A1DFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C35 | sing | 1.51Å | 1.51Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H39 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | N7 | sing | 1.38Å | 1.35Å | |
| N5 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C15 | sing | 1.48Å | 1.48Å | |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C13 | sing | 1.53Å | 1.52Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C10 | N11 | sing | 1.47Å | 1.47Å | |
| C10 | H44 | sing | 1.09Å | 1.10Å | |
| C10 | H45 | sing | 1.09Å | 1.10Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| N11 | S14 | sing | 1.66Å | 1.63Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H46 | sing | 1.09Å | 1.10Å | |
| C12 | H47 | sing | 1.09Å | 1.10Å | |
| C13 | H48 | sing | 1.09Å | 1.10Å | |
| C13 | H49 | sing | 1.09Å | 1.10Å | |
| S14 | C20 | sing | 1.81Å | 1.75Å | |
| S14 | O21 | doub | 1.42Å | 1.43Å | |
| S14 | O22 | doub | 1.42Å | 1.43Å | |
| C15 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | N19 | sing | 1.35Å | 1.38Å | Aromatic |
| C16 | N17 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | H50 | sing | 1.08Å | 1.08Å | |
| N17 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| N17 | C23 | sing | 1.40Å | 1.43Å | |
| C18 | N19 | doub | 1.30Å | 1.32Å | Aromatic |
| C18 | H51 | sing | 1.08Å | 1.08Å | |
| C20 | H52 | sing | 1.09Å | 1.10Å | |
| C20 | H53 | sing | 1.09Å | 1.10Å | |
| C20 | H54 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | CL29 | sing | 1.74Å | 1.73Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H55 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | H56 | sing | 1.08Å | 1.08Å | |
| C28 | H57 | sing | 1.08Å | 1.08Å | |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| N31 | C32 | sing | 1.47Å | 1.47Å | |
| N31 | C34 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.54Å | 1.53Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | F36 | sing | 1.40Å | 1.33Å | |
| C35 | F37 | sing | 1.40Å | 1.33Å | |
| C35 | F38 | sing | 1.40Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 115.4° | 118.4° |
| C2 | C1 | C35 | 120.5° | 120.7° |
| C1 | C2 | N3 | 123.7° | 119.3° |
| C1 | C2 | H39 | 118.2° | 120.4° |
| C6 | C1 | C35 | 124.1° | 120.8° |
| C1 | C6 | N5 | 122.5° | 119.0° |
| C1 | C6 | C15 | 126.0° | 120.5° |
| C1 | C35 | F36 | 112.6° | 109.5° |
| C1 | C35 | F37 | 112.5° | 109.4° |
| C1 | C35 | F38 | 113.0° | 109.5° |
| N3 | C2 | H39 | 118.2° | 120.4° |
| C2 | N3 | C4 | 115.8° | 121.0° |
| N3 | C4 | N5 | 126.3° | 121.7° |
| N3 | C4 | N7 | 116.9° | 119.2° |
| N5 | C4 | N7 | 116.7° | 119.2° |
| C4 | N5 | C6 | 116.4° | 120.6° |
| C4 | N7 | C8 | 123.7° | 120.0° |
| C4 | N7 | H40 | 105.8° | 120.0° |
| N5 | C6 | C15 | 111.5° | 120.5° |
| C6 | C15 | C16 | 129.1° | 126.1° |
| C6 | C15 | N19 | 120.8° | 126.1° |
| C8 | N7 | H40 | 105.8° | 120.0° |
| N7 | C8 | C9 | 110.8° | 109.5° |
| N7 | C8 | C13 | 110.4° | 109.4° |
| N7 | C8 | H41 | 108.8° | 109.5° |
| C9 | C8 | C13 | 110.6° | 109.5° |
| C9 | C8 | H41 | 108.1° | 109.5° |
| C8 | C9 | C10 | 110.7° | 109.3° |
| C8 | C9 | H42 | 109.2° | 109.5° |
| C8 | C9 | H43 | 109.1° | 109.5° |
| C13 | C8 | H41 | 108.0° | 109.5° |
| C8 | C13 | C12 | 110.7° | 109.3° |
| C8 | C13 | H48 | 109.2° | 109.5° |
| C8 | C13 | H49 | 109.2° | 109.5° |
| C10 | C9 | H42 | 109.2° | 109.5° |
| C10 | C9 | H43 | 109.2° | 109.6° |
| C9 | C10 | N11 | 109.4° | 108.8° |
| C9 | C10 | H44 | 109.5° | 109.6° |
| C9 | C10 | H45 | 109.5° | 109.5° |
| H42 | C9 | H43 | 109.5° | 109.5° |
| N11 | C10 | H44 | 109.5° | 109.6° |
| N11 | C10 | H45 | 109.5° | 109.6° |
| C10 | N11 | C12 | 112.1° | 118.7° |
| C10 | N11 | S14 | 116.5° | 120.7° |
| H44 | C10 | H45 | 109.5° | 109.7° |
| C12 | N11 | S14 | 116.4° | 120.6° |
| N11 | C12 | C13 | 109.4° | 108.8° |
| N11 | C12 | H46 | 109.5° | 109.6° |
| N11 | C12 | H47 | 109.5° | 109.6° |
| N11 | S14 | C20 | 107.1° | 104.4° |
| N11 | S14 | O21 | 107.0° | 104.3° |
| N11 | S14 | O22 | 107.1° | 104.3° |
| C13 | C12 | H46 | 109.5° | 109.6° |
| C13 | C12 | H47 | 109.5° | 109.7° |
| C12 | C13 | H48 | 109.2° | 109.5° |
| C12 | C13 | H49 | 109.2° | 109.5° |
| H46 | C12 | H47 | 109.4° | 109.7° |
| H48 | C13 | H49 | 109.5° | 109.5° |
| C20 | S14 | O21 | 108.3° | 110.5° |
| C20 | S14 | O22 | 108.1° | 110.6° |
| S14 | C20 | H52 | 109.5° | 109.5° |
| S14 | C20 | H53 | 109.5° | 109.5° |
| S14 | C20 | H54 | 109.5° | 109.5° |
| O21 | S14 | O22 | 118.8° | 121.1° |
| C16 | C15 | N19 | 110.0° | 107.8° |
| C15 | C16 | N17 | 106.0° | 106.7° |
| C15 | C16 | H50 | 127.0° | 126.6° |
| C15 | N19 | C18 | 105.1° | 109.2° |
| N17 | C16 | H50 | 127.0° | 126.7° |
| C16 | N17 | C18 | 106.4° | 107.3° |
| C16 | N17 | C23 | 126.4° | 126.3° |
| C18 | N17 | C23 | 127.2° | 126.4° |
| N17 | C18 | N19 | 112.5° | 108.9° |
| N17 | C18 | H51 | 123.7° | 125.5° |
| N17 | C23 | C24 | 121.2° | 120.0° |
| N17 | C23 | C28 | 119.4° | 120.1° |
| N19 | C18 | H51 | 123.8° | 125.5° |
| H52 | C20 | H53 | 109.5° | 109.4° |
| H52 | C20 | H54 | 109.4° | 109.5° |
| H53 | C20 | H54 | 109.5° | 109.5° |
| C24 | C23 | C28 | 119.4° | 119.9° |
| C23 | C24 | C25 | 120.7° | 119.8° |
| C23 | C24 | CL29 | 120.5° | 120.1° |
| C23 | C28 | C27 | 119.5° | 119.9° |
| C23 | C28 | H57 | 120.2° | 120.0° |
| C25 | C24 | CL29 | 118.8° | 120.1° |
| C24 | C25 | C26 | 120.3° | 120.1° |
| C24 | C25 | H55 | 119.8° | 119.9° |
| C26 | C25 | H55 | 119.8° | 120.0° |
| C25 | C26 | C27 | 118.6° | 120.1° |
| C25 | C26 | C30 | 120.5° | 119.9° |
| C27 | C26 | C30 | 120.8° | 120.0° |
| C26 | C27 | C28 | 121.4° | 120.1° |
| C26 | C27 | H56 | 119.3° | 119.9° |
| C26 | C30 | N31 | 113.3° | 109.5° |
| C26 | C30 | H58 | 108.5° | 109.5° |
| C26 | C30 | H59 | 108.5° | 109.5° |
| C28 | C27 | H56 | 119.3° | 119.9° |
| C27 | C28 | H57 | 120.2° | 120.1° |
| N31 | C30 | H58 | 108.5° | 109.4° |
| N31 | C30 | H59 | 108.5° | 109.4° |
| C30 | N31 | C32 | 116.1° | 111.0° |
| C30 | N31 | C34 | 115.7° | 111.0° |
| H58 | C30 | H59 | 109.5° | 109.5° |
| C32 | N31 | C34 | 93.2° | 87.8° |
| N31 | C32 | C33 | 88.2° | 88.0° |
| N31 | C32 | H60 | 114.5° | 113.5° |
| N31 | C32 | H61 | 114.5° | 113.5° |
| N31 | C34 | C33 | 88.2° | 87.9° |
| N31 | C34 | H64 | 114.5° | 113.5° |
| N31 | C34 | H65 | 114.5° | 113.5° |
| C33 | C32 | H60 | 114.5° | 113.5° |
| C33 | C32 | H61 | 114.5° | 113.5° |
| C32 | C33 | C34 | 88.6° | 83.6° |
| C32 | C33 | H62 | 114.4° | 114.2° |
| C32 | C33 | H63 | 114.4° | 114.2° |
| H60 | C32 | H61 | 109.5° | 112.7° |
| C34 | C33 | H62 | 114.4° | 114.2° |
| C34 | C33 | H63 | 114.4° | 114.2° |
| C33 | C34 | H64 | 114.5° | 113.5° |
| C33 | C34 | H65 | 114.5° | 113.4° |
| H62 | C33 | H63 | 109.5° | 113.4° |
| H64 | C34 | H65 | 109.5° | 112.8° |
| F36 | C35 | F37 | 106.2° | 109.5° |
| F36 | C35 | F38 | 105.9° | 109.5° |
| F37 | C35 | F38 | 105.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C35 | 179.2° | 179.7° |
| C1 | C2 | N3 | H39 | 180.0° | 180.0° |
| C1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | N5 | 0.3° | 0.0° |
| C2 | C1 | C6 | C15 | 179.0° | 180.0° |
| C2 | C1 | C35 | F36 | 120.9° | 0.0° |
| C2 | C1 | C35 | F37 | 119.1° | 120.0° |
| C2 | C1 | C35 | F38 | 0.9° | 120.0° |
| C6 | C1 | C2 | N3 | 0.7° | 0.0° |
| C6 | C1 | C2 | H39 | 179.3° | 180.0° |
| C1 | C6 | N5 | C4 | 0.7° | 0.0° |
| C1 | C6 | N5 | C15 | 178.9° | 180.0° |
| C1 | C6 | C15 | C16 | 119.5° | 155.0° |
| C1 | C6 | C15 | N19 | 62.0° | 25.3° |
| C6 | C1 | C35 | F36 | 58.3° | 179.7° |
| C6 | C1 | C35 | F37 | 61.8° | 60.3° |
| C6 | C1 | C35 | F38 | 178.3° | 59.7° |
| C35 | C1 | C2 | N3 | 178.6° | 179.7° |
| C35 | C1 | C2 | H39 | 1.4° | 0.3° |
| C35 | C1 | C6 | N5 | 178.9° | 179.8° |
| C35 | C1 | C6 | C15 | 0.2° | 0.3° |
| C1 | C35 | F36 | F37 | 123.6° | 120.0° |
| C1 | C35 | F36 | F38 | 124.0° | 120.0° |
| C1 | C35 | F37 | F38 | 124.0° | 120.0° |
| C2 | N3 | C4 | N5 | 1.1° | 0.0° |
| C2 | N3 | C4 | N7 | 175.3° | 180.0° |
| H39 | C2 | N3 | C4 | 180.0° | 180.0° |
| N3 | C4 | N5 | N7 | 176.5° | 180.0° |
| N3 | C4 | N5 | C6 | 1.5° | 0.0° |
| N3 | C4 | N7 | C8 | 141.2° | 0.1° |
| N3 | C4 | N7 | H40 | 19.2° | 180.0° |
| C4 | N5 | C6 | C15 | 178.2° | 180.0° |
| N5 | C4 | N7 | C8 | 35.7° | 180.0° |
| N5 | C4 | N7 | H40 | 157.6° | 0.0° |
| N7 | C4 | N5 | C6 | 175.0° | 180.0° |
| C4 | N7 | C8 | H40 | 122.0° | 179.9° |
| C4 | N7 | C8 | C9 | 55.4° | 155.0° |
| C4 | N7 | C8 | C13 | 178.2° | 85.0° |
| C4 | N7 | C8 | H41 | 63.4° | 35.0° |
| N5 | C6 | C15 | C16 | 59.3° | 24.9° |
| N5 | C6 | C15 | N19 | 119.1° | 154.7° |
| C6 | C15 | C16 | N19 | 178.6° | 179.7° |
| C6 | C15 | C16 | N17 | 178.3° | 179.9° |
| C6 | C15 | C16 | H50 | 1.7° | 0.2° |
| C6 | C15 | N19 | C18 | 178.6° | 179.9° |
| N7 | C8 | C9 | C13 | 122.8° | 120.0° |
| N7 | C8 | C9 | H41 | 119.2° | 120.0° |
| N7 | C8 | C13 | H41 | 118.9° | 120.0° |
| N7 | C8 | C9 | C10 | 177.5° | 178.6° |
| N7 | C8 | C9 | H42 | 62.3° | 58.7° |
| N7 | C8 | C9 | H43 | 57.3° | 61.4° |
| N7 | C8 | C13 | C12 | 177.6° | 178.6° |
| N7 | C8 | C13 | H48 | 57.4° | 61.4° |
| N7 | C8 | C13 | H49 | 62.2° | 58.7° |
| H40 | N7 | C8 | C9 | 66.6° | 24.9° |
| H40 | N7 | C8 | C13 | 56.2° | 95.1° |
| H40 | N7 | C8 | H41 | 174.7° | 145.0° |
| C9 | C8 | C13 | H41 | 118.1° | 120.0° |
| C8 | C9 | C10 | H42 | 120.2° | 119.9° |
| C8 | C9 | C10 | H43 | 120.2° | 119.9° |
| C8 | C9 | H42 | H43 | 119.4° | 120.1° |
| C8 | C9 | C10 | N11 | 57.0° | 54.7° |
| C8 | C9 | C10 | H44 | 63.0° | 65.1° |
| C8 | C9 | C10 | H45 | 177.0° | 174.4° |
| C9 | C8 | C13 | C12 | 54.6° | 61.4° |
| C9 | C8 | C13 | H48 | 65.6° | 58.6° |
| C9 | C8 | C13 | H49 | 174.8° | 178.7° |
| C13 | C8 | C9 | C10 | 54.8° | 61.4° |
| C13 | C8 | C9 | H42 | 175.0° | 178.7° |
| C13 | C8 | C9 | H43 | 65.4° | 58.6° |
| C8 | C13 | C12 | N11 | 56.7° | 54.6° |
| C8 | C13 | C12 | H48 | 120.2° | 120.0° |
| C8 | C13 | C12 | H49 | 120.2° | 120.0° |
| C8 | C13 | C12 | H46 | 63.3° | 65.1° |
| C8 | C13 | C12 | H47 | 176.7° | 174.4° |
| C8 | C13 | H48 | H49 | 119.4° | 120.1° |
| H41 | C8 | C9 | C10 | 63.3° | 58.6° |
| H41 | C8 | C9 | H42 | 56.9° | 61.3° |
| H41 | C8 | C9 | H43 | 176.5° | 178.6° |
| H41 | C8 | C13 | C12 | 63.5° | 58.7° |
| H41 | C8 | C13 | H48 | 176.3° | 178.6° |
| H41 | C8 | C13 | H49 | 56.7° | 61.3° |
| C10 | C9 | H42 | H43 | 119.5° | 120.2° |
| C9 | C10 | N11 | H44 | 120.0° | 119.9° |
| C9 | C10 | N11 | H45 | 120.0° | 119.7° |
| C9 | C10 | H44 | H45 | 120.1° | 120.3° |
| C9 | C10 | N11 | C12 | 60.7° | 53.7° |
| C9 | C10 | N11 | S14 | 161.6° | 126.4° |
| H42 | C9 | C10 | N11 | 177.2° | 174.6° |
| H42 | C9 | C10 | H44 | 57.2° | 54.8° |
| H42 | C9 | C10 | H45 | 62.9° | 65.6° |
| H43 | C9 | C10 | N11 | 63.2° | 65.2° |
| H43 | C9 | C10 | H44 | 176.8° | 174.9° |
| H43 | C9 | C10 | H45 | 56.8° | 54.5° |
| N11 | C10 | H44 | H45 | 120.0° | 120.3° |
| C10 | N11 | C12 | S14 | 137.7° | 179.9° |
| C10 | N11 | C12 | C13 | 60.5° | 53.6° |
| C10 | N11 | C12 | H46 | 59.5° | 66.1° |
| C10 | N11 | C12 | H47 | 179.4° | 173.5° |
| C10 | N11 | S14 | C20 | 157.7° | 90.1° |
| C10 | N11 | S14 | O21 | 86.4° | 153.9° |
| C10 | N11 | S14 | O22 | 41.9° | 26.0° |
| H44 | C10 | N11 | C12 | 59.3° | 66.2° |
| H44 | C10 | N11 | S14 | 78.4° | 113.7° |
| H45 | C10 | N11 | C12 | 179.3° | 173.4° |
| H45 | C10 | N11 | S14 | 41.6° | 6.7° |
| N11 | C12 | C13 | H46 | 120.0° | 119.7° |
| N11 | C12 | C13 | H47 | 120.0° | 119.8° |
| N11 | C12 | H46 | H47 | 120.0° | 120.3° |
| N11 | C12 | C13 | H48 | 63.5° | 65.3° |
| N11 | C12 | C13 | H49 | 176.9° | 174.6° |
| C12 | N11 | S14 | C20 | 66.4° | 90.0° |
| C12 | N11 | S14 | O21 | 49.5° | 26.0° |
| C12 | N11 | S14 | O22 | 177.8° | 153.9° |
| S14 | N11 | C12 | C13 | 161.7° | 126.5° |
| S14 | N11 | C12 | H46 | 78.3° | 113.8° |
| S14 | N11 | C12 | H47 | 41.7° | 6.6° |
| N11 | S14 | C20 | O21 | 115.0° | 111.6° |
| N11 | S14 | C20 | O22 | 115.1° | 111.6° |
| N11 | S14 | O21 | O22 | 121.2° | 116.8° |
| N11 | S14 | C20 | H52 | 180.0° | 60.0° |
| N11 | S14 | C20 | H53 | 60.0° | 180.0° |
| N11 | S14 | C20 | H54 | 60.0° | 60.0° |
| C13 | C12 | H46 | H47 | 120.0° | 120.4° |
| C12 | C13 | H48 | H49 | 119.4° | 120.1° |
| H46 | C12 | C13 | H48 | 176.5° | 174.9° |
| H46 | C12 | C13 | H49 | 56.9° | 54.8° |
| H47 | C12 | C13 | H48 | 56.5° | 54.5° |
| H47 | C12 | C13 | H49 | 63.1° | 65.6° |
| C20 | S14 | O21 | O22 | 123.7° | 131.5° |
| S14 | C20 | H52 | H53 | 120.0° | 120.0° |
| S14 | C20 | H52 | H54 | 120.0° | 120.0° |
| S14 | C20 | H53 | H54 | 120.0° | 120.0° |
| O21 | S14 | C20 | H52 | 65.0° | 51.6° |
| O21 | S14 | C20 | H53 | 175.0° | 68.4° |
| O21 | S14 | C20 | H54 | 55.0° | 171.6° |
| O22 | S14 | C20 | H52 | 65.0° | 171.6° |
| O22 | S14 | C20 | H53 | 55.1° | 68.4° |
| O22 | S14 | C20 | H54 | 175.1° | 51.6° |
| C15 | C16 | N17 | H50 | 180.0° | 179.9° |
| C15 | C16 | N17 | C18 | 0.4° | 0.0° |
| C15 | C16 | N17 | C23 | 178.3° | 179.9° |
| C16 | C15 | N19 | C18 | 0.1° | 0.4° |
| N19 | C15 | C16 | N17 | 0.3° | 0.2° |
| N19 | C15 | C16 | H50 | 179.7° | 179.8° |
| C15 | N19 | C18 | N17 | 0.2° | 0.4° |
| C15 | N19 | C18 | H51 | 179.8° | 179.8° |
| C16 | N17 | C18 | C23 | 178.6° | 179.9° |
| C16 | N17 | C18 | N19 | 0.3° | 0.2° |
| C16 | N17 | C18 | H51 | 179.6° | 180.0° |
| C16 | N17 | C23 | C24 | 99.8° | 130.0° |
| C16 | N17 | C23 | C28 | 77.0° | 50.3° |
| H50 | C16 | N17 | C18 | 179.6° | 179.9° |
| H50 | C16 | N17 | C23 | 1.8° | 0.0° |
| N17 | C18 | N19 | H51 | 180.0° | 179.8° |
| C18 | N17 | C23 | C24 | 78.6° | 50.0° |
| C18 | N17 | C23 | C28 | 104.6° | 129.7° |
| C23 | N17 | C18 | N19 | 178.3° | 179.9° |
| C23 | N17 | C18 | H51 | 1.8° | 0.0° |
| N17 | C23 | C24 | C28 | 176.8° | 179.7° |
| N17 | C23 | C24 | C25 | 175.5° | 180.0° |
| N17 | C23 | C24 | CL29 | 4.4° | 0.1° |
| N17 | C23 | C28 | C27 | 175.6° | 179.7° |
| N17 | C23 | C28 | H57 | 4.4° | 0.0° |
| H52 | C20 | H53 | H54 | 120.0° | 120.0° |
| C23 | C24 | C25 | CL29 | 179.9° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H55 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 1.3° | 0.6° |
| C24 | C23 | C28 | H57 | 178.7° | 179.7° |
| C28 | C23 | C24 | C25 | 1.3° | 0.3° |
| C28 | C23 | C24 | CL29 | 178.8° | 179.8° |
| C23 | C28 | C27 | C26 | 0.0° | 0.5° |
| C23 | C28 | C27 | H57 | 180.0° | 179.7° |
| C23 | C28 | C27 | H56 | 180.0° | 179.7° |
| C24 | C25 | C26 | H55 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.2° | 0.0° |
| C24 | C25 | C26 | C30 | 176.6° | 180.0° |
| CL29 | C24 | C25 | C26 | 180.0° | 180.0° |
| CL29 | C24 | C25 | H55 | 0.0° | 0.1° |
| C25 | C26 | C27 | C30 | 177.7° | 180.0° |
| C25 | C26 | C27 | C28 | 1.2° | 0.3° |
| C25 | C26 | C27 | H56 | 178.8° | 180.0° |
| C25 | C26 | C30 | N31 | 110.4° | 90.0° |
| C25 | C26 | C30 | H58 | 129.1° | 150.0° |
| C25 | C26 | C30 | H59 | 10.2° | 30.0° |
| H55 | C25 | C26 | C27 | 178.8° | 180.0° |
| H55 | C25 | C26 | C30 | 3.4° | 0.1° |
| C26 | C27 | C28 | H56 | 180.0° | 179.8° |
| C26 | C27 | C28 | H57 | 180.0° | 179.7° |
| C27 | C26 | C30 | N31 | 71.9° | 90.0° |
| C27 | C26 | C30 | H58 | 48.6° | 30.0° |
| C27 | C26 | C30 | H59 | 167.5° | 150.0° |
| C30 | C26 | C27 | C28 | 176.5° | 179.8° |
| C30 | C26 | C27 | H56 | 3.5° | 0.0° |
| C26 | C30 | N31 | H58 | 120.6° | 120.0° |
| C26 | C30 | N31 | H59 | 120.6° | 120.1° |
| C26 | C30 | H58 | H59 | 118.2° | 120.1° |
| C26 | C30 | N31 | C32 | 96.5° | 170.0° |
| C26 | C30 | N31 | C34 | 155.7° | 94.0° |
| H56 | C27 | C28 | H57 | 0.0° | 0.0° |
| N31 | C30 | H58 | H59 | 118.2° | 120.0° |
| C30 | N31 | C32 | C34 | 120.7° | 111.7° |
| C30 | N31 | C32 | C33 | 130.7° | 138.7° |
| C30 | N31 | C32 | H60 | 113.1° | 106.5° |
| C30 | N31 | C32 | H61 | 14.5° | 23.8° |
| C30 | N31 | C34 | C33 | 131.0° | 138.7° |
| C30 | N31 | C34 | H64 | 14.8° | 24.0° |
| C30 | N31 | C34 | H65 | 112.8° | 106.5° |
| H58 | C30 | N31 | C32 | 24.1° | 50.0° |
| H58 | C30 | N31 | C34 | 83.7° | 146.0° |
| H59 | C30 | N31 | C32 | 142.9° | 70.0° |
| H59 | C30 | N31 | C34 | 35.2° | 26.0° |
| N31 | C32 | C33 | H60 | 116.2° | 114.8° |
| N31 | C32 | C33 | H61 | 116.2° | 114.8° |
| N31 | C32 | H60 | H61 | 130.1° | 130.8° |
| C32 | N31 | C34 | C33 | 9.9° | 27.0° |
| N31 | C32 | C33 | H62 | 106.7° | 87.6° |
| N31 | C32 | C33 | H63 | 125.8° | 139.7° |
| C32 | N31 | C34 | H64 | 106.3° | 87.7° |
| C32 | N31 | C34 | H65 | 126.1° | 141.7° |
| C34 | N31 | C32 | H60 | 126.1° | 141.8° |
| C34 | N31 | C32 | H61 | 106.3° | 87.8° |
| N31 | C34 | C33 | H64 | 116.2° | 114.8° |
| N31 | C34 | C33 | H65 | 116.2° | 114.8° |
| N31 | C34 | C33 | H62 | 106.8° | 87.6° |
| N31 | C34 | C33 | H63 | 125.8° | 139.7° |
| N31 | C34 | H64 | H65 | 130.1° | 130.9° |
| C33 | C32 | H60 | H61 | 130.1° | 130.8° |
| C32 | C33 | C34 | H62 | 116.3° | 113.7° |
| C32 | C33 | C34 | H63 | 116.3° | 113.6° |
| C32 | C33 | H62 | H63 | 129.9° | 133.1° |
| C32 | C33 | C34 | H64 | 106.7° | 88.8° |
| C32 | C33 | C34 | H65 | 125.7° | 140.8° |
| H60 | C32 | C33 | C34 | 125.8° | 140.8° |
| H60 | C32 | C33 | H62 | 9.5° | 27.2° |
| H60 | C32 | C33 | H63 | 117.9° | 105.5° |
| H61 | C32 | C33 | C34 | 106.7° | 88.8° |
| H61 | C32 | C33 | H62 | 137.1° | 157.6° |
| H61 | C32 | C33 | H63 | 9.6° | 24.9° |
| C34 | C33 | H62 | H63 | 129.9° | 133.1° |
| C33 | C34 | H64 | H65 | 130.1° | 130.7° |
| H62 | C33 | C34 | H64 | 137.0° | 157.6° |
| H62 | C33 | C34 | H65 | 9.5° | 27.2° |
| H63 | C33 | C34 | H64 | 9.6° | 24.9° |
| H63 | C33 | C34 | H65 | 117.9° | 105.6° |
| F36 | C35 | F37 | F38 | 112.4° | 120.0° |
