CKK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C15 | sing | 1.40Å | 1.41Å | |
| N14 | C12 | sing | 1.35Å | 1.34Å | |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | F18 | sing | 1.35Å | 1.34Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | O22 | sing | 1.36Å | 1.39Å | |
| C23 | C27 | sing | 1.41Å | 1.41Å | Aromatic |
| C23 | O22 | sing | 1.35Å | 1.37Å | |
| C23 | N24 | doub | 1.32Å | 1.28Å | Aromatic |
| C12 | N11 | sing | 1.35Å | 1.32Å | |
| C12 | O13 | doub | 1.22Å | 1.20Å | |
| C27 | N28 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | N34 | sing | 1.47Å | 1.47Å | |
| C33 | C38 | sing | 1.53Å | 1.51Å | |
| F1 | C2 | sing | 1.35Å | 1.32Å | |
| C2 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.45Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C9 | O10 | doub | 1.21Å | 1.23Å | |
| C9 | N11 | sing | 1.35Å | 1.35Å | |
| N24 | C25 | sing | 1.33Å | 1.36Å | Aromatic |
| C25 | N26 | doub | 1.30Å | 1.30Å | Aromatic |
| N26 | N28 | sing | 1.40Å | 1.34Å | Aromatic |
| N28 | C29 | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.45Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | N34 | sing | 1.47Å | 1.47Å | |
| N34 | C35 | sing | 1.47Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | N39 | sing | 1.47Å | 1.48Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| N39 | HN39 | sing | 1.01Å | 1.00Å | |
| N39 | HN3A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N14 | C12 | 125.5° | 120.0° |
| N14 | C15 | C16 | 119.1° | 119.9° |
| N14 | C15 | C19 | 121.6° | 120.1° |
| C15 | N14 | HN14 | 117.2° | 120.0° |
| N14 | C12 | N11 | 115.5° | 120.0° |
| N14 | C12 | O13 | 128.7° | 120.0° |
| C12 | N14 | HN14 | 117.2° | 120.0° |
| C16 | C17 | C21 | 119.8° | 120.0° |
| C16 | C17 | F18 | 119.2° | 120.0° |
| C17 | C16 | C15 | 121.8° | 119.9° |
| C17 | C16 | H16 | 119.1° | 120.0° |
| C21 | C17 | F18 | 121.0° | 120.0° |
| C17 | C21 | C20 | 121.2° | 120.0° |
| C17 | C21 | O22 | 115.3° | 120.0° |
| C16 | C15 | C19 | 119.2° | 120.0° |
| C15 | C16 | H16 | 119.1° | 120.1° |
| C15 | C19 | C20 | 119.0° | 120.0° |
| C15 | C19 | H19 | 120.5° | 120.0° |
| C19 | C20 | C21 | 119.0° | 120.0° |
| C20 | C19 | H19 | 120.5° | 120.0° |
| C19 | C20 | H20 | 120.5° | 120.0° |
| C20 | C21 | O22 | 123.5° | 120.0° |
| C21 | C20 | H20 | 120.5° | 119.9° |
| C21 | O22 | C23 | 111.7° | 118.1° |
| C27 | C23 | O22 | 112.3° | 120.5° |
| C27 | C23 | N24 | 123.4° | 119.2° |
| C23 | C27 | N28 | 114.2° | 118.6° |
| C23 | C27 | C31 | 136.4° | 133.8° |
| O22 | C23 | N24 | 124.3° | 120.3° |
| C23 | N24 | C25 | 116.3° | 121.6° |
| N11 | C12 | O13 | 115.8° | 120.0° |
| C12 | N11 | C9 | 123.1° | 120.0° |
| C12 | N11 | HN11 | 118.5° | 120.0° |
| N28 | C27 | C31 | 109.4° | 107.6° |
| C27 | N28 | N26 | 123.8° | 118.3° |
| C27 | N28 | C29 | 110.0° | 108.5° |
| C27 | C31 | C30 | 104.3° | 106.8° |
| C27 | C31 | C32 | 130.4° | 126.6° |
| N34 | C33 | C38 | 111.5° | 109.6° |
| C33 | N34 | C32 | 105.5° | 111.0° |
| C33 | N34 | C35 | 111.8° | 111.2° |
| N34 | C33 | H33 | 108.8° | 109.4° |
| N34 | C33 | H33A | 108.3° | 109.5° |
| C33 | C38 | C37 | 109.0° | 109.2° |
| C38 | C33 | H33 | 108.8° | 109.4° |
| C38 | C33 | H33A | 108.4° | 109.5° |
| C33 | C38 | H38 | 109.6° | 109.5° |
| C33 | C38 | H38A | 109.8° | 109.5° |
| F1 | C2 | C3 | 116.2° | 120.0° |
| F1 | C2 | C5 | 119.2° | 120.0° |
| C3 | C2 | C5 | 124.6° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.1° |
| C2 | C5 | C6 | 115.7° | 120.0° |
| C2 | C5 | H5 | 122.2° | 120.1° |
| C3 | C4 | C7 | 117.3° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | H4 | 121.3° | 120.0° |
| C4 | C7 | C6 | 121.4° | 120.0° |
| C4 | C7 | C8 | 117.8° | 120.0° |
| C7 | C4 | H4 | 121.3° | 119.9° |
| C5 | C6 | C7 | 120.8° | 120.0° |
| C6 | C5 | H5 | 122.1° | 120.0° |
| C5 | C6 | H6 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C7 | C6 | H6 | 119.6° | 120.0° |
| C7 | C8 | C9 | 108.8° | 109.5° |
| C7 | C8 | H8 | 109.7° | 109.4° |
| C7 | C8 | H8A | 109.8° | 109.5° |
| C8 | C9 | O10 | 126.8° | 120.0° |
| C8 | C9 | N11 | 111.8° | 120.0° |
| C9 | C8 | H8 | 109.7° | 109.5° |
| C9 | C8 | H8A | 109.8° | 109.5° |
| O10 | C9 | N11 | 121.4° | 120.0° |
| C9 | N11 | HN11 | 118.5° | 120.0° |
| N24 | C25 | N26 | 126.5° | 122.3° |
| N24 | C25 | H25 | 116.8° | 118.8° |
| C25 | N26 | N28 | 115.7° | 120.0° |
| N26 | C25 | H25 | 116.7° | 118.8° |
| N26 | N28 | C29 | 126.2° | 133.2° |
| N28 | C29 | C30 | 108.1° | 109.1° |
| N28 | C29 | H29 | 125.9° | 125.4° |
| C29 | C30 | C31 | 108.1° | 107.9° |
| C30 | C29 | H29 | 125.9° | 125.5° |
| C29 | C30 | H30 | 126.0° | 126.0° |
| C30 | C31 | C32 | 125.3° | 126.5° |
| C31 | C30 | H30 | 125.9° | 126.1° |
| C31 | C32 | N34 | 111.7° | 109.5° |
| C31 | C32 | H32 | 108.7° | 109.5° |
| C31 | C32 | H32A | 108.3° | 109.5° |
| C32 | N34 | C35 | 111.3° | 111.0° |
| N34 | C32 | H32 | 108.7° | 109.5° |
| N34 | C32 | H32A | 108.2° | 109.5° |
| N34 | C35 | C36 | 114.1° | 109.5° |
| N34 | C35 | H35 | 107.9° | 109.5° |
| N34 | C35 | H35A | 106.9° | 109.4° |
| C35 | C36 | C37 | 110.4° | 109.3° |
| C36 | C35 | H35 | 108.0° | 109.5° |
| C36 | C35 | H35A | 106.9° | 109.4° |
| C35 | C36 | H36 | 109.2° | 109.5° |
| C35 | C36 | H36A | 109.0° | 109.5° |
| C36 | C37 | C38 | 111.5° | 109.2° |
| C36 | C37 | N39 | 112.4° | 109.5° |
| C37 | C36 | H36 | 109.2° | 109.5° |
| C37 | C36 | H36A | 109.0° | 109.4° |
| C36 | C37 | H37 | 104.9° | 109.5° |
| C38 | C37 | N39 | 105.5° | 109.5° |
| C38 | C37 | H37 | 111.8° | 109.5° |
| C37 | C38 | H38 | 109.6° | 109.5° |
| C37 | C38 | H38A | 109.7° | 109.5° |
| N39 | C37 | H37 | 110.8° | 109.6° |
| C37 | N39 | HN39 | 109.5° | 111.0° |
| C37 | N39 | HN3A | 109.5° | 111.0° |
| H33 | C33 | H33A | 111.1° | 109.5° |
| H8 | C8 | H8A | 108.9° | 109.5° |
| H32 | C32 | H32A | 111.2° | 109.5° |
| H35 | C35 | H35A | 113.1° | 109.5° |
| H36 | C36 | H36A | 110.2° | 109.6° |
| H38 | C38 | H38A | 109.1° | 109.6° |
| HN39 | N39 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N14 | C12 | HN14 | 180.0° | 179.7° |
| N14 | C15 | C16 | C17 | 179.7° | 179.9° |
| N14 | C15 | C16 | C19 | 179.9° | 179.9° |
| N14 | C15 | C19 | C20 | 179.9° | 179.9° |
| C15 | N14 | C12 | N11 | 171.1° | 173.9° |
| C15 | N14 | C12 | O13 | 8.8° | 6.1° |
| N14 | C15 | C16 | H16 | 0.3° | 0.1° |
| N14 | C15 | C19 | H19 | 0.0° | 0.1° |
| C12 | N14 | C15 | C16 | 2.3° | 26.4° |
| C12 | N14 | C15 | C19 | 177.9° | 153.7° |
| N14 | C12 | N11 | O13 | 179.9° | 179.9° |
| N14 | C12 | N11 | C9 | 4.8° | 180.0° |
| N14 | C12 | N11 | HN11 | 175.2° | 0.0° |
| C16 | C17 | C21 | F18 | 179.8° | 179.7° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C19 | 0.5° | 0.0° |
| C16 | C17 | C21 | C20 | 0.4° | 0.0° |
| C16 | C17 | C21 | O22 | 179.6° | 180.0° |
| C21 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C21 | C20 | C19 | 0.6° | 0.0° |
| C17 | C21 | C20 | O22 | 179.9° | 180.0° |
| C17 | C21 | O22 | C23 | 107.8° | 75.8° |
| C21 | C17 | C16 | H16 | 179.8° | 180.0° |
| C17 | C21 | C20 | H20 | 179.4° | 179.9° |
| F18 | C17 | C16 | C15 | 179.6° | 179.7° |
| F18 | C17 | C21 | C20 | 179.9° | 179.7° |
| F18 | C17 | C21 | O22 | 0.2° | 0.3° |
| F18 | C17 | C16 | H16 | 0.4° | 0.3° |
| C16 | C15 | C19 | C20 | 0.2° | 0.0° |
| C16 | C15 | N14 | HN14 | 177.7° | 153.9° |
| C16 | C15 | C19 | H19 | 179.8° | 180.0° |
| C15 | C19 | C20 | H19 | 180.0° | 180.0° |
| C15 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C15 | N14 | HN14 | 2.1° | 26.0° |
| C19 | C15 | C16 | H16 | 179.5° | 180.0° |
| C15 | C19 | C20 | H20 | 179.7° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | O22 | 179.3° | 180.0° |
| C20 | C21 | O22 | C23 | 72.1° | 104.2° |
| C21 | C20 | C19 | H19 | 179.7° | 180.0° |
| C21 | O22 | C23 | C27 | 147.8° | 174.8° |
| C21 | O22 | C23 | N24 | 31.4° | 4.9° |
| O22 | C21 | C20 | H20 | 0.6° | 0.1° |
| C27 | C23 | O22 | N24 | 179.2° | 179.8° |
| C23 | C27 | N28 | C31 | 179.8° | 180.0° |
| C27 | C23 | N24 | C25 | 0.8° | 0.0° |
| C23 | C27 | N28 | N26 | 1.2° | 0.5° |
| C23 | C27 | N28 | C29 | 179.6° | 180.0° |
| C23 | C27 | C31 | C30 | 178.9° | 180.0° |
| C23 | C27 | C31 | C32 | 2.4° | 0.0° |
| O22 | C23 | C27 | N28 | 179.6° | 180.0° |
| O22 | C23 | C27 | C31 | 0.6° | 0.0° |
| O22 | C23 | N24 | C25 | 178.3° | 179.8° |
| N24 | C23 | C27 | N28 | 0.4° | 0.2° |
| N24 | C23 | C27 | C31 | 179.8° | 179.7° |
| C23 | N24 | C25 | N26 | 1.6° | 0.0° |
| C23 | N24 | C25 | H25 | 178.4° | 180.0° |
| C12 | N11 | C9 | C8 | 174.1° | 180.0° |
| C12 | N11 | C9 | O10 | 2.7° | 0.0° |
| C12 | N11 | C9 | HN11 | 180.0° | 180.0° |
| N11 | C12 | N14 | HN14 | 8.9° | 6.4° |
| O13 | C12 | N11 | C9 | 175.1° | 0.1° |
| O13 | C12 | N14 | HN14 | 171.2° | 173.6° |
| O13 | C12 | N11 | HN11 | 4.9° | 180.0° |
| C27 | N28 | N26 | C25 | 0.6° | 0.5° |
| C27 | N28 | N26 | C29 | 179.1° | 179.4° |
| C27 | N28 | C29 | C30 | 1.8° | 0.0° |
| N28 | C27 | C31 | C30 | 1.3° | 0.0° |
| N28 | C27 | C31 | C32 | 177.4° | 179.9° |
| C27 | N28 | C29 | H29 | 178.2° | 180.0° |
| C31 | C27 | N28 | N26 | 179.0° | 179.5° |
| C31 | C27 | N28 | C29 | 0.3° | 0.0° |
| C27 | C31 | C30 | C29 | 2.4° | 0.0° |
| C27 | C31 | C30 | C32 | 178.8° | 179.9° |
| C27 | C31 | C32 | N34 | 110.6° | 80.0° |
| C27 | C31 | C30 | H30 | 177.6° | 179.9° |
| C27 | C31 | C32 | H32 | 9.4° | 160.0° |
| C27 | C31 | C32 | H32A | 130.4° | 40.0° |
| N34 | C33 | C38 | H33 | 120.0° | 120.0° |
| N34 | C33 | C38 | H33A | 119.1° | 120.1° |
| C33 | N34 | C32 | C31 | 85.3° | 170.0° |
| C33 | N34 | C32 | C35 | 121.5° | 124.2° |
| C33 | N34 | C35 | C36 | 50.8° | 61.8° |
| N34 | C33 | C38 | C37 | 61.5° | 59.2° |
| N34 | C33 | H33 | H33A | 119.2° | 120.0° |
| C33 | N34 | C32 | H32 | 34.7° | 50.0° |
| C33 | N34 | C32 | H32A | 155.6° | 70.0° |
| C33 | N34 | C35 | H35 | 69.2° | 58.3° |
| C33 | N34 | C35 | H35A | 168.7° | 178.3° |
| N34 | C33 | C38 | H38 | 58.5° | 60.7° |
| N34 | C33 | C38 | H38A | 178.3° | 179.1° |
| C38 | C33 | N34 | C32 | 178.5° | 174.2° |
| C38 | C33 | N34 | C35 | 57.4° | 61.8° |
| C33 | C38 | C37 | C36 | 58.7° | 57.6° |
| C33 | C38 | C37 | H38 | 120.0° | 119.9° |
| C33 | C38 | C37 | H38A | 120.2° | 120.0° |
| C33 | C38 | C37 | N39 | 178.9° | 177.6° |
| C38 | C33 | H33 | H33A | 119.2° | 119.9° |
| C33 | C38 | C37 | H37 | 58.3° | 62.3° |
| C33 | C38 | H38 | H38A | 120.2° | 120.2° |
| F1 | C2 | C3 | C5 | 179.5° | 179.8° |
| F1 | C2 | C3 | C4 | 179.5° | 180.0° |
| F1 | C2 | C5 | C6 | 180.0° | 180.0° |
| F1 | C2 | C3 | H3 | 0.5° | 0.0° |
| F1 | C2 | C5 | H5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 1.1° | 0.1° |
| C3 | C2 | C5 | C6 | 0.6° | 0.2° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| C3 | C2 | C5 | H5 | 179.4° | 179.8° |
| C5 | C2 | C3 | C4 | 0.0° | 0.2° |
| C2 | C5 | C6 | H5 | 180.0° | 180.0° |
| C2 | C5 | C6 | C7 | 0.0° | 0.1° |
| C5 | C2 | C3 | H3 | 180.0° | 179.8° |
| C2 | C5 | C6 | H6 | 180.0° | 180.0° |
| C3 | C4 | C7 | H4 | 180.0° | 179.9° |
| C3 | C4 | C7 | C6 | 1.7° | 0.3° |
| C3 | C4 | C7 | C8 | 179.3° | 180.0° |
| C4 | C7 | C6 | C5 | 1.2° | 0.3° |
| C4 | C7 | C6 | C8 | 179.0° | 179.7° |
| C4 | C7 | C8 | C9 | 109.7° | 90.0° |
| C7 | C4 | C3 | H3 | 178.9° | 179.9° |
| C4 | C7 | C6 | H6 | 178.8° | 179.7° |
| C4 | C7 | C8 | H8 | 10.3° | 150.0° |
| C4 | C7 | C8 | H8A | 130.0° | 30.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 69.3° | 89.7° |
| C6 | C7 | C4 | H4 | 178.3° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 170.7° | 30.3° |
| C6 | C7 | C8 | H8A | 50.9° | 150.2° |
| C7 | C8 | C9 | H8 | 120.0° | 119.9° |
| C7 | C8 | C9 | H8A | 120.3° | 120.0° |
| C7 | C8 | C9 | O10 | 4.5° | 0.0° |
| C7 | C8 | C9 | N11 | 178.9° | 180.0° |
| C8 | C7 | C4 | H4 | 0.7° | 0.0° |
| C8 | C7 | C6 | H6 | 0.1° | 0.0° |
| C7 | C8 | H8 | H8A | 120.3° | 120.0° |
| C8 | C9 | O10 | N11 | 176.4° | 180.0° |
| C9 | C8 | H8 | H8A | 120.3° | 120.1° |
| C8 | C9 | N11 | HN11 | 5.9° | 0.0° |
| O10 | C9 | C8 | H8 | 115.5° | 120.0° |
| O10 | C9 | C8 | H8A | 124.7° | 120.0° |
| O10 | C9 | N11 | HN11 | 177.2° | 180.0° |
| N11 | C9 | C8 | H8 | 61.1° | 60.1° |
| N11 | C9 | C8 | H8A | 58.6° | 60.0° |
| N24 | C25 | N26 | H25 | 180.0° | 180.0° |
| N24 | C25 | N26 | N28 | 0.9° | 0.2° |
| C25 | N26 | N28 | C29 | 179.7° | 179.9° |
| N26 | N28 | C29 | C30 | 177.4° | 179.4° |
| N28 | N26 | C25 | H25 | 179.1° | 179.8° |
| N26 | N28 | C29 | H29 | 2.6° | 0.6° |
| N28 | C29 | C30 | H29 | 180.0° | 180.0° |
| N28 | C29 | C30 | C31 | 2.6° | 0.1° |
| N28 | C29 | C30 | H30 | 177.4° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 176.4° | 180.0° |
| C30 | C31 | C32 | N34 | 70.9° | 100.0° |
| C31 | C30 | C29 | H29 | 177.4° | 180.0° |
| C30 | C31 | C32 | H32 | 169.1° | 19.9° |
| C30 | C31 | C32 | H32A | 48.1° | 139.9° |
| C31 | C32 | N34 | H32 | 120.0° | 120.0° |
| C31 | C32 | N34 | H32A | 119.1° | 120.0° |
| C31 | C32 | N34 | C35 | 153.2° | 65.8° |
| C32 | C31 | C30 | H30 | 3.6° | 0.1° |
| C31 | C32 | H32 | H32A | 119.1° | 120.0° |
| C32 | N34 | C35 | C36 | 168.5° | 174.1° |
| C32 | N34 | C33 | H33 | 61.5° | 54.2° |
| C32 | N34 | C33 | H33A | 59.4° | 65.8° |
| N34 | C32 | H32 | H32A | 119.1° | 120.0° |
| C32 | N34 | C35 | H35 | 48.5° | 65.8° |
| C32 | N34 | C35 | H35A | 73.5° | 54.2° |
| N34 | C35 | C36 | H35 | 120.0° | 120.0° |
| N34 | C35 | C36 | H35A | 118.0° | 120.0° |
| N34 | C35 | C36 | C37 | 47.6° | 59.2° |
| C35 | N34 | C33 | H33 | 177.4° | 178.3° |
| C35 | N34 | C33 | H33A | 61.7° | 58.3° |
| C35 | N34 | C32 | H32 | 86.8° | 174.2° |
| C35 | N34 | C32 | H32A | 34.1° | 54.2° |
| N34 | C35 | H35 | H35A | 118.1° | 120.0° |
| N34 | C35 | C36 | H36 | 167.6° | 179.1° |
| N34 | C35 | C36 | H36A | 72.0° | 60.7° |
| C35 | C36 | C37 | H36 | 120.0° | 119.9° |
| C35 | C36 | C37 | H36A | 119.6° | 119.9° |
| C35 | C36 | C37 | C38 | 51.8° | 57.6° |
| C35 | C36 | C37 | N39 | 170.0° | 177.6° |
| C36 | C35 | H35 | H35A | 118.1° | 120.0° |
| C35 | C36 | H36 | H36A | 119.6° | 120.2° |
| C35 | C36 | C37 | H37 | 69.4° | 62.2° |
| C36 | C37 | C38 | N39 | 122.3° | 119.9° |
| C36 | C37 | C38 | H37 | 117.0° | 119.9° |
| C36 | C37 | N39 | H37 | 117.0° | 120.1° |
| C37 | C36 | C35 | H35 | 72.4° | 60.9° |
| C37 | C36 | C35 | H35A | 165.6° | 179.2° |
| C37 | C36 | H36 | H36A | 119.6° | 120.0° |
| C36 | C37 | C38 | H38 | 61.3° | 62.2° |
| C36 | C37 | C38 | H38A | 178.9° | 177.6° |
| C36 | C37 | N39 | HN39 | 149.8° | 180.0° |
| C36 | C37 | N39 | HN3A | 29.8° | 56.0° |
| C38 | C37 | N39 | H37 | 121.3° | 120.1° |
| C37 | C38 | C33 | H33 | 178.5° | 179.2° |
| C37 | C38 | C33 | H33A | 57.6° | 60.9° |
| C38 | C37 | C36 | H36 | 171.8° | 177.6° |
| C38 | C37 | C36 | H36A | 67.9° | 62.3° |
| C37 | C38 | H38 | H38A | 120.2° | 120.1° |
| C38 | C37 | N39 | HN39 | 88.5° | 60.3° |
| C38 | C37 | N39 | HN3A | 151.5° | 175.8° |
| N39 | C37 | C36 | H36 | 70.0° | 62.5° |
| N39 | C37 | C36 | H36A | 50.4° | 57.7° |
| N39 | C37 | C38 | H38 | 61.0° | 57.7° |
| N39 | C37 | C38 | H38A | 58.7° | 62.5° |
| C37 | N39 | HN39 | HN3A | 120.0° | 124.0° |
| H19 | C19 | C20 | H20 | 0.3° | 0.0° |
| H33 | C33 | C38 | H38 | 61.5° | 59.3° |
| H33 | C33 | C38 | H38A | 58.3° | 60.9° |
| H33A | C33 | C38 | H38 | 177.6° | 179.3° |
| H33A | C33 | C38 | H38A | 62.6° | 59.0° |
| H3 | C3 | C4 | H4 | 1.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H29 | C29 | C30 | H30 | 2.6° | 0.1° |
| H35 | C35 | C36 | H36 | 47.6° | 59.1° |
| H35 | C35 | C36 | H36A | 168.0° | 179.3° |
| H35A | C35 | C36 | H36 | 74.4° | 60.9° |
| H35A | C35 | C36 | H36A | 45.9° | 59.3° |
| H36 | C36 | C37 | H37 | 50.6° | 57.7° |
| H36A | C36 | C37 | H37 | 170.9° | 177.8° |
| H37 | C37 | C38 | H38 | 178.3° | 177.9° |
| H37 | C37 | C38 | H38A | 61.9° | 57.7° |
| H37 | C37 | N39 | HN39 | 32.8° | 59.9° |
| H37 | C37 | N39 | HN3A | 87.3° | 64.1° |
