A1BW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | C37 | sing | 1.43Å | 1.43Å | |
| C38 | C37 | sing | 1.53Å | 1.50Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C36 | N35 | sing | 1.47Å | 1.44Å | |
| N35 | C33 | sing | 1.35Å | 1.37Å | |
| O9 | C8 | doub | 1.22Å | 1.22Å | |
| N11 | C10 | sing | 1.32Å | 1.37Å | Aromatic |
| N11 | C12 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | C10 | sing | 1.47Å | 1.47Å | |
| C8 | N7 | sing | 1.35Å | 1.36Å | |
| C33 | C12 | sing | 1.47Å | 1.42Å | |
| C33 | O34 | doub | 1.22Å | 1.23Å | |
| C6 | N7 | sing | 1.47Å | 1.44Å | |
| C6 | C5 | sing | 1.55Å | 1.50Å | |
| C10 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | S13 | sing | 1.76Å | 1.71Å | Aromatic |
| N7 | C2 | sing | 1.47Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C5 | C4 | sing | 1.55Å | 1.51Å | |
| C14 | S13 | sing | 1.71Å | 1.74Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.44Å | |
| C2 | C4 | sing | 1.54Å | 1.51Å | |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C21 | sing | 1.40Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| F27 | C25 | sing | 1.40Å | 1.34Å | |
| F30 | C29 | sing | 1.40Å | 1.34Å | |
| C21 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | CL22 | sing | 1.74Å | 1.74Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.51Å | 1.54Å | |
| C25 | F26 | sing | 1.40Å | 1.37Å | |
| C25 | C23 | sing | 1.53Å | 1.49Å | |
| C25 | F28 | sing | 1.40Å | 1.34Å | |
| C29 | C23 | sing | 1.53Å | 1.53Å | |
| C29 | F31 | sing | 1.40Å | 1.34Å | |
| C29 | F32 | sing | 1.40Å | 1.33Å | |
| C19 | CL20 | sing | 1.74Å | 1.73Å | |
| C23 | O24 | sing | 1.43Å | 1.40Å | |
| C16 | H50 | sing | 1.08Å | 1.08Å | |
| C17 | H51 | sing | 1.08Å | 1.08Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C5 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C6 | H48 | sing | 1.09Å | 1.10Å | |
| C6 | H49 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| N35 | H53 | sing | 0.97Å | 1.00Å | |
| O24 | H52 | sing | 0.97Å | 0.95Å | |
| O40 | H62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C37 | C38 | 108.8° | 109.5° |
| O40 | C37 | C36 | 112.4° | 109.5° |
| O40 | C37 | C39 | 108.2° | 109.4° |
| C37 | O40 | H62 | 109.5° | 114.0° |
| C38 | C37 | C36 | 106.7° | 109.5° |
| C38 | C37 | C39 | 110.6° | 109.5° |
| C37 | C38 | H56 | 109.5° | 109.5° |
| C37 | C38 | H58 | 109.5° | 109.5° |
| C37 | C38 | H57 | 109.4° | 109.4° |
| C36 | C37 | C39 | 110.3° | 109.5° |
| C37 | C36 | N35 | 109.7° | 109.5° |
| C37 | C36 | H54 | 109.4° | 109.5° |
| C37 | C36 | H55 | 109.4° | 109.4° |
| C37 | C39 | H60 | 109.5° | 109.4° |
| C37 | C39 | H61 | 109.5° | 109.5° |
| C37 | C39 | H59 | 109.5° | 109.5° |
| C36 | N35 | C33 | 120.2° | 120.0° |
| N35 | C36 | H54 | 109.4° | 109.5° |
| N35 | C36 | H55 | 109.4° | 109.4° |
| C36 | N35 | H53 | 119.8° | 120.0° |
| N35 | C33 | C12 | 112.9° | 120.0° |
| N35 | C33 | O34 | 124.2° | 120.0° |
| C33 | N35 | H53 | 119.9° | 120.0° |
| O9 | C8 | C10 | 123.3° | 120.0° |
| O9 | C8 | N7 | 121.1° | 120.0° |
| C10 | N11 | C12 | 109.9° | 116.3° |
| N11 | C10 | C8 | 122.3° | 122.7° |
| N11 | C10 | C14 | 117.0° | 114.6° |
| N11 | C12 | C33 | 123.8° | 125.1° |
| N11 | C12 | S13 | 114.7° | 109.8° |
| C10 | C8 | N7 | 115.5° | 120.0° |
| C8 | C10 | C14 | 120.7° | 122.7° |
| C8 | N7 | C6 | 120.4° | 125.6° |
| C8 | N7 | C2 | 125.1° | 125.7° |
| C12 | C33 | O34 | 122.8° | 120.0° |
| C33 | C12 | S13 | 121.5° | 125.1° |
| N7 | C6 | C5 | 103.9° | 104.9° |
| C6 | N7 | C2 | 113.1° | 108.7° |
| N7 | C6 | H48 | 110.8° | 110.4° |
| N7 | C6 | H49 | 110.9° | 110.4° |
| C6 | C5 | C4 | 103.8° | 101.6° |
| C6 | C5 | H46 | 110.9° | 111.0° |
| C6 | C5 | H47 | 110.9° | 111.0° |
| C5 | C6 | H48 | 110.9° | 110.3° |
| C5 | C6 | H49 | 110.8° | 110.4° |
| C10 | C14 | S13 | 107.7° | 108.8° |
| C10 | C14 | C15 | 124.9° | 125.6° |
| C12 | S13 | C14 | 90.7° | 90.6° |
| N7 | C2 | C1 | 109.0° | 110.0° |
| N7 | C2 | C4 | 100.0° | 107.3° |
| N7 | C2 | H3 | 113.5° | 109.9° |
| C1 | C2 | C4 | 109.3° | 109.9° |
| C1 | C2 | H3 | 112.3° | 109.9° |
| C2 | C1 | H41 | 109.5° | 109.5° |
| C2 | C1 | H42 | 109.4° | 109.5° |
| C2 | C1 | H43 | 109.5° | 109.5° |
| C5 | C4 | C2 | 103.8° | 102.9° |
| C4 | C5 | H46 | 110.8° | 111.0° |
| C4 | C5 | H47 | 110.8° | 111.0° |
| C5 | C4 | H45 | 110.9° | 110.7° |
| C5 | C4 | H44 | 110.9° | 110.7° |
| S13 | C14 | C15 | 127.4° | 125.6° |
| C14 | C15 | C16 | 119.1° | 120.1° |
| C14 | C15 | C21 | 124.6° | 120.2° |
| C2 | C4 | H45 | 110.9° | 110.7° |
| C2 | C4 | H44 | 110.9° | 110.9° |
| C4 | C2 | H3 | 112.0° | 109.9° |
| C15 | C16 | C17 | 120.4° | 119.9° |
| C16 | C15 | C21 | 116.1° | 119.7° |
| C15 | C16 | H50 | 119.8° | 120.1° |
| C16 | C17 | C18 | 123.0° | 120.2° |
| C17 | C16 | H50 | 119.8° | 120.0° |
| C16 | C17 | H51 | 118.5° | 119.9° |
| C15 | C21 | C19 | 123.9° | 119.8° |
| C15 | C21 | CL22 | 117.6° | 120.1° |
| C17 | C18 | C19 | 116.3° | 120.3° |
| C17 | C18 | C23 | 118.9° | 119.8° |
| C18 | C17 | H51 | 118.5° | 119.9° |
| F27 | C25 | F26 | 108.9° | 109.4° |
| F27 | C25 | C23 | 114.8° | 109.5° |
| F27 | C25 | F28 | 106.5° | 109.5° |
| F30 | C29 | C23 | 111.8° | 109.5° |
| F30 | C29 | F31 | 109.7° | 109.5° |
| F30 | C29 | F32 | 112.1° | 109.5° |
| C19 | C21 | CL22 | 118.4° | 120.1° |
| C21 | C19 | C18 | 120.3° | 120.1° |
| C21 | C19 | CL20 | 117.8° | 119.9° |
| C19 | C18 | C23 | 124.6° | 119.8° |
| C18 | C19 | CL20 | 121.9° | 119.9° |
| C18 | C23 | C25 | 115.7° | 109.5° |
| C18 | C23 | C29 | 106.0° | 109.5° |
| C18 | C23 | O24 | 114.8° | 109.5° |
| F26 | C25 | C23 | 108.7° | 109.5° |
| F26 | C25 | F28 | 105.6° | 109.5° |
| C23 | C25 | F28 | 111.9° | 109.5° |
| C25 | C23 | C29 | 108.8° | 109.5° |
| C25 | C23 | O24 | 107.5° | 109.5° |
| C23 | C29 | F31 | 110.2° | 109.5° |
| C23 | C29 | F32 | 107.4° | 109.5° |
| C29 | C23 | O24 | 103.2° | 109.5° |
| F31 | C29 | F32 | 105.6° | 109.5° |
| C23 | O24 | H52 | 109.5° | 114.1° |
| H46 | C5 | H47 | 109.5° | 110.9° |
| H45 | C4 | H44 | 109.4° | 110.7° |
| H48 | C6 | H49 | 109.5° | 110.3° |
| H41 | C1 | H42 | 109.5° | 109.5° |
| H41 | C1 | H43 | 109.4° | 109.5° |
| H42 | C1 | H43 | 109.5° | 109.5° |
| H56 | C38 | H58 | 109.5° | 109.4° |
| H56 | C38 | H57 | 109.5° | 109.5° |
| H58 | C38 | H57 | 109.5° | 109.5° |
| H60 | C39 | H61 | 109.4° | 109.5° |
| H60 | C39 | H59 | 109.5° | 109.4° |
| H61 | C39 | H59 | 109.5° | 109.5° |
| H54 | C36 | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C37 | C38 | C36 | 121.4° | 120.0° |
| O40 | C37 | C38 | C39 | 118.7° | 120.0° |
| O40 | C37 | C36 | C39 | 120.8° | 120.0° |
| O40 | C37 | C36 | N35 | 50.5° | 64.9° |
| O40 | C37 | C38 | H56 | 180.0° | 180.0° |
| O40 | C37 | C38 | H58 | 60.0° | 60.0° |
| O40 | C37 | C38 | H57 | 60.0° | 60.0° |
| O40 | C37 | C39 | H60 | 180.0° | 180.0° |
| O40 | C37 | C39 | H61 | 60.0° | 60.0° |
| O40 | C37 | C39 | H59 | 60.0° | 60.1° |
| O40 | C37 | C36 | H54 | 69.6° | 175.0° |
| O40 | C37 | C36 | H55 | 170.5° | 55.0° |
| C38 | C37 | C36 | C39 | 120.1° | 120.0° |
| C38 | C37 | C36 | N35 | 169.6° | 175.0° |
| C37 | C38 | H56 | H58 | 120.0° | 120.0° |
| C37 | C38 | H56 | H57 | 120.0° | 120.0° |
| C37 | C38 | H58 | H57 | 120.0° | 120.0° |
| C38 | C37 | C39 | H60 | 61.0° | 60.0° |
| C38 | C37 | C39 | H61 | 59.0° | 180.0° |
| C38 | C37 | C39 | H59 | 179.0° | 59.9° |
| C38 | C37 | C36 | H54 | 49.6° | 55.0° |
| C38 | C37 | C36 | H55 | 70.4° | 65.1° |
| C38 | C37 | O40 | H62 | 180.0° | 60.0° |
| C37 | C36 | N35 | H54 | 120.0° | 120.1° |
| C37 | C36 | N35 | H55 | 120.0° | 119.9° |
| C37 | C36 | N35 | C33 | 119.5° | 180.0° |
| C36 | C37 | C38 | H56 | 58.6° | 60.0° |
| C36 | C37 | C38 | H58 | 61.4° | 179.9° |
| C36 | C37 | C38 | H57 | 178.6° | 60.0° |
| C36 | C37 | C39 | H60 | 56.7° | 60.0° |
| C36 | C37 | C39 | H61 | 176.7° | 60.0° |
| C36 | C37 | C39 | H59 | 63.3° | 179.9° |
| C37 | C36 | H54 | H55 | 119.9° | 120.0° |
| C37 | C36 | N35 | H53 | 60.5° | 0.1° |
| C36 | C37 | O40 | H62 | 62.1° | 180.0° |
| C39 | C37 | C36 | N35 | 70.3° | 55.0° |
| C39 | C37 | C38 | H56 | 61.3° | 60.0° |
| C39 | C37 | C38 | H58 | 178.7° | 60.0° |
| C39 | C37 | C38 | H57 | 58.7° | 180.0° |
| C37 | C39 | H60 | H61 | 120.0° | 120.0° |
| C37 | C39 | H60 | H59 | 120.0° | 120.0° |
| C37 | C39 | H61 | H59 | 120.0° | 120.1° |
| C39 | C37 | C36 | H54 | 169.6° | 65.0° |
| C39 | C37 | C36 | H55 | 49.7° | 174.9° |
| C39 | C37 | O40 | H62 | 59.9° | 60.0° |
| C36 | N35 | C33 | H53 | 180.0° | 179.9° |
| C36 | N35 | C33 | C12 | 159.2° | 180.0° |
| C36 | N35 | C33 | O34 | 17.4° | 0.1° |
| N35 | C36 | H54 | H55 | 119.9° | 120.0° |
| N35 | C33 | C12 | N11 | 9.3° | 0.0° |
| N35 | C33 | C12 | O34 | 176.7° | 179.9° |
| N35 | C33 | C12 | S13 | 173.5° | 180.0° |
| C33 | N35 | C36 | H54 | 120.5° | 59.9° |
| C33 | N35 | C36 | H55 | 0.6° | 60.1° |
| O9 | C8 | C10 | N11 | 75.9° | 172.2° |
| O9 | C8 | C10 | N7 | 177.7° | 180.0° |
| O9 | C8 | N7 | C6 | 2.5° | 180.0° |
| O9 | C8 | C10 | C14 | 103.0° | 7.8° |
| O9 | C8 | N7 | C2 | 168.0° | 0.0° |
| N11 | C10 | C8 | C14 | 178.8° | 180.0° |
| N11 | C10 | C8 | N7 | 106.5° | 7.8° |
| C10 | N11 | C12 | C33 | 177.1° | 180.0° |
| C10 | N11 | C12 | S13 | 0.3° | 0.0° |
| N11 | C10 | C14 | S13 | 0.4° | 0.0° |
| N11 | C10 | C14 | C15 | 179.1° | 179.7° |
| C12 | N11 | C10 | C8 | 179.3° | 180.0° |
| N11 | C12 | C33 | S13 | 177.3° | 180.0° |
| N11 | C12 | C33 | O34 | 167.4° | 180.0° |
| C12 | N11 | C10 | C14 | 0.4° | 0.0° |
| N11 | C12 | S13 | C14 | 0.1° | 0.0° |
| C10 | C8 | N7 | C6 | 179.8° | 0.0° |
| C10 | C8 | N7 | C2 | 14.3° | 180.0° |
| C8 | C10 | C14 | S13 | 179.3° | 180.0° |
| C8 | C10 | C14 | C15 | 2.0° | 0.2° |
| C8 | N7 | C6 | C2 | 167.1° | 180.0° |
| C8 | N7 | C6 | C5 | 176.6° | 155.9° |
| N7 | C8 | C10 | C14 | 74.7° | 172.2° |
| C8 | N7 | C2 | C1 | 82.3° | 59.5° |
| C8 | N7 | C2 | C4 | 163.2° | 179.0° |
| C8 | N7 | C6 | H48 | 57.5° | 85.2° |
| C8 | N7 | C6 | H49 | 64.3° | 37.0° |
| C8 | N7 | C2 | H3 | 43.8° | 61.6° |
| C33 | C12 | S13 | C14 | 177.4° | 180.0° |
| C12 | C33 | N35 | H53 | 20.7° | 0.1° |
| O34 | C33 | C12 | S13 | 9.9° | 0.0° |
| O34 | C33 | N35 | H53 | 162.7° | 180.0° |
| N7 | C6 | C5 | H48 | 119.1° | 118.9° |
| N7 | C6 | C5 | H49 | 119.1° | 118.9° |
| C6 | N7 | C2 | C1 | 84.2° | 120.5° |
| N7 | C6 | C5 | C4 | 15.9° | 37.0° |
| C6 | N7 | C2 | C4 | 30.3° | 1.0° |
| N7 | C6 | C5 | H46 | 103.2° | 155.1° |
| N7 | C6 | C5 | H47 | 135.0° | 81.1° |
| N7 | C6 | H48 | H49 | 122.6° | 122.3° |
| C6 | N7 | C2 | H3 | 149.8° | 118.4° |
| C5 | C6 | N7 | C2 | 9.5° | 24.1° |
| C6 | C5 | C4 | H46 | 119.1° | 118.1° |
| C6 | C5 | C4 | H47 | 119.1° | 118.1° |
| C6 | C5 | C4 | C2 | 34.2° | 35.5° |
| C6 | C5 | H46 | H47 | 122.6° | 123.9° |
| C6 | C5 | C4 | H45 | 153.3° | 153.8° |
| C6 | C5 | C4 | H44 | 84.9° | 83.1° |
| C5 | C6 | H48 | H49 | 122.6° | 122.2° |
| C10 | C14 | S13 | C12 | 0.1° | 0.0° |
| C10 | C14 | S13 | C15 | 178.7° | 179.8° |
| C10 | C14 | C15 | C16 | 53.6° | 102.6° |
| C10 | C14 | C15 | C21 | 121.0° | 77.4° |
| C12 | S13 | C14 | C15 | 178.8° | 179.8° |
| N7 | C2 | C1 | C4 | 108.3° | 117.9° |
| N7 | C2 | C1 | H3 | 126.7° | 121.1° |
| N7 | C2 | C4 | C5 | 38.6° | 22.2° |
| N7 | C2 | C4 | H3 | 120.5° | 119.4° |
| N7 | C2 | C4 | H45 | 157.7° | 140.6° |
| N7 | C2 | C4 | H44 | 80.5° | 96.2° |
| C2 | N7 | C6 | H48 | 109.6° | 94.8° |
| C2 | N7 | C6 | H49 | 128.6° | 143.0° |
| N7 | C2 | C1 | H41 | 180.0° | 177.9° |
| N7 | C2 | C1 | H42 | 60.0° | 62.1° |
| N7 | C2 | C1 | H43 | 60.0° | 57.9° |
| C1 | C2 | C4 | C5 | 75.7° | 97.4° |
| C1 | C2 | C4 | H3 | 125.2° | 121.0° |
| C1 | C2 | C4 | H45 | 43.4° | 21.0° |
| C1 | C2 | C4 | H44 | 165.2° | 144.2° |
| C2 | C1 | H41 | H42 | 120.0° | 120.0° |
| C2 | C1 | H41 | H43 | 120.0° | 120.0° |
| C2 | C1 | H42 | H43 | 120.0° | 120.0° |
| C5 | C4 | C2 | H45 | 119.1° | 118.3° |
| C5 | C4 | C2 | H44 | 119.1° | 118.5° |
| C4 | C5 | H46 | H47 | 122.6° | 123.9° |
| C5 | C4 | H45 | H44 | 122.7° | 123.2° |
| C4 | C5 | C6 | H48 | 135.0° | 81.9° |
| C4 | C5 | C6 | H49 | 103.2° | 155.9° |
| C5 | C4 | C2 | H3 | 159.2° | 141.6° |
| S13 | C14 | C15 | C16 | 128.0° | 77.1° |
| S13 | C14 | C15 | C21 | 57.4° | 102.9° |
| C14 | C15 | C16 | C21 | 175.1° | 180.0° |
| C14 | C15 | C16 | C17 | 174.3° | 179.9° |
| C14 | C15 | C21 | C19 | 173.8° | 180.0° |
| C14 | C15 | C21 | CL22 | 3.6° | 0.0° |
| C14 | C15 | C16 | H50 | 5.7° | 0.2° |
| C2 | C4 | C5 | H46 | 84.9° | 153.6° |
| C2 | C4 | C5 | H47 | 153.3° | 82.6° |
| C2 | C4 | H45 | H44 | 122.6° | 123.3° |
| C4 | C2 | C1 | H41 | 71.7° | 60.0° |
| C4 | C2 | C1 | H42 | 168.3° | 180.0° |
| C4 | C2 | C1 | H43 | 48.3° | 60.0° |
| C15 | C16 | C17 | H50 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C21 | C19 | 1.0° | 0.0° |
| C16 | C15 | C21 | CL22 | 178.4° | 180.0° |
| C15 | C16 | C17 | H51 | 179.9° | 180.0° |
| C17 | C16 | C15 | C21 | 0.8° | 0.0° |
| C16 | C17 | C18 | H51 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.8° | 0.0° |
| C16 | C17 | C18 | C23 | 176.3° | 179.9° |
| C15 | C21 | C19 | CL22 | 177.3° | 180.0° |
| C15 | C21 | C19 | C18 | 0.3° | 0.0° |
| C15 | C21 | C19 | CL20 | 177.9° | 180.0° |
| C21 | C15 | C16 | H50 | 179.2° | 179.7° |
| C17 | C18 | C19 | C21 | 0.6° | 0.0° |
| C17 | C18 | C19 | C23 | 177.0° | 179.9° |
| C17 | C18 | C23 | C25 | 37.5° | 96.8° |
| C17 | C18 | C23 | C29 | 83.2° | 23.2° |
| C17 | C18 | C19 | CL20 | 178.7° | 180.0° |
| C17 | C18 | C23 | O24 | 163.6° | 143.2° |
| C18 | C17 | C16 | H50 | 179.9° | 179.7° |
| F27 | C25 | C23 | C18 | 73.1° | 174.9° |
| F27 | C25 | F26 | C23 | 125.7° | 120.0° |
| F27 | C25 | F26 | F28 | 114.1° | 120.0° |
| F27 | C25 | C23 | F28 | 121.5° | 120.0° |
| F27 | C25 | C23 | C29 | 46.0° | 54.9° |
| F27 | C25 | C23 | O24 | 157.2° | 65.1° |
| F30 | C29 | C23 | C18 | 57.3° | 68.1° |
| F30 | C29 | C23 | C25 | 67.7° | 52.0° |
| F30 | C29 | C23 | F31 | 122.2° | 120.0° |
| F30 | C29 | C23 | F32 | 123.3° | 120.0° |
| F30 | C29 | F31 | F32 | 120.9° | 120.0° |
| F30 | C29 | C23 | O24 | 178.3° | 172.0° |
| C21 | C19 | C18 | CL20 | 178.1° | 180.0° |
| C21 | C19 | C18 | C23 | 176.4° | 180.0° |
| CL22 | C21 | C19 | C18 | 177.6° | 180.0° |
| CL22 | C21 | C19 | CL20 | 0.6° | 0.1° |
| C19 | C18 | C23 | C25 | 145.6° | 83.1° |
| C19 | C18 | C23 | C29 | 93.7° | 156.9° |
| C19 | C18 | C23 | O24 | 19.5° | 36.9° |
| C19 | C18 | C17 | H51 | 179.2° | 179.9° |
| C18 | C23 | C25 | F26 | 49.1° | 54.9° |
| C18 | C23 | C25 | C29 | 119.1° | 120.0° |
| C18 | C23 | C25 | O24 | 129.7° | 120.0° |
| C18 | C23 | C25 | F28 | 165.4° | 65.1° |
| C18 | C23 | C29 | O24 | 121.0° | 120.0° |
| C18 | C23 | C29 | F31 | 64.9° | 51.9° |
| C18 | C23 | C29 | F32 | 179.4° | 171.9° |
| C23 | C18 | C19 | CL20 | 1.8° | 0.0° |
| C23 | C18 | C17 | H51 | 3.7° | 0.0° |
| C18 | C23 | O24 | H52 | 180.0° | 47.8° |
| F26 | C25 | C23 | F28 | 116.2° | 120.0° |
| F26 | C25 | C23 | C29 | 168.3° | 65.1° |
| F26 | C25 | C23 | O24 | 80.6° | 174.9° |
| C25 | C23 | C29 | O24 | 114.0° | 120.0° |
| C25 | C23 | C29 | F31 | 170.1° | 171.9° |
| C25 | C23 | C29 | F32 | 55.6° | 68.0° |
| C25 | C23 | O24 | H52 | 49.8° | 167.9° |
| F28 | C25 | C23 | C29 | 75.5° | 174.9° |
| F28 | C25 | C23 | O24 | 35.6° | 54.9° |
| C23 | C29 | F31 | F32 | 115.6° | 120.0° |
| C29 | C23 | O24 | H52 | 65.2° | 72.1° |
| F31 | C29 | C23 | O24 | 56.1° | 68.1° |
| F32 | C29 | C23 | O24 | 58.4° | 52.0° |
| H50 | C16 | C17 | H51 | 0.1° | 0.4° |
| H46 | C5 | C4 | H45 | 34.2° | 88.1° |
| H46 | C5 | C4 | H44 | 156.0° | 35.0° |
| H46 | C5 | C6 | H48 | 15.9° | 36.2° |
| H46 | C5 | C6 | H49 | 137.7° | 86.0° |
| H47 | C5 | C4 | H45 | 87.6° | 35.7° |
| H47 | C5 | C4 | H44 | 34.3° | 158.9° |
| H47 | C5 | C6 | H48 | 105.9° | 160.0° |
| H47 | C5 | C6 | H49 | 15.9° | 37.8° |
| H45 | C4 | C2 | H3 | 81.7° | 100.1° |
| H44 | C4 | C2 | H3 | 40.0° | 23.1° |
| H3 | C2 | C1 | H41 | 53.3° | 61.0° |
| H3 | C2 | C1 | H42 | 66.7° | 59.0° |
| H3 | C2 | C1 | H43 | 173.3° | 179.0° |
| H41 | C1 | H42 | H43 | 120.0° | 120.0° |
| H56 | C38 | H58 | H57 | 120.0° | 120.0° |
| H60 | C39 | H61 | H59 | 120.0° | 120.0° |
| H54 | C36 | N35 | H53 | 59.5° | 120.0° |
| H55 | C36 | N35 | H53 | 179.4° | 120.0° |
