4OF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N22 | sing | 1.47Å | 1.21Å | |
| C21 | N22 | sing | 1.47Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N22 | C24 | sing | 1.47Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.44Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| O41 | S05 | doub | 1.42Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C25 | C19 | sing | 1.53Å | 1.44Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C02 | S05 | sing | 1.81Å | 1.82Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| S05 | O40 | doub | 1.42Å | 1.47Å | |
| S05 | N06 | sing | 1.66Å | 1.72Å | |
| C18 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| N06 | C07 | sing | 1.40Å | 1.46Å | |
| C26 | F27 | sing | 1.35Å | 1.36Å | |
| C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.45Å | |
| CL39 | C38 | sing | 1.74Å | 1.78Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| N14 | C13 | sing | 1.39Å | 1.45Å | |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N12 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | N29 | sing | 1.32Å | 1.32Å | Aromatic |
| N12 | C11 | sing | 1.33Å | 1.33Å | Aromatic |
| N29 | C30 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | N10 | sing | 1.40Å | 1.46Å | |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N10 | sing | 1.39Å | 1.46Å | |
| C11 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| F33 | C32 | sing | 1.40Å | 1.35Å | |
| C32 | F34 | sing | 1.40Å | 1.36Å | |
| C32 | F35 | sing | 1.40Å | 1.35Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| N06 | H29 | sing | 0.97Å | 1.00Å | |
| N10 | H30 | sing | 0.97Å | 1.00Å | |
| N14 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N22 | C21 | 108.9° | 111.0° |
| C23 | N22 | C24 | 109.2° | 111.0° |
| N22 | C23 | H21 | 109.5° | 109.4° |
| N22 | C23 | H22 | 109.4° | 109.4° |
| N22 | C23 | H23 | 109.5° | 109.5° |
| N22 | C21 | C20 | 111.3° | 109.5° |
| C21 | N22 | C24 | 113.0° | 111.2° |
| N22 | C21 | H4 | 109.0° | 109.5° |
| N22 | C21 | H5 | 109.0° | 109.4° |
| C21 | C20 | C19 | 113.5° | 109.3° |
| C21 | C20 | H2 | 108.5° | 109.5° |
| C21 | C20 | H3 | 108.5° | 109.5° |
| C20 | C21 | H4 | 109.0° | 109.5° |
| C20 | C21 | H5 | 109.0° | 109.5° |
| N22 | C24 | C25 | 114.0° | 109.5° |
| N22 | C24 | H6 | 108.3° | 109.5° |
| N22 | C24 | H7 | 108.3° | 109.4° |
| C20 | C19 | C25 | 116.0° | 109.1° |
| C20 | C19 | C18 | 108.5° | 109.5° |
| C19 | C20 | H2 | 108.4° | 109.5° |
| C19 | C20 | H3 | 108.5° | 109.5° |
| C20 | C19 | H20 | 109.2° | 109.5° |
| C24 | C25 | C19 | 114.9° | 109.3° |
| C25 | C24 | H6 | 108.3° | 109.5° |
| C25 | C24 | H7 | 108.3° | 109.5° |
| C24 | C25 | H24 | 108.1° | 109.5° |
| C24 | C25 | H25 | 108.1° | 109.5° |
| C04 | C02 | C03 | 109.9° | 109.5° |
| C04 | C02 | S05 | 108.2° | 109.5° |
| C04 | C02 | C01 | 110.6° | 109.4° |
| C02 | C04 | H15 | 109.5° | 109.4° |
| C02 | C04 | H16 | 109.5° | 109.5° |
| C02 | C04 | H17 | 109.5° | 109.5° |
| O41 | S05 | C02 | 108.2° | 110.6° |
| O41 | S05 | O40 | 105.0° | 121.0° |
| O41 | S05 | N06 | 109.1° | 104.3° |
| C03 | C02 | S05 | 108.3° | 109.5° |
| C03 | C02 | C01 | 110.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.4° |
| C02 | C03 | H14 | 109.5° | 109.4° |
| C25 | C19 | C18 | 105.9° | 109.5° |
| C25 | C19 | H20 | 109.1° | 109.6° |
| C19 | C25 | H24 | 108.1° | 109.5° |
| C19 | C25 | H25 | 108.1° | 109.5° |
| C19 | C18 | C17 | 120.7° | 119.9° |
| C19 | C18 | C26 | 118.6° | 120.0° |
| C18 | C19 | H20 | 107.9° | 109.5° |
| S05 | C02 | C01 | 109.2° | 109.4° |
| C02 | S05 | O40 | 111.0° | 110.5° |
| C02 | S05 | N06 | 110.0° | 104.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C18 | C17 | C16 | 118.9° | 120.1° |
| C17 | C18 | C26 | 120.7° | 120.1° |
| C18 | C17 | H1 | 120.5° | 120.0° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C16 | C17 | H1 | 120.6° | 119.9° |
| C17 | C16 | H19 | 119.8° | 120.0° |
| O40 | S05 | N06 | 113.3° | 104.3° |
| S05 | N06 | C07 | 123.8° | 120.0° |
| S05 | N06 | H29 | 105.8° | 120.1° |
| C18 | C26 | F27 | 118.6° | 120.0° |
| C18 | C26 | C28 | 120.8° | 120.1° |
| C16 | C15 | C28 | 120.6° | 119.9° |
| C16 | C15 | N14 | 116.8° | 120.1° |
| C15 | C16 | H19 | 119.8° | 120.0° |
| N06 | C07 | C08 | 122.0° | 120.1° |
| N06 | C07 | C38 | 117.4° | 120.0° |
| C07 | N06 | H29 | 105.8° | 119.9° |
| F27 | C26 | C28 | 120.6° | 119.9° |
| C26 | C28 | C15 | 118.6° | 119.9° |
| C26 | C28 | H8 | 120.7° | 120.1° |
| C28 | C15 | N14 | 122.5° | 120.0° |
| C15 | C28 | H8 | 120.7° | 120.0° |
| C15 | N14 | C13 | 128.2° | 120.0° |
| C15 | N14 | H31 | 115.9° | 120.0° |
| CL39 | C38 | C07 | 117.7° | 120.0° |
| CL39 | C38 | C37 | 121.2° | 120.0° |
| C08 | C07 | C38 | 120.6° | 119.9° |
| C07 | C08 | C09 | 118.3° | 119.9° |
| C07 | C08 | H18 | 120.9° | 120.0° |
| C07 | C38 | C37 | 121.1° | 120.1° |
| N14 | C13 | N12 | 121.7° | 119.1° |
| N14 | C13 | N29 | 115.2° | 119.2° |
| C13 | N14 | H31 | 115.9° | 120.0° |
| C08 | C09 | C36 | 121.2° | 120.0° |
| C08 | C09 | N10 | 121.6° | 120.0° |
| C09 | C08 | H18 | 120.9° | 120.1° |
| C38 | C37 | C36 | 118.6° | 120.1° |
| C38 | C37 | H28 | 120.7° | 119.9° |
| N12 | C13 | N29 | 123.1° | 121.6° |
| C13 | N12 | C11 | 118.6° | 120.6° |
| C13 | N29 | C30 | 120.8° | 121.0° |
| N12 | C11 | N10 | 120.9° | 120.5° |
| N12 | C11 | C31 | 120.6° | 119.1° |
| N29 | C30 | C31 | 119.3° | 119.3° |
| N29 | C30 | H26 | 120.4° | 120.4° |
| C36 | C09 | N10 | 117.1° | 120.0° |
| C09 | C36 | C37 | 120.2° | 120.1° |
| C09 | C36 | H27 | 119.9° | 120.0° |
| C09 | N10 | C11 | 124.0° | 120.0° |
| C09 | N10 | H30 | 118.0° | 120.0° |
| C37 | C36 | H27 | 119.9° | 120.0° |
| C36 | C37 | H28 | 120.7° | 120.0° |
| N10 | C11 | C31 | 118.5° | 120.4° |
| C11 | N10 | H30 | 118.0° | 120.0° |
| C11 | C31 | C30 | 117.6° | 118.5° |
| C11 | C31 | C32 | 122.0° | 120.8° |
| C30 | C31 | C32 | 120.4° | 120.7° |
| C31 | C30 | H26 | 120.4° | 120.3° |
| C31 | C32 | F33 | 110.1° | 109.4° |
| C31 | C32 | F34 | 111.2° | 109.5° |
| C31 | C32 | F35 | 112.2° | 109.4° |
| F33 | C32 | F34 | 107.0° | 109.5° |
| F33 | C32 | F35 | 105.9° | 109.5° |
| F34 | C32 | F35 | 110.2° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C03 | H13 | 109.4° | 109.4° |
| H12 | C03 | H14 | 109.5° | 109.5° |
| H13 | C03 | H14 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.4° |
| H15 | C04 | H17 | 109.4° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| H21 | C23 | H23 | 109.4° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N22 | C21 | C24 | 121.4° | 124.1° |
| C23 | N22 | C21 | C20 | 176.9° | 62.4° |
| C23 | N22 | C24 | C25 | 148.7° | 62.4° |
| C23 | N22 | C21 | H4 | 62.8° | 177.6° |
| C23 | N22 | C21 | H5 | 56.6° | 57.6° |
| C23 | N22 | C24 | H6 | 90.6° | 57.7° |
| C23 | N22 | C24 | H7 | 28.1° | 177.7° |
| N22 | C23 | H21 | H22 | 120.0° | 119.9° |
| N22 | C23 | H21 | H23 | 120.0° | 120.1° |
| N22 | C23 | H22 | H23 | 120.0° | 120.0° |
| N22 | C21 | C20 | H4 | 120.3° | 120.0° |
| N22 | C21 | C20 | H5 | 120.3° | 120.0° |
| N22 | C21 | C20 | C19 | 41.5° | 59.2° |
| C21 | N22 | C24 | C25 | 27.4° | 61.7° |
| N22 | C21 | C20 | H2 | 162.1° | 60.8° |
| N22 | C21 | C20 | H3 | 79.1° | 179.1° |
| N22 | C21 | H4 | H5 | 119.2° | 119.9° |
| C21 | N22 | C24 | H6 | 148.1° | 178.2° |
| C21 | N22 | C24 | H7 | 93.2° | 58.3° |
| C21 | N22 | C23 | H21 | 180.0° | 60.0° |
| C21 | N22 | C23 | H22 | 60.0° | 180.0° |
| C21 | N22 | C23 | H23 | 60.0° | 60.0° |
| C20 | C21 | N22 | C24 | 61.6° | 61.7° |
| C21 | C20 | C19 | H2 | 120.6° | 120.0° |
| C21 | C20 | C19 | H3 | 120.6° | 120.0° |
| C21 | C20 | C19 | C25 | 11.4° | 57.7° |
| C21 | C20 | C19 | C18 | 130.3° | 177.6° |
| C21 | C20 | H2 | H3 | 118.2° | 120.1° |
| C20 | C21 | H4 | H5 | 119.2° | 120.0° |
| C21 | C20 | C19 | H20 | 112.3° | 62.3° |
| N22 | C24 | C25 | H6 | 120.6° | 120.0° |
| N22 | C24 | C25 | H7 | 120.7° | 120.0° |
| N22 | C24 | C25 | C19 | 25.6° | 59.2° |
| C24 | N22 | C21 | H4 | 58.6° | 58.3° |
| C24 | N22 | C21 | H5 | 178.1° | 178.3° |
| N22 | C24 | H6 | H7 | 118.0° | 119.9° |
| C24 | N22 | C23 | H21 | 56.3° | 64.2° |
| C24 | N22 | C23 | H22 | 176.2° | 55.8° |
| C24 | N22 | C23 | H23 | 63.7° | 175.8° |
| N22 | C24 | C25 | H24 | 146.4° | 179.1° |
| N22 | C24 | C25 | H25 | 95.3° | 60.8° |
| C20 | C19 | C25 | C24 | 45.2° | 57.6° |
| C20 | C19 | C25 | C18 | 120.4° | 119.9° |
| C20 | C19 | C25 | H20 | 123.8° | 119.9° |
| C20 | C19 | C18 | H20 | 118.2° | 120.1° |
| C20 | C19 | C18 | C17 | 62.2° | 60.0° |
| C20 | C19 | C18 | C26 | 117.0° | 120.3° |
| C19 | C20 | H2 | H3 | 118.2° | 120.0° |
| C19 | C20 | C21 | H4 | 78.8° | 60.9° |
| C19 | C20 | C21 | H5 | 161.8° | 179.2° |
| C20 | C19 | C25 | H24 | 166.0° | 177.6° |
| C20 | C19 | C25 | H25 | 75.6° | 62.3° |
| C24 | C25 | C19 | H24 | 120.8° | 119.9° |
| C24 | C25 | C19 | H25 | 120.8° | 120.0° |
| C24 | C25 | C19 | C18 | 165.6° | 177.6° |
| C25 | C24 | H6 | H7 | 117.9° | 120.0° |
| C24 | C25 | C19 | H20 | 78.5° | 62.3° |
| C24 | C25 | H24 | H25 | 117.5° | 120.1° |
| C04 | C02 | S05 | O41 | 59.1° | 68.3° |
| C04 | C02 | C03 | S05 | 118.0° | 120.0° |
| C04 | C02 | C03 | C01 | 122.4° | 120.0° |
| C04 | C02 | S05 | C01 | 120.5° | 120.0° |
| C04 | C02 | S05 | O40 | 55.6° | 68.4° |
| C04 | C02 | S05 | N06 | 178.1° | 179.9° |
| C04 | C02 | C01 | H9 | 180.0° | 60.0° |
| C04 | C02 | C01 | H10 | 60.0° | 60.0° |
| C04 | C02 | C01 | H11 | 60.0° | 180.0° |
| C04 | C02 | C03 | H12 | 180.0° | 180.0° |
| C04 | C02 | C03 | H13 | 60.0° | 60.0° |
| C04 | C02 | C03 | H14 | 60.0° | 60.0° |
| C02 | C04 | H15 | H16 | 120.0° | 119.9° |
| C02 | C04 | H15 | H17 | 120.0° | 120.0° |
| C02 | C04 | H16 | H17 | 120.0° | 120.1° |
| O41 | S05 | C02 | C03 | 60.0° | 171.6° |
| O41 | S05 | C02 | O40 | 114.7° | 136.7° |
| O41 | S05 | C02 | N06 | 119.1° | 111.6° |
| O41 | S05 | C02 | C01 | 179.5° | 51.6° |
| O41 | S05 | O40 | N06 | 118.9° | 116.7° |
| O41 | S05 | N06 | C07 | 162.1° | 178.9° |
| O41 | S05 | N06 | H29 | 75.9° | 1.1° |
| C03 | C02 | S05 | C01 | 120.4° | 120.0° |
| C03 | C02 | S05 | O40 | 174.7° | 51.7° |
| C03 | C02 | S05 | N06 | 59.0° | 60.0° |
| C03 | C02 | C01 | H9 | 58.0° | 180.0° |
| C03 | C02 | C01 | H10 | 178.1° | 60.0° |
| C03 | C02 | C01 | H11 | 61.9° | 60.0° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H14 | 120.0° | 120.0° |
| C02 | C03 | H13 | H14 | 120.0° | 119.9° |
| C03 | C02 | C04 | H15 | 180.0° | 60.0° |
| C03 | C02 | C04 | H16 | 60.0° | 59.9° |
| C03 | C02 | C04 | H17 | 60.0° | 180.0° |
| C25 | C19 | C18 | H20 | 116.7° | 120.2° |
| C25 | C19 | C18 | C17 | 62.9° | 59.7° |
| C25 | C19 | C18 | C26 | 117.9° | 120.0° |
| C25 | C19 | C20 | H2 | 109.2° | 62.3° |
| C25 | C19 | C20 | H3 | 132.0° | 177.6° |
| C19 | C25 | C24 | H6 | 95.1° | 179.2° |
| C19 | C25 | C24 | H7 | 146.2° | 60.8° |
| C19 | C25 | H24 | H25 | 117.5° | 120.1° |
| C19 | C18 | C17 | C26 | 179.2° | 179.7° |
| C19 | C18 | C17 | C16 | 179.5° | 179.9° |
| C19 | C18 | C26 | F27 | 0.4° | 0.3° |
| C19 | C18 | C26 | C28 | 178.9° | 179.8° |
| C19 | C18 | C17 | H1 | 0.5° | 0.3° |
| C18 | C19 | C20 | H2 | 9.8° | 57.6° |
| C18 | C19 | C20 | H3 | 109.1° | 62.4° |
| C18 | C19 | C25 | H24 | 73.6° | 62.5° |
| C18 | C19 | C25 | H25 | 44.8° | 57.6° |
| C02 | S05 | O40 | N06 | 124.4° | 111.8° |
| C02 | S05 | N06 | C07 | 79.3° | 65.1° |
| S05 | C02 | C01 | H9 | 61.0° | 60.0° |
| S05 | C02 | C01 | H10 | 59.0° | 180.0° |
| S05 | C02 | C01 | H11 | 179.0° | 60.0° |
| S05 | C02 | C03 | H12 | 62.0° | 60.0° |
| S05 | C02 | C03 | H13 | 178.0° | 179.9° |
| S05 | C02 | C03 | H14 | 58.0° | 60.1° |
| S05 | C02 | C04 | H15 | 61.9° | 60.1° |
| S05 | C02 | C04 | H16 | 58.1° | 180.0° |
| S05 | C02 | C04 | H17 | 178.1° | 60.0° |
| C02 | S05 | N06 | H29 | 42.6° | 115.0° |
| C01 | C02 | S05 | O40 | 64.9° | 171.6° |
| C01 | C02 | S05 | N06 | 61.4° | 60.0° |
| C02 | C01 | H9 | H10 | 120.1° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 57.6° | 60.0° |
| C01 | C02 | C03 | H13 | 62.4° | 60.0° |
| C01 | C02 | C03 | H14 | 177.6° | 180.0° |
| C01 | C02 | C04 | H15 | 57.7° | 180.0° |
| C01 | C02 | C04 | H16 | 177.7° | 60.1° |
| C01 | C02 | C04 | H17 | 62.3° | 60.0° |
| C18 | C17 | C16 | H1 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.8° | 0.1° |
| C17 | C18 | C26 | F27 | 179.7° | 180.0° |
| C17 | C18 | C26 | C28 | 0.3° | 0.5° |
| C18 | C17 | C16 | H19 | 179.2° | 179.9° |
| C17 | C18 | C19 | H20 | 179.6° | 179.9° |
| C16 | C17 | C18 | C26 | 0.3° | 0.2° |
| C17 | C16 | C15 | H19 | 180.0° | 179.8° |
| C17 | C16 | C15 | C28 | 0.7° | 0.1° |
| C17 | C16 | C15 | N14 | 178.7° | 179.7° |
| O40 | S05 | N06 | C07 | 45.6° | 51.0° |
| O40 | S05 | N06 | H29 | 167.6° | 129.0° |
| S05 | N06 | C07 | H29 | 121.9° | 180.0° |
| S05 | N06 | C07 | C08 | 38.9° | 35.6° |
| S05 | N06 | C07 | C38 | 142.5° | 144.6° |
| C18 | C26 | F27 | C28 | 179.4° | 179.5° |
| C18 | C26 | C28 | C15 | 0.4° | 0.5° |
| C26 | C18 | C17 | H1 | 179.7° | 180.0° |
| C18 | C26 | C28 | H8 | 179.6° | 179.4° |
| C26 | C18 | C19 | H20 | 1.2° | 0.2° |
| C16 | C15 | C28 | C26 | 0.1° | 0.2° |
| C16 | C15 | C28 | N14 | 177.9° | 179.8° |
| C16 | C15 | N14 | C13 | 158.8° | 34.1° |
| C15 | C16 | C17 | H1 | 179.2° | 179.7° |
| C16 | C15 | C28 | H8 | 179.9° | 179.7° |
| C16 | C15 | N14 | H31 | 21.2° | 145.9° |
| N06 | C07 | C38 | CL39 | 1.7° | 0.2° |
| N06 | C07 | C08 | C38 | 178.6° | 179.8° |
| N06 | C07 | C08 | C09 | 178.3° | 179.8° |
| N06 | C07 | C38 | C37 | 179.1° | 179.8° |
| N06 | C07 | C08 | H18 | 1.7° | 0.2° |
| F27 | C26 | C28 | C15 | 179.8° | 180.0° |
| F27 | C26 | C28 | H8 | 0.2° | 0.1° |
| C26 | C28 | C15 | H8 | 180.0° | 179.9° |
| C26 | C28 | C15 | N14 | 178.0° | 180.0° |
| C28 | C15 | N14 | C13 | 23.2° | 146.2° |
| C28 | C15 | C16 | H19 | 179.3° | 180.0° |
| C28 | C15 | N14 | H31 | 156.8° | 33.9° |
| C15 | N14 | C13 | H31 | 180.0° | 179.9° |
| C15 | N14 | C13 | N12 | 6.3° | 175.0° |
| C15 | N14 | C13 | N29 | 172.9° | 5.0° |
| N14 | C15 | C28 | H8 | 2.0° | 0.0° |
| N14 | C15 | C16 | H19 | 1.3° | 0.2° |
| CL39 | C38 | C07 | C08 | 179.7° | 180.0° |
| CL39 | C38 | C07 | C37 | 179.3° | 180.0° |
| CL39 | C38 | C37 | C36 | 179.9° | 180.0° |
| CL39 | C38 | C37 | H28 | 0.1° | 0.0° |
| C07 | C08 | C09 | H18 | 180.0° | 180.0° |
| C08 | C07 | C38 | C37 | 0.4° | 0.0° |
| C07 | C08 | C09 | C36 | 0.8° | 0.0° |
| C07 | C08 | C09 | N10 | 179.3° | 180.0° |
| C08 | C07 | N06 | H29 | 160.8° | 144.3° |
| C38 | C07 | C08 | C09 | 0.3° | 0.0° |
| C07 | C38 | C37 | C36 | 0.6° | 0.0° |
| C38 | C07 | C08 | H18 | 179.7° | 180.0° |
| C07 | C38 | C37 | H28 | 179.4° | 180.0° |
| C38 | C07 | N06 | H29 | 20.6° | 35.5° |
| N14 | C13 | N12 | N29 | 179.1° | 180.0° |
| N14 | C13 | N12 | C11 | 179.0° | 180.0° |
| N14 | C13 | N29 | C30 | 179.0° | 180.0° |
| C08 | C09 | C36 | N10 | 178.6° | 180.0° |
| C08 | C09 | C36 | C37 | 0.6° | 0.0° |
| C08 | C09 | N10 | C11 | 23.2° | 147.2° |
| C08 | C09 | C36 | H27 | 179.4° | 180.0° |
| C08 | C09 | N10 | H30 | 156.8° | 32.8° |
| C38 | C37 | C36 | C09 | 0.1° | 0.0° |
| C38 | C37 | C36 | H28 | 180.0° | 180.0° |
| C38 | C37 | C36 | H27 | 179.9° | 180.0° |
| N12 | C13 | N29 | C30 | 0.2° | 0.0° |
| C13 | N12 | C11 | N10 | 179.2° | 180.0° |
| C13 | N12 | C11 | C31 | 0.9° | 0.1° |
| N12 | C13 | N14 | H31 | 173.7° | 4.9° |
| N29 | C13 | N12 | C11 | 0.1° | 0.0° |
| C13 | N29 | C30 | C31 | 1.1° | 0.1° |
| C13 | N29 | C30 | H26 | 178.9° | 179.9° |
| N29 | C13 | N14 | H31 | 7.1° | 175.1° |
| N12 | C11 | N10 | C09 | 15.2° | 5.3° |
| N12 | C11 | N10 | C31 | 178.4° | 179.9° |
| N12 | C11 | C31 | C30 | 1.8° | 0.1° |
| N12 | C11 | C31 | C32 | 179.0° | 179.9° |
| N12 | C11 | N10 | H30 | 164.8° | 174.6° |
| N29 | C30 | C31 | C11 | 1.9° | 0.1° |
| N29 | C30 | C31 | H26 | 180.0° | 179.9° |
| N29 | C30 | C31 | C32 | 179.1° | 179.9° |
| C09 | C36 | C37 | H27 | 180.0° | 180.0° |
| C36 | C09 | N10 | C11 | 158.3° | 32.8° |
| C36 | C09 | C08 | H18 | 179.2° | 180.0° |
| C09 | C36 | C37 | H28 | 179.9° | 180.0° |
| C36 | C09 | N10 | H30 | 21.8° | 147.2° |
| N10 | C09 | C36 | C37 | 179.2° | 180.0° |
| C09 | N10 | C11 | H30 | 180.0° | 179.9° |
| C09 | N10 | C11 | C31 | 166.5° | 174.8° |
| N10 | C09 | C08 | H18 | 0.7° | 0.0° |
| N10 | C09 | C36 | H27 | 0.8° | 0.0° |
| N10 | C11 | C31 | C30 | 179.9° | 180.0° |
| N10 | C11 | C31 | C32 | 2.7° | 0.0° |
| C11 | C31 | C30 | C32 | 177.2° | 179.9° |
| C11 | C31 | C32 | F33 | 55.8° | 59.9° |
| C11 | C31 | C32 | F34 | 174.3° | 180.0° |
| C11 | C31 | C32 | F35 | 61.8° | 60.0° |
| C11 | C31 | C30 | H26 | 178.1° | 180.0° |
| C31 | C11 | N10 | H30 | 13.5° | 5.3° |
| C30 | C31 | C32 | F33 | 121.3° | 120.0° |
| C30 | C31 | C32 | F34 | 2.8° | 0.0° |
| C30 | C31 | C32 | F35 | 121.1° | 120.0° |
| C31 | C32 | F33 | F34 | 121.0° | 120.0° |
| C31 | C32 | F33 | F35 | 121.5° | 119.9° |
| C31 | C32 | F34 | F35 | 125.0° | 120.0° |
| C32 | C31 | C30 | H26 | 0.9° | 0.1° |
| F33 | C32 | F34 | F35 | 114.7° | 120.0° |
| H1 | C17 | C16 | H19 | 0.8° | 0.1° |
| H2 | C20 | C21 | H4 | 41.8° | 179.2° |
| H2 | C20 | C21 | H5 | 77.7° | 59.2° |
| H2 | C20 | C19 | H20 | 127.1° | 177.7° |
| H3 | C20 | C21 | H4 | 160.6° | 59.1° |
| H3 | C20 | C21 | H5 | 41.2° | 60.9° |
| H3 | C20 | C19 | H20 | 8.3° | 57.6° |
| H6 | C24 | C25 | H24 | 25.7° | 60.8° |
| H6 | C24 | C25 | H25 | 144.1° | 59.2° |
| H7 | C24 | C25 | H24 | 93.0° | 59.2° |
| H7 | C24 | C25 | H25 | 25.4° | 179.2° |
| H9 | C01 | H10 | H11 | 119.9° | 120.0° |
| H12 | C03 | H13 | H14 | 120.0° | 120.1° |
| H15 | C04 | H16 | H17 | 120.0° | 120.0° |
| H20 | C19 | C25 | H24 | 42.3° | 57.7° |
| H20 | C19 | C25 | H25 | 160.7° | 177.8° |
| H21 | C23 | H22 | H23 | 120.0° | 120.1° |
| H27 | C36 | C37 | H28 | 0.1° | 0.0° |
