| C10 | C11 | S12 | N15 | 74.8° | 90.0° |
| C10 | C11 | C16 | C17 | 1.9° | 0.0° |
| C10 | C11 | C16 | H53 | 178.1° | 180.0° |
| C11 | S12 | O13 | O14 | 122.4° | 123.0° |
| C11 | S12 | O13 | N15 | 117.6° | 114.1° |
| C11 | S12 | O14 | N15 | 117.8° | 114.1° |
| S12 | C11 | C16 | C17 | 179.5° | 180.0° |
| S12 | C11 | C10 | H50 | 0.9° | 0.0° |
| S12 | C11 | C16 | H53 | 0.5° | 0.1° |
| C11 | S12 | N15 | H52 | 180.0° | 0.0° |
| C11 | S12 | N15 | H51 | 60.0° | 180.0° |
| C16 | C11 | S12 | O13 | 8.8° | 156.5° |
| C16 | C11 | S12 | O14 | 138.0° | 23.6° |
| C16 | C11 | S12 | N15 | 106.6° | 90.0° |
| C11 | C16 | C17 | H53 | 180.0° | 179.9° |
| C16 | C11 | C10 | H50 | 177.7° | 180.0° |
| C11 | C16 | C17 | H54 | 179.5° | 179.9° |
| O13 | S12 | O14 | N15 | 120.1° | 122.9° |
| O13 | S12 | N15 | H52 | 64.3° | 113.6° |
| O13 | S12 | N15 | H51 | 175.7° | 66.4° |
| O14 | S12 | N15 | H52 | 63.7° | 113.5° |
| O14 | S12 | N15 | H51 | 56.4° | 66.4° |
| S12 | N15 | H52 | H51 | 120.0° | 180.0° |
| C19 | C20 | C21 | H56 | 120.4° | 120.0° |
| C19 | C20 | C21 | H55 | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 179.9° | 180.0° |
| C19 | C20 | H56 | H55 | 118.7° | 120.0° |
| C19 | C20 | C21 | H57 | 59.4° | 60.0° |
| C19 | C20 | C21 | H58 | 59.7° | 60.0° |
| O39 | C19 | C20 | C21 | 23.0° | 0.0° |
| O39 | C19 | C20 | H56 | 143.4° | 120.0° |
| O39 | C19 | C20 | H55 | 97.4° | 119.9° |
| C20 | C21 | C22 | H57 | 120.5° | 120.0° |
| C20 | C21 | C22 | H58 | 120.4° | 120.0° |
| C20 | C21 | C22 | C23 | 96.9° | 95.0° |
| C20 | C21 | C22 | C27 | 82.9° | 84.7° |
| C21 | C20 | H56 | H55 | 118.7° | 120.0° |
| C20 | C21 | H57 | H58 | 118.6° | 120.0° |
| C21 | C22 | C23 | C27 | 179.8° | 179.7° |
| C21 | C22 | C23 | C24 | 178.5° | 180.0° |
| C21 | C22 | C27 | C26 | 178.7° | 179.8° |
| C21 | C22 | C27 | C28 | 4.5° | 0.0° |
| C22 | C21 | C20 | H56 | 59.7° | 60.0° |
| C22 | C21 | C20 | H55 | 59.5° | 60.0° |
| C22 | C21 | H57 | H58 | 118.6° | 120.0° |
| C21 | C22 | C23 | H59 | 1.5° | 0.0° |
| C22 | C23 | C24 | H59 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 2.5° | 0.1° |
| C23 | C22 | C27 | C26 | 1.5° | 0.5° |
| C23 | C22 | C27 | C28 | 175.7° | 179.7° |
| C23 | C22 | C21 | H57 | 23.6° | 145.0° |
| C23 | C22 | C21 | H58 | 142.7° | 25.0° |
| C22 | C23 | C24 | H60 | 177.5° | 180.0° |
| C27 | C22 | C23 | C24 | 1.3° | 0.3° |
| C22 | C27 | C26 | C25 | 3.3° | 0.5° |
| C22 | C27 | C26 | C28 | 174.3° | 179.7° |
| C22 | C27 | C28 | N29 | 116.5° | 84.9° |
| C27 | C22 | C21 | H57 | 156.6° | 35.3° |
| C27 | C22 | C21 | H58 | 37.5° | 155.3° |
| C27 | C22 | C23 | H59 | 178.7° | 179.7° |
| C22 | C27 | C26 | H61 | 176.7° | 179.7° |
| C22 | C27 | C28 | H63 | 122.7° | 155.0° |
| C22 | C27 | C28 | H62 | 4.3° | 35.0° |
| C23 | C24 | C25 | H60 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.8° | 0.0° |
| C23 | C24 | C25 | C35 | 177.7° | 180.0° |
| C24 | C25 | C26 | C35 | 178.5° | 180.0° |
| C24 | C25 | C26 | C27 | 2.1° | 0.2° |
| C24 | C25 | C35 | F36 | 47.6° | 0.0° |
| C24 | C25 | C35 | F37 | 68.3° | 120.0° |
| C24 | C25 | C35 | F38 | 171.7° | 120.0° |
| C25 | C24 | C23 | H59 | 177.5° | 180.0° |
| C24 | C25 | C26 | H61 | 177.9° | 180.0° |
| C25 | C26 | C27 | H61 | 180.0° | 179.8° |
| C25 | C26 | C27 | C28 | 177.6° | 179.8° |
| C26 | C25 | C35 | F36 | 134.0° | 180.0° |
| C26 | C25 | C35 | F37 | 110.1° | 60.0° |
| C26 | C25 | C35 | F38 | 9.8° | 60.0° |
| C26 | C25 | C24 | H60 | 179.2° | 180.0° |
| C35 | C25 | C26 | C27 | 179.4° | 179.8° |
| C25 | C35 | F36 | F37 | 121.7° | 120.0° |
| C25 | C35 | F36 | F38 | 126.2° | 120.0° |
| C25 | C35 | F37 | F38 | 124.3° | 120.0° |
| C35 | C25 | C24 | H60 | 2.3° | 0.0° |
| C35 | C25 | C26 | H61 | 0.6° | 0.0° |
| C26 | C27 | C28 | N29 | 69.4° | 94.8° |
| C26 | C27 | C28 | H63 | 51.3° | 25.3° |
| C26 | C27 | C28 | H62 | 169.8° | 145.2° |
| C27 | C28 | N29 | H63 | 120.7° | 120.0° |
| C27 | C28 | N29 | H62 | 120.8° | 120.0° |
| C27 | C28 | N29 | N30 | 96.3° | 90.0° |
| C27 | C28 | N29 | N33 | 84.0° | 90.2° |
| C28 | C27 | C26 | H61 | 2.4° | 0.0° |
| C27 | C28 | H63 | H62 | 117.7° | 120.0° |
| C28 | N29 | N30 | N33 | 179.8° | 179.8° |
| C28 | N29 | N30 | N31 | 179.2° | 180.0° |
| C28 | N29 | N33 | C32 | 178.0° | 179.9° |
| N29 | C28 | H63 | H62 | 117.7° | 120.0° |
| N29 | N30 | N31 | C32 | 0.9° | 0.0° |
| N30 | N29 | N33 | C32 | 1.8° | 0.4° |
| N30 | N29 | C28 | H63 | 24.4° | 30.0° |
| N30 | N29 | C28 | H62 | 142.9° | 150.0° |
| N33 | N29 | N30 | N31 | 0.6° | 0.2° |
| N29 | N33 | C32 | N31 | 2.3° | 0.4° |
| N29 | N33 | C32 | C34 | 179.7° | 179.9° |
| N33 | N29 | C28 | H63 | 155.3° | 149.7° |
| N33 | N29 | C28 | H62 | 36.8° | 29.7° |
| N30 | N31 | C32 | N33 | 2.2° | 0.2° |
| N30 | N31 | C32 | C34 | 179.4° | 180.0° |
| N31 | C32 | N33 | C34 | 177.3° | 179.7° |
| N31 | C32 | C34 | H64 | 0.0° | 89.9° |
| N31 | C32 | C34 | H66 | 120.0° | 150.0° |
| N31 | C32 | C34 | H65 | 120.0° | 30.0° |
| N33 | C32 | C34 | H64 | 177.0° | 89.7° |
| N33 | C32 | C34 | H66 | 63.1° | 30.3° |
| N33 | C32 | C34 | H65 | 56.9° | 150.3° |
| C32 | C34 | H64 | H66 | 120.0° | 120.0° |
| C32 | C34 | H64 | H65 | 120.0° | 120.0° |
| C32 | C34 | H66 | H65 | 120.0° | 120.0° |
| F36 | C35 | F37 | F38 | 115.0° | 119.9° |
| H53 | C16 | C17 | H54 | 0.5° | 0.0° |
| H56 | C20 | C21 | H57 | 179.9° | 180.0° |
| H56 | C20 | C21 | H58 | 60.8° | 60.0° |
| H55 | C20 | C21 | H57 | 61.0° | 60.0° |
| H55 | C20 | C21 | H58 | 179.9° | 180.0° |
| H59 | C23 | C24 | H60 | 2.5° | 0.0° |
| H41 | C2 | C3 | H43 | 61.2° | 53.6° |
| H41 | C2 | C3 | H42 | 58.6° | 66.5° |
| H40 | C2 | C3 | H43 | 178.7° | 174.2° |
| H40 | C2 | C3 | H42 | 61.4° | 54.1° |
| H45 | C5 | C6 | H46 | 177.8° | 174.1° |
| H45 | C5 | C6 | H47 | 57.6° | 53.6° |
| H44 | C5 | C6 | H46 | 58.2° | 54.0° |
| H44 | C5 | C6 | H47 | 62.0° | 66.5° |
| H64 | C34 | H66 | H65 | 120.0° | 120.0° |
