YBK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F31 | C30 | sing | 1.35Å | 1.34Å | |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| F24 | C23 | sing | 1.35Å | 1.36Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| O37 | C34 | sing | 1.43Å | 1.40Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C25 | sing | 1.48Å | 1.39Å | |
| C23 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C22 | sing | 1.51Å | 1.56Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C25 | N26 | sing | 1.33Å | 1.33Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| N26 | C20 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C18 | sing | 1.51Å | 1.56Å | |
| F41 | C38 | sing | 1.40Å | 1.35Å | |
| F40 | C38 | sing | 1.40Å | 1.34Å | |
| C18 | C38 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | O19 | sing | 1.43Å | 1.38Å | |
| C38 | F39 | sing | 1.40Å | 1.35Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| N16 | C14 | sing | 1.35Å | 1.46Å | |
| O15 | C14 | doub | 1.22Å | 1.18Å | |
| C14 | C05 | sing | 1.48Å | 1.53Å | |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
| C04 | C03 | doub | 1.36Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.41Å | 1.43Å | Aromatic |
| C07 | C13 | sing | 1.42Å | 1.38Å | Aromatic |
| C03 | C13 | sing | 1.41Å | 1.45Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| C08 | C09 | sing | 1.37Å | 1.41Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| C13 | N12 | doub | 1.34Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C09 | N11 | doub | 1.33Å | 1.34Å | Aromatic |
| N12 | N11 | sing | 1.28Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| N16 | H14 | sing | 0.97Å | 1.00Å | |
| O19 | H15 | sing | 0.97Å | 0.95Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| O37 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F31 | C30 | C29 | 120.1° | 119.9° |
| F31 | C30 | C32 | 119.0° | 119.9° |
| C30 | C29 | C28 | 119.2° | 120.0° |
| C29 | C30 | C32 | 120.9° | 120.2° |
| C30 | C29 | H16 | 120.4° | 120.0° |
| C29 | C28 | C27 | 120.3° | 120.0° |
| C29 | C28 | H7 | 119.8° | 120.1° |
| C28 | C29 | H16 | 120.4° | 119.9° |
| C30 | C32 | C33 | 120.2° | 120.1° |
| C30 | C32 | H17 | 119.9° | 120.0° |
| F24 | C23 | C25 | 120.8° | 120.5° |
| F24 | C23 | C22 | 119.2° | 120.4° |
| C28 | C27 | C33 | 120.0° | 119.8° |
| C28 | C27 | C25 | 121.6° | 120.1° |
| C27 | C28 | H7 | 119.8° | 120.0° |
| O37 | C34 | C36 | 107.8° | 109.5° |
| O37 | C34 | C22 | 110.5° | 109.4° |
| O37 | C34 | C35 | 107.3° | 109.5° |
| C34 | O37 | H25 | 109.5° | 114.0° |
| C32 | C33 | C27 | 119.3° | 119.9° |
| C33 | C32 | H17 | 119.9° | 120.0° |
| C32 | C33 | H18 | 120.3° | 120.0° |
| C33 | C27 | C25 | 118.4° | 120.0° |
| C27 | C33 | H18 | 120.4° | 120.1° |
| C27 | C25 | C23 | 123.9° | 119.8° |
| C27 | C25 | N26 | 116.2° | 119.7° |
| C25 | C23 | C22 | 120.0° | 119.0° |
| C23 | C25 | N26 | 120.0° | 120.5° |
| C23 | C22 | C34 | 121.2° | 120.8° |
| C23 | C22 | C21 | 117.2° | 118.4° |
| C36 | C34 | C22 | 108.4° | 109.5° |
| C36 | C34 | C35 | 113.1° | 109.5° |
| C34 | C36 | H22 | 109.5° | 109.4° |
| C34 | C36 | H23 | 109.5° | 109.5° |
| C34 | C36 | H24 | 109.5° | 109.5° |
| C22 | C34 | C35 | 109.8° | 109.5° |
| C34 | C22 | C21 | 121.6° | 120.8° |
| C34 | C35 | H19 | 109.5° | 109.5° |
| C34 | C35 | H20 | 109.5° | 109.4° |
| C34 | C35 | H21 | 109.4° | 109.5° |
| C25 | N26 | C20 | 123.1° | 121.6° |
| C22 | C21 | C20 | 119.4° | 119.5° |
| C22 | C21 | H6 | 120.3° | 120.3° |
| N26 | C20 | C21 | 120.4° | 120.9° |
| N26 | C20 | C18 | 117.7° | 119.5° |
| C21 | C20 | C18 | 122.0° | 119.6° |
| C20 | C21 | H6 | 120.3° | 120.3° |
| C20 | C18 | C38 | 109.2° | 109.4° |
| C20 | C18 | C17 | 106.2° | 109.5° |
| C20 | C18 | O19 | 109.9° | 109.4° |
| F41 | C38 | F40 | 109.4° | 109.5° |
| F41 | C38 | C18 | 110.3° | 109.4° |
| F41 | C38 | F39 | 109.5° | 109.4° |
| F40 | C38 | C18 | 109.0° | 109.5° |
| F40 | C38 | F39 | 107.4° | 109.5° |
| C38 | C18 | C17 | 112.8° | 109.5° |
| C38 | C18 | O19 | 110.9° | 109.5° |
| C18 | C38 | F39 | 111.1° | 109.5° |
| C17 | C18 | O19 | 107.7° | 109.5° |
| C18 | C17 | N16 | 115.9° | 109.4° |
| C18 | C17 | H4 | 107.8° | 109.4° |
| C18 | C17 | H5 | 107.9° | 109.5° |
| C18 | O19 | H15 | 109.5° | 114.0° |
| C17 | N16 | C14 | 117.7° | 120.0° |
| N16 | C17 | H4 | 107.8° | 109.5° |
| N16 | C17 | H5 | 107.8° | 109.5° |
| C17 | N16 | H14 | 121.1° | 120.0° |
| N16 | C14 | O15 | 121.1° | 120.0° |
| N16 | C14 | C05 | 121.1° | 120.0° |
| C14 | N16 | H14 | 121.2° | 120.0° |
| O15 | C14 | C05 | 117.8° | 120.0° |
| C14 | C05 | C06 | 118.7° | 119.7° |
| C14 | C05 | C04 | 119.5° | 119.7° |
| C06 | C05 | C04 | 121.8° | 120.5° |
| C05 | C06 | C07 | 118.9° | 119.4° |
| C05 | C06 | H12 | 120.6° | 120.3° |
| C05 | C04 | C03 | 120.1° | 120.9° |
| C05 | C04 | H11 | 119.9° | 119.5° |
| C06 | C07 | C08 | 118.8° | 122.0° |
| C06 | C07 | C13 | 120.5° | 119.9° |
| C07 | C06 | H12 | 120.5° | 120.3° |
| C04 | C03 | C13 | 118.3° | 119.9° |
| C04 | C03 | O02 | 122.4° | 120.0° |
| C03 | C04 | H11 | 120.0° | 119.5° |
| C08 | C07 | C13 | 120.7° | 118.1° |
| C07 | C08 | C09 | 118.3° | 117.5° |
| C07 | C08 | H13 | 120.9° | 121.2° |
| C07 | C13 | C03 | 120.4° | 119.4° |
| C07 | C13 | N12 | 118.6° | 119.0° |
| C13 | C03 | O02 | 119.3° | 120.1° |
| C03 | C13 | N12 | 121.1° | 121.6° |
| C03 | O02 | C01 | 120.5° | 117.0° |
| C08 | C09 | C10 | 118.8° | 119.7° |
| C08 | C09 | N11 | 119.9° | 120.7° |
| C09 | C08 | H13 | 120.8° | 121.3° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.5° | 109.5° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| C13 | N12 | N11 | 120.5° | 121.4° |
| C10 | C09 | N11 | 121.4° | 119.6° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.4° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.4° |
| C09 | N11 | N12 | 122.0° | 123.3° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H19 | C35 | H20 | 109.4° | 109.5° |
| H19 | C35 | H21 | 109.5° | 109.5° |
| H20 | C35 | H21 | 109.5° | 109.4° |
| H22 | C36 | H23 | 109.4° | 109.4° |
| H22 | C36 | H24 | 109.5° | 109.5° |
| H23 | C36 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F31 | C30 | C29 | C32 | 178.4° | 180.0° |
| F31 | C30 | C29 | C28 | 179.9° | 180.0° |
| F31 | C30 | C32 | C33 | 179.8° | 179.8° |
| F31 | C30 | C29 | H16 | 0.1° | 0.0° |
| F31 | C30 | C32 | H17 | 0.1° | 0.1° |
| C30 | C29 | C28 | H16 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 1.6° | 0.0° |
| C29 | C30 | C32 | C33 | 1.4° | 0.2° |
| C30 | C29 | C28 | H7 | 178.3° | 179.7° |
| C29 | C30 | C32 | H17 | 178.5° | 179.9° |
| C28 | C29 | C30 | C32 | 1.5° | 0.0° |
| C29 | C28 | C27 | H7 | 180.0° | 179.7° |
| C29 | C28 | C27 | C33 | 1.7° | 0.3° |
| C29 | C28 | C27 | C25 | 179.6° | 179.7° |
| C30 | C32 | C33 | H17 | 180.0° | 179.9° |
| C30 | C32 | C33 | C27 | 1.5° | 0.5° |
| C32 | C30 | C29 | H16 | 178.5° | 180.0° |
| C30 | C32 | C33 | H18 | 178.6° | 180.0° |
| F24 | C23 | C25 | C27 | 0.7° | 0.2° |
| F24 | C23 | C25 | C22 | 179.7° | 179.8° |
| F24 | C23 | C22 | C34 | 0.2° | 0.2° |
| F24 | C23 | C25 | N26 | 179.3° | 179.9° |
| F24 | C23 | C22 | C21 | 179.5° | 179.8° |
| C28 | C27 | C33 | C32 | 1.6° | 0.5° |
| C28 | C27 | C33 | C25 | 178.7° | 180.0° |
| C28 | C27 | C25 | C23 | 56.9° | 145.0° |
| C28 | C27 | C25 | N26 | 124.3° | 35.3° |
| C27 | C28 | C29 | H16 | 178.4° | 179.9° |
| C28 | C27 | C33 | H18 | 178.4° | 180.0° |
| O37 | C34 | C22 | C23 | 35.1° | 180.0° |
| O37 | C34 | C36 | C22 | 119.6° | 120.0° |
| O37 | C34 | C36 | C35 | 118.4° | 120.0° |
| O37 | C34 | C22 | C35 | 118.1° | 120.0° |
| O37 | C34 | C22 | C21 | 145.2° | 0.0° |
| O37 | C34 | C35 | H19 | 180.0° | 180.0° |
| O37 | C34 | C35 | H20 | 60.0° | 60.0° |
| O37 | C34 | C35 | H21 | 60.0° | 59.9° |
| O37 | C34 | C36 | H22 | 180.0° | 60.0° |
| O37 | C34 | C36 | H23 | 60.0° | 60.0° |
| O37 | C34 | C36 | H24 | 60.0° | 180.0° |
| C32 | C33 | C27 | H18 | 180.0° | 179.5° |
| C32 | C33 | C27 | C25 | 179.7° | 179.5° |
| C33 | C27 | C25 | C23 | 121.8° | 35.0° |
| C33 | C27 | C25 | N26 | 57.0° | 144.7° |
| C33 | C27 | C28 | H7 | 178.3° | 180.0° |
| C27 | C33 | C32 | H17 | 178.5° | 179.7° |
| C27 | C25 | C23 | N26 | 178.7° | 179.7° |
| C27 | C25 | C23 | C22 | 179.6° | 179.9° |
| C27 | C25 | N26 | C20 | 179.5° | 179.7° |
| C25 | C27 | C28 | H7 | 0.4° | 0.0° |
| C25 | C27 | C33 | H18 | 0.3° | 0.0° |
| C25 | C23 | C22 | C34 | 179.6° | 180.0° |
| C25 | C23 | C22 | C21 | 0.7° | 0.0° |
| C23 | C25 | N26 | C20 | 0.8° | 0.6° |
| C23 | C22 | C34 | C36 | 82.8° | 60.0° |
| C23 | C22 | C34 | C21 | 179.7° | 180.0° |
| C23 | C22 | C34 | C35 | 153.3° | 60.0° |
| C22 | C23 | C25 | N26 | 0.9° | 0.2° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C23 | C22 | C21 | H6 | 179.6° | 180.0° |
| C36 | C34 | C22 | C35 | 124.0° | 120.0° |
| C36 | C34 | C22 | C21 | 96.9° | 120.0° |
| C36 | C34 | C35 | H19 | 61.3° | 60.0° |
| C36 | C34 | C35 | H20 | 178.6° | 60.0° |
| C36 | C34 | C35 | H21 | 58.7° | 180.0° |
| C34 | C36 | H22 | H23 | 120.0° | 120.0° |
| C34 | C36 | H22 | H24 | 120.0° | 120.0° |
| C34 | C36 | H23 | H24 | 120.0° | 120.0° |
| C36 | C34 | O37 | H25 | 180.0° | 180.0° |
| C34 | C22 | C21 | C20 | 179.9° | 180.0° |
| C34 | C22 | C21 | H6 | 0.1° | 0.0° |
| C22 | C34 | C35 | H19 | 59.8° | 60.0° |
| C22 | C34 | C35 | H20 | 60.2° | 180.0° |
| C22 | C34 | C35 | H21 | 179.8° | 60.0° |
| C22 | C34 | C36 | H22 | 60.4° | 60.0° |
| C22 | C34 | C36 | H23 | 179.7° | 179.9° |
| C22 | C34 | C36 | H24 | 59.6° | 60.0° |
| C22 | C34 | O37 | H25 | 61.7° | 60.0° |
| C35 | C34 | C22 | C21 | 27.1° | 120.0° |
| C34 | C35 | H19 | H20 | 120.0° | 120.0° |
| C34 | C35 | H19 | H21 | 120.0° | 120.1° |
| C34 | C35 | H20 | H21 | 120.0° | 120.0° |
| C35 | C34 | C36 | H22 | 61.6° | 180.0° |
| C35 | C34 | C36 | H23 | 58.4° | 60.1° |
| C35 | C34 | C36 | H24 | 178.4° | 60.0° |
| C35 | C34 | O37 | H25 | 57.9° | 59.9° |
| C25 | N26 | C20 | C21 | 0.4° | 0.6° |
| C25 | N26 | C20 | C18 | 179.4° | 179.8° |
| C22 | C21 | C20 | N26 | 0.2° | 0.3° |
| C22 | C21 | C20 | H6 | 180.0° | 179.9° |
| C22 | C21 | C20 | C18 | 179.2° | 180.0° |
| N26 | C20 | C21 | C18 | 178.9° | 179.6° |
| N26 | C20 | C18 | C38 | 87.5° | 120.3° |
| N26 | C20 | C18 | C17 | 34.4° | 0.3° |
| N26 | C20 | C18 | O19 | 150.7° | 119.7° |
| N26 | C20 | C21 | H6 | 179.8° | 179.7° |
| C21 | C20 | C18 | C38 | 93.5° | 60.0° |
| C21 | C20 | C18 | C17 | 144.6° | 179.9° |
| C21 | C20 | C18 | O19 | 28.3° | 59.9° |
| C20 | C18 | C38 | F41 | 59.7° | 60.0° |
| C20 | C18 | C38 | F40 | 60.5° | 180.0° |
| C20 | C18 | C38 | C17 | 117.9° | 120.0° |
| C20 | C18 | C38 | O19 | 121.2° | 119.9° |
| C20 | C18 | C17 | O19 | 117.7° | 120.0° |
| C20 | C18 | C38 | F39 | 178.7° | 59.9° |
| C20 | C18 | C17 | N16 | 160.0° | 180.0° |
| C20 | C18 | C17 | H4 | 39.1° | 60.0° |
| C20 | C18 | C17 | H5 | 79.1° | 60.0° |
| C18 | C20 | C21 | H6 | 0.8° | 0.1° |
| C20 | C18 | O19 | H15 | 180.0° | 60.1° |
| F41 | C38 | F40 | C18 | 120.7° | 120.0° |
| F41 | C38 | F40 | F39 | 118.8° | 120.0° |
| F41 | C38 | C18 | F39 | 121.7° | 120.0° |
| F41 | C38 | C18 | C17 | 58.2° | 60.0° |
| F41 | C38 | C18 | O19 | 179.1° | 180.0° |
| F40 | C38 | C18 | F39 | 118.2° | 120.1° |
| F40 | C38 | C18 | C17 | 178.4° | 60.0° |
| F40 | C38 | C18 | O19 | 60.7° | 60.1° |
| C38 | C18 | C17 | O19 | 122.7° | 120.0° |
| C38 | C18 | C17 | N16 | 80.4° | 60.0° |
| C38 | C18 | C17 | H4 | 158.7° | 60.0° |
| C38 | C18 | C17 | H5 | 40.6° | 180.0° |
| C38 | C18 | O19 | H15 | 59.2° | 180.0° |
| C17 | C18 | C38 | F39 | 63.4° | 180.0° |
| C18 | C17 | N16 | H4 | 120.9° | 119.9° |
| C18 | C17 | N16 | H5 | 121.0° | 120.0° |
| C18 | C17 | N16 | C14 | 104.1° | 180.0° |
| C18 | C17 | H4 | H5 | 117.1° | 120.0° |
| C18 | C17 | N16 | H14 | 76.0° | 0.0° |
| C17 | C18 | O19 | H15 | 64.7° | 60.0° |
| O19 | C18 | C38 | F39 | 57.5° | 60.0° |
| O19 | C18 | C17 | N16 | 42.3° | 60.0° |
| O19 | C18 | C17 | H4 | 78.6° | 180.0° |
| O19 | C18 | C17 | H5 | 163.3° | 60.0° |
| C17 | N16 | C14 | H14 | 180.0° | 180.0° |
| C17 | N16 | C14 | O15 | 3.6° | 0.1° |
| C17 | N16 | C14 | C05 | 179.3° | 180.0° |
| N16 | C17 | H4 | H5 | 117.1° | 120.1° |
| N16 | C14 | O15 | C05 | 177.2° | 179.9° |
| N16 | C14 | C05 | C06 | 25.2° | 180.0° |
| N16 | C14 | C05 | C04 | 155.7° | 0.0° |
| C14 | N16 | C17 | H4 | 135.0° | 60.1° |
| C14 | N16 | C17 | H5 | 16.9° | 60.0° |
| O15 | C14 | C05 | C06 | 157.6° | 0.0° |
| O15 | C14 | C05 | C04 | 21.5° | 179.9° |
| O15 | C14 | N16 | H14 | 176.4° | 180.0° |
| C14 | C05 | C06 | C04 | 179.1° | 180.0° |
| C14 | C05 | C06 | C07 | 178.8° | 180.0° |
| C14 | C05 | C04 | C03 | 179.2° | 180.0° |
| C14 | C05 | C04 | H11 | 0.8° | 0.0° |
| C14 | C05 | C06 | H12 | 1.2° | 0.0° |
| C05 | C14 | N16 | H14 | 0.7° | 0.0° |
| C05 | C06 | C07 | H12 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C05 | C06 | C07 | C08 | 179.5° | 180.0° |
| C05 | C06 | C07 | C13 | 0.8° | 0.0° |
| C06 | C05 | C04 | H11 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.1° |
| C05 | C04 | C03 | H11 | 180.0° | 180.0° |
| C05 | C04 | C03 | C13 | 0.0° | 0.0° |
| C05 | C04 | C03 | O02 | 179.7° | 180.0° |
| C04 | C05 | C06 | H12 | 179.7° | 180.0° |
| C06 | C07 | C08 | C13 | 179.7° | 179.9° |
| C06 | C07 | C13 | C03 | 0.9° | 0.0° |
| C06 | C07 | C08 | C09 | 179.2° | 180.0° |
| C06 | C07 | C13 | N12 | 179.4° | 179.9° |
| C06 | C07 | C08 | H13 | 0.8° | 0.0° |
| C04 | C03 | C13 | C07 | 0.5° | 0.0° |
| C04 | C03 | C13 | O02 | 179.7° | 180.0° |
| C04 | C03 | O02 | C01 | 4.9° | 0.0° |
| C04 | C03 | C13 | N12 | 178.9° | 180.0° |
| C08 | C07 | C13 | C03 | 179.4° | 179.9° |
| C07 | C08 | C09 | H13 | 180.0° | 180.0° |
| C08 | C07 | C13 | N12 | 0.9° | 0.0° |
| C07 | C08 | C09 | C10 | 179.3° | 180.0° |
| C07 | C08 | C09 | N11 | 0.5° | 0.1° |
| C08 | C07 | C06 | H12 | 0.5° | 0.1° |
| C07 | C13 | C03 | N12 | 178.4° | 179.9° |
| C07 | C13 | C03 | O02 | 179.2° | 180.0° |
| C13 | C07 | C08 | C09 | 0.5° | 0.1° |
| C07 | C13 | N12 | N11 | 2.3° | 0.0° |
| C13 | C07 | C06 | H12 | 179.2° | 180.0° |
| C13 | C07 | C08 | H13 | 179.5° | 179.9° |
| C13 | C03 | O02 | C01 | 175.4° | 180.0° |
| C03 | C13 | N12 | N11 | 179.2° | 180.0° |
| C13 | C03 | C04 | H11 | 179.9° | 180.0° |
| O02 | C03 | C13 | N12 | 0.8° | 0.0° |
| C03 | O02 | C01 | H8 | 180.0° | 60.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.0° |
| C03 | O02 | C01 | H10 | 60.0° | 180.0° |
| O02 | C03 | C04 | H11 | 0.2° | 0.0° |
| C08 | C09 | C10 | N11 | 179.9° | 179.9° |
| C08 | C09 | N11 | N12 | 0.8° | 0.1° |
| C08 | C09 | C10 | H1 | 179.9° | 90.0° |
| C08 | C09 | C10 | H2 | 59.8° | 150.0° |
| C08 | C09 | C10 | H3 | 60.1° | 30.1° |
| O02 | C01 | H8 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H10 | 120.0° | 120.1° |
| O02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C13 | N12 | N11 | C09 | 2.3° | 0.0° |
| C10 | C09 | N11 | N12 | 179.3° | 180.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 119.9° |
| C10 | C09 | C08 | H13 | 0.7° | 0.0° |
| N11 | C09 | C10 | H1 | 0.0° | 89.9° |
| N11 | C09 | C10 | H2 | 120.0° | 30.1° |
| N11 | C09 | C10 | H3 | 120.0° | 150.1° |
| N11 | C09 | C08 | H13 | 179.4° | 179.9° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C17 | N16 | H14 | 45.0° | 119.9° |
| H5 | C17 | N16 | H14 | 163.1° | 120.0° |
| H7 | C28 | C29 | H16 | 1.7° | 0.2° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H17 | C32 | C33 | H18 | 1.5° | 0.2° |
| H19 | C35 | H20 | H21 | 120.0° | 120.0° |
| H22 | C36 | H23 | H24 | 120.0° | 120.0° |
