A1BW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C05 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| N08 | C07 | sing | 1.46Å | 1.45Å | |
| N09 | N08 | sing | 1.29Å | 1.37Å | Aromatic |
| N10 | N09 | doub | 1.29Å | 1.37Å | Aromatic |
| C11 | N10 | sing | 1.33Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.50Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.50Å | 1.54Å | |
| C16 | C15 | doub | 1.40Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N20 | C19 | sing | 1.46Å | 1.46Å | |
| C21 | N20 | sing | 1.35Å | 1.34Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| N23 | C21 | doub | 1.31Å | 1.34Å | Aromatic |
| C24 | N23 | sing | 1.34Å | 1.32Å | Aromatic |
| C25 | C24 | doub | 1.35Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C26 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.48Å | 1.53Å | |
| C29 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| N30 | C29 | sing | 1.35Å | 1.32Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | N30 | sing | 1.46Å | 1.45Å | |
| N33 | N30 | sing | 1.40Å | 1.36Å | Aromatic |
| C34 | N33 | doub | 1.31Å | 1.32Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.52Å | |
| F36 | C35 | sing | 1.40Å | 1.36Å | |
| F37 | C35 | sing | 1.40Å | 1.36Å | |
| F38 | C35 | sing | 1.40Å | 1.36Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C39 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| N08 | C12 | sing | 1.34Å | 1.35Å | Aromatic |
| C11 | C16 | sing | 1.48Å | 1.41Å | |
| C15 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| N20 | C25 | sing | 1.37Å | 1.31Å | Aromatic |
| C28 | C34 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 120.0° | 120.0° |
| F01 | C02 | C40 | 119.4° | 120.1° |
| C02 | C03 | C04 | 119.5° | 120.0° |
| C02 | C03 | C05 | 119.0° | 120.0° |
| C03 | C02 | C40 | 120.6° | 119.9° |
| C04 | C03 | C05 | 121.5° | 120.0° |
| C03 | C04 | H2 | 109.5° | 109.5° |
| C03 | C04 | H3 | 109.4° | 109.4° |
| C03 | C04 | H1 | 109.5° | 109.5° |
| C03 | C05 | C06 | 120.6° | 120.0° |
| C03 | C05 | H4 | 119.7° | 120.0° |
| C05 | C06 | C07 | 121.4° | 120.0° |
| C05 | C06 | C39 | 119.8° | 120.0° |
| C06 | C05 | H4 | 119.7° | 119.9° |
| C07 | N08 | N09 | 124.7° | 125.9° |
| N08 | C07 | C06 | 105.2° | 109.5° |
| C07 | N08 | C12 | 126.5° | 125.9° |
| N08 | C07 | H5 | 110.5° | 109.5° |
| N08 | C07 | H6 | 110.5° | 109.5° |
| N08 | N09 | N10 | 107.2° | 110.5° |
| N09 | N08 | C12 | 108.8° | 108.2° |
| N09 | N10 | C11 | 108.7° | 108.5° |
| N10 | C11 | C12 | 107.3° | 106.5° |
| N10 | C11 | C16 | 131.8° | 133.2° |
| C11 | C12 | C13 | 120.1° | 122.1° |
| C11 | C12 | N08 | 107.9° | 106.1° |
| C12 | C11 | C16 | 120.7° | 120.3° |
| C12 | C13 | C14 | 109.5° | 109.7° |
| C13 | C12 | N08 | 132.0° | 131.8° |
| C12 | C13 | H8 | 109.5° | 109.4° |
| C12 | C13 | H7 | 109.5° | 109.4° |
| C13 | C14 | C15 | 110.5° | 112.6° |
| C14 | C13 | H8 | 109.5° | 109.4° |
| C14 | C13 | H7 | 109.5° | 109.4° |
| C13 | C14 | H10 | 109.2° | 108.9° |
| C13 | C14 | H9 | 109.2° | 108.9° |
| C14 | C15 | C16 | 120.8° | 121.1° |
| C14 | C15 | C27 | 118.8° | 120.0° |
| C15 | C14 | H10 | 109.2° | 108.8° |
| C15 | C14 | H9 | 109.2° | 108.8° |
| C15 | C16 | C17 | 120.0° | 120.7° |
| C15 | C16 | C11 | 121.4° | 117.2° |
| C16 | C15 | C27 | 120.4° | 118.9° |
| C16 | C17 | C18 | 119.9° | 119.9° |
| C17 | C16 | C11 | 118.4° | 122.0° |
| C16 | C17 | H11 | 120.1° | 120.0° |
| C17 | C18 | C19 | 118.0° | 120.0° |
| C17 | C18 | C26 | 120.2° | 120.0° |
| C18 | C17 | H11 | 120.0° | 120.2° |
| C19 | N20 | C21 | 127.1° | 126.4° |
| N20 | C19 | C18 | 108.1° | 109.5° |
| C19 | N20 | C25 | 124.5° | 126.5° |
| N20 | C19 | H12 | 109.8° | 109.5° |
| N20 | C19 | H13 | 109.8° | 109.4° |
| N20 | C21 | C22 | 127.3° | 125.6° |
| N20 | C21 | N23 | 107.3° | 108.7° |
| C21 | N20 | C25 | 108.4° | 107.1° |
| C22 | C21 | N23 | 125.4° | 125.7° |
| C21 | C22 | H16 | 109.5° | 109.5° |
| C21 | C22 | H14 | 109.5° | 109.5° |
| C21 | C22 | H15 | 109.5° | 109.5° |
| C21 | N23 | C24 | 108.4° | 109.2° |
| N23 | C24 | C25 | 107.5° | 108.0° |
| N23 | C24 | H17 | 126.2° | 126.0° |
| C24 | C25 | N20 | 108.3° | 106.9° |
| C25 | C24 | H17 | 126.3° | 126.0° |
| C24 | C25 | H18 | 125.9° | 126.5° |
| C19 | C18 | C26 | 121.8° | 120.0° |
| C18 | C19 | H12 | 109.8° | 109.5° |
| C18 | C19 | H13 | 109.8° | 109.5° |
| C18 | C26 | C27 | 119.4° | 120.5° |
| C18 | C26 | H19 | 120.3° | 119.8° |
| C26 | C27 | C28 | 121.1° | 120.0° |
| C26 | C27 | C15 | 120.0° | 120.0° |
| C27 | C26 | H19 | 120.3° | 119.8° |
| C27 | C28 | C29 | 129.3° | 126.2° |
| C28 | C27 | C15 | 118.9° | 120.0° |
| C27 | C28 | C34 | 123.3° | 126.2° |
| C28 | C29 | N30 | 106.6° | 107.6° |
| C29 | C28 | C34 | 107.3° | 107.5° |
| C28 | C29 | H20 | 126.7° | 126.2° |
| C29 | N30 | C31 | 128.6° | 125.9° |
| C29 | N30 | N33 | 110.4° | 108.2° |
| N30 | C29 | H20 | 126.7° | 126.2° |
| C32 | C31 | N30 | 113.6° | 109.5° |
| C32 | C31 | H22 | 108.4° | 109.5° |
| C32 | C31 | H21 | 108.4° | 109.5° |
| C31 | C32 | H25 | 109.5° | 109.5° |
| C31 | C32 | H23 | 109.5° | 109.5° |
| C31 | C32 | H24 | 109.4° | 109.4° |
| C31 | N30 | N33 | 121.0° | 125.9° |
| N30 | C31 | H22 | 108.4° | 109.5° |
| N30 | C31 | H21 | 108.4° | 109.5° |
| N30 | N33 | C34 | 108.0° | 108.5° |
| N33 | C34 | C35 | 124.4° | 126.0° |
| N33 | C34 | C28 | 107.7° | 108.1° |
| C34 | C35 | F36 | 108.4° | 109.5° |
| C34 | C35 | F37 | 108.5° | 109.5° |
| C34 | C35 | F38 | 112.7° | 109.5° |
| C35 | C34 | C28 | 128.0° | 125.9° |
| F36 | C35 | F37 | 112.1° | 109.4° |
| F36 | C35 | F38 | 106.2° | 109.4° |
| F37 | C35 | F38 | 109.0° | 109.5° |
| C07 | C06 | C39 | 118.8° | 120.0° |
| C06 | C07 | H5 | 110.5° | 109.5° |
| C06 | C07 | H6 | 110.5° | 109.5° |
| C06 | C39 | C40 | 119.8° | 120.0° |
| C06 | C39 | H26 | 120.1° | 120.0° |
| C39 | C40 | C02 | 120.3° | 120.0° |
| C40 | C39 | H26 | 120.1° | 120.0° |
| C39 | C40 | H27 | 119.9° | 120.0° |
| C02 | C40 | H27 | 119.9° | 120.0° |
| N20 | C25 | H18 | 125.8° | 126.6° |
| H8 | C13 | H7 | 109.5° | 109.5° |
| H10 | C14 | H9 | 109.5° | 108.9° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H2 | C04 | H1 | 109.5° | 109.5° |
| H3 | C04 | H1 | 109.5° | 109.4° |
| H5 | C07 | H6 | 109.4° | 109.5° |
| H16 | C22 | H14 | 109.4° | 109.4° |
| H16 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H22 | C31 | H21 | 109.5° | 109.4° |
| H25 | C32 | H23 | 109.5° | 109.5° |
| H25 | C32 | H24 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C40 | 179.9° | 179.7° |
| F01 | C02 | C03 | C04 | 0.4° | 0.0° |
| F01 | C02 | C03 | C05 | 179.7° | 180.0° |
| F01 | C02 | C40 | C39 | 179.4° | 179.7° |
| F01 | C02 | C40 | H27 | 0.6° | 0.1° |
| C02 | C03 | C04 | C05 | 179.9° | 179.9° |
| C02 | C03 | C05 | C06 | 0.1° | 0.0° |
| C03 | C02 | C40 | C39 | 0.5° | 0.6° |
| C02 | C03 | C04 | H2 | 90.0° | 90.0° |
| C02 | C03 | C04 | H3 | 150.0° | 150.0° |
| C02 | C03 | C04 | H1 | 30.0° | 30.1° |
| C02 | C03 | C05 | H4 | 179.9° | 180.0° |
| C03 | C02 | C40 | H27 | 179.5° | 179.8° |
| C04 | C03 | C05 | C06 | 180.0° | 180.0° |
| C04 | C03 | C02 | C40 | 179.7° | 179.7° |
| C03 | C04 | H2 | H3 | 120.0° | 120.0° |
| C03 | C04 | H2 | H1 | 120.0° | 120.1° |
| C03 | C04 | H3 | H1 | 120.0° | 119.9° |
| C04 | C03 | C05 | H4 | 0.0° | 0.1° |
| C03 | C05 | C06 | H4 | 180.0° | 179.9° |
| C03 | C05 | C06 | C07 | 179.9° | 180.0° |
| C03 | C05 | C06 | C39 | 0.2° | 0.0° |
| C05 | C03 | C02 | C40 | 0.2° | 0.3° |
| C05 | C03 | C04 | H2 | 89.9° | 89.9° |
| C05 | C03 | C04 | H3 | 30.1° | 30.1° |
| C05 | C03 | C04 | H1 | 150.1° | 150.0° |
| C05 | C06 | C07 | N08 | 19.1° | 90.0° |
| C05 | C06 | C07 | C39 | 179.7° | 180.0° |
| C05 | C06 | C39 | C40 | 0.0° | 0.3° |
| C05 | C06 | C07 | H5 | 138.4° | 150.0° |
| C05 | C06 | C07 | H6 | 100.3° | 30.0° |
| C05 | C06 | C39 | H26 | 180.0° | 180.0° |
| C07 | N08 | N09 | C12 | 178.5° | 179.9° |
| C07 | N08 | N09 | N10 | 178.5° | 179.7° |
| C07 | N08 | C12 | C11 | 179.6° | 179.2° |
| C07 | N08 | C12 | C13 | 0.8° | 0.9° |
| N08 | C07 | C06 | H5 | 119.4° | 120.0° |
| N08 | C07 | C06 | H6 | 119.3° | 120.0° |
| N08 | C07 | C06 | C39 | 161.2° | 90.0° |
| N08 | C07 | H5 | H6 | 121.9° | 120.0° |
| N08 | N09 | N10 | C11 | 1.2° | 0.3° |
| N09 | N08 | C12 | C11 | 1.1° | 0.8° |
| N09 | N08 | C12 | C13 | 179.3° | 179.0° |
| N09 | N08 | C07 | C06 | 69.8° | 90.0° |
| N09 | N08 | C07 | H5 | 49.6° | 150.0° |
| N09 | N08 | C07 | H6 | 170.9° | 30.0° |
| N09 | N10 | C11 | C12 | 1.9° | 0.8° |
| N10 | N09 | N08 | C12 | 0.1° | 0.4° |
| N09 | N10 | C11 | C16 | 176.6° | 179.6° |
| N10 | C11 | C12 | C16 | 175.4° | 179.1° |
| N10 | C11 | C12 | C13 | 178.5° | 178.9° |
| N10 | C11 | C16 | C15 | 168.6° | 165.1° |
| N10 | C11 | C16 | C17 | 16.2° | 15.2° |
| N10 | C11 | C12 | N08 | 1.8° | 1.0° |
| C11 | C12 | C13 | N08 | 179.6° | 179.8° |
| C11 | C12 | C13 | C14 | 28.5° | 31.6° |
| C12 | C11 | C16 | C15 | 17.3° | 16.1° |
| C12 | C11 | C16 | C17 | 157.9° | 163.6° |
| C11 | C12 | C13 | H8 | 91.4° | 88.5° |
| C11 | C12 | C13 | H7 | 148.5° | 151.6° |
| C12 | C13 | C14 | H8 | 120.0° | 120.0° |
| C12 | C13 | C14 | H7 | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 44.9° | 46.3° |
| C13 | C12 | C11 | C16 | 3.1° | 0.2° |
| C12 | C13 | H8 | H7 | 120.0° | 120.0° |
| C12 | C13 | C14 | H10 | 165.1° | 167.0° |
| C12 | C13 | C14 | H9 | 75.2° | 74.4° |
| C13 | C14 | C15 | H10 | 120.2° | 120.8° |
| C13 | C14 | C15 | H9 | 120.1° | 120.8° |
| C13 | C14 | C15 | C16 | 36.1° | 34.2° |
| C14 | C13 | C12 | N08 | 151.0° | 148.6° |
| C13 | C14 | C15 | C27 | 145.3° | 146.1° |
| C14 | C13 | H8 | H7 | 120.0° | 119.8° |
| C13 | C14 | H10 | H9 | 119.5° | 118.6° |
| C14 | C15 | C16 | C27 | 178.6° | 179.7° |
| C14 | C15 | C16 | C17 | 179.1° | 178.1° |
| C14 | C15 | C27 | C26 | 179.5° | 178.8° |
| C14 | C15 | C27 | C28 | 1.3° | 1.3° |
| C14 | C15 | C16 | C11 | 4.0° | 2.1° |
| C15 | C14 | C13 | H8 | 75.1° | 73.8° |
| C15 | C14 | C13 | H7 | 164.9° | 166.3° |
| C15 | C14 | H10 | H9 | 119.5° | 118.4° |
| C15 | C16 | C17 | C11 | 175.3° | 179.7° |
| C15 | C16 | C17 | C18 | 2.4° | 1.0° |
| C16 | C15 | C27 | C26 | 0.8° | 0.9° |
| C16 | C15 | C27 | C28 | 177.4° | 179.0° |
| C16 | C15 | C14 | H10 | 156.3° | 155.0° |
| C16 | C15 | C14 | H9 | 84.0° | 86.6° |
| C15 | C16 | C17 | H11 | 177.6° | 178.9° |
| C16 | C17 | C18 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C16 | C17 | C18 | C26 | 1.0° | 0.1° |
| C17 | C16 | C15 | C27 | 2.3° | 1.5° |
| C17 | C18 | C19 | N20 | 89.3° | 94.0° |
| C17 | C18 | C19 | C26 | 179.4° | 179.9° |
| C17 | C18 | C26 | C27 | 0.4° | 0.7° |
| C18 | C17 | C16 | C11 | 177.7° | 178.7° |
| C17 | C18 | C19 | H12 | 30.4° | 146.0° |
| C17 | C18 | C19 | H13 | 150.9° | 26.0° |
| C17 | C18 | C26 | H19 | 179.5° | 179.4° |
| C19 | N20 | C21 | C25 | 179.6° | 180.0° |
| C19 | N20 | C21 | C22 | 0.6° | 0.0° |
| C19 | N20 | C21 | N23 | 179.2° | 179.8° |
| C19 | N20 | C25 | C24 | 179.3° | 179.7° |
| N20 | C19 | C18 | H12 | 119.8° | 120.0° |
| N20 | C19 | C18 | H13 | 119.8° | 120.0° |
| N20 | C19 | C18 | C26 | 90.1° | 86.0° |
| N20 | C19 | H12 | H13 | 120.6° | 120.0° |
| C19 | N20 | C25 | H18 | 0.6° | 0.1° |
| N20 | C21 | C22 | N23 | 178.3° | 179.7° |
| N20 | C21 | N23 | C24 | 0.4° | 0.0° |
| C21 | N20 | C25 | C24 | 0.3° | 0.3° |
| C21 | N20 | C19 | C18 | 128.2° | 81.6° |
| C21 | N20 | C19 | H12 | 8.4° | 158.4° |
| C21 | N20 | C19 | H13 | 112.0° | 38.5° |
| N20 | C21 | C22 | H16 | 178.3° | 92.6° |
| N20 | C21 | C22 | H14 | 58.3° | 147.4° |
| N20 | C21 | C22 | H15 | 61.7° | 27.4° |
| C21 | N20 | C25 | H18 | 179.7° | 179.9° |
| C22 | C21 | N23 | C24 | 179.0° | 179.8° |
| C22 | C21 | N20 | C25 | 179.0° | 180.0° |
| C21 | C22 | H16 | H14 | 120.0° | 120.0° |
| C21 | C22 | H16 | H15 | 120.0° | 120.0° |
| C21 | C22 | H14 | H15 | 120.0° | 120.0° |
| C21 | N23 | C24 | C25 | 0.2° | 0.2° |
| N23 | C21 | N20 | C25 | 0.5° | 0.2° |
| N23 | C21 | C22 | H16 | 0.0° | 87.6° |
| N23 | C21 | C22 | H14 | 120.0° | 32.4° |
| N23 | C21 | C22 | H15 | 120.0° | 152.4° |
| C21 | N23 | C24 | H17 | 179.8° | 180.0° |
| N23 | C24 | C25 | H17 | 180.0° | 179.8° |
| N23 | C24 | C25 | N20 | 0.1° | 0.3° |
| N23 | C24 | C25 | H18 | 180.0° | 179.9° |
| C24 | C25 | N20 | H18 | 180.0° | 179.7° |
| C19 | C18 | C26 | C27 | 178.9° | 179.3° |
| C18 | C19 | N20 | C25 | 52.2° | 98.5° |
| C19 | C18 | C17 | H11 | 0.4° | 0.0° |
| C18 | C19 | H12 | H13 | 120.6° | 120.0° |
| C19 | C18 | C26 | H19 | 1.1° | 0.6° |
| C18 | C26 | C27 | H19 | 180.0° | 179.9° |
| C18 | C26 | C27 | C28 | 178.7° | 179.9° |
| C18 | C26 | C27 | C15 | 0.6° | 0.2° |
| C26 | C18 | C17 | H11 | 179.0° | 180.0° |
| C26 | C18 | C19 | H12 | 150.2° | 34.0° |
| C26 | C18 | C19 | H13 | 29.7° | 154.0° |
| C26 | C27 | C28 | C15 | 178.2° | 179.9° |
| C26 | C27 | C28 | C29 | 90.3° | 67.3° |
| C26 | C27 | C28 | C34 | 89.8° | 112.3° |
| C27 | C28 | C29 | C34 | 179.9° | 179.7° |
| C27 | C28 | C29 | N30 | 179.8° | 180.0° |
| C27 | C28 | C34 | N33 | 179.8° | 180.0° |
| C27 | C28 | C34 | C35 | 0.6° | 0.1° |
| C28 | C27 | C26 | H19 | 1.2° | 0.1° |
| C27 | C28 | C29 | H20 | 0.2° | 0.0° |
| C28 | C29 | N30 | H20 | 180.0° | 180.0° |
| C28 | C29 | N30 | C31 | 179.9° | 179.9° |
| C28 | C29 | N30 | N33 | 0.2° | 0.2° |
| C29 | C28 | C34 | N33 | 0.2° | 0.3° |
| C29 | C28 | C34 | C35 | 179.3° | 179.8° |
| C29 | C28 | C27 | C15 | 91.6° | 112.7° |
| C29 | N30 | C31 | C32 | 18.7° | 125.0° |
| C29 | N30 | C31 | N33 | 179.7° | 179.7° |
| C29 | N30 | N33 | C34 | 0.0° | 0.0° |
| N30 | C29 | C28 | C34 | 0.2° | 0.3° |
| C29 | N30 | C31 | H22 | 101.9° | 4.9° |
| C29 | N30 | C31 | H21 | 139.4° | 115.0° |
| C32 | C31 | N30 | H22 | 120.6° | 120.0° |
| C32 | C31 | N30 | H21 | 120.6° | 120.0° |
| C32 | C31 | N30 | N33 | 160.9° | 54.7° |
| C32 | C31 | H22 | H21 | 118.1° | 120.0° |
| C31 | C32 | H25 | H23 | 120.0° | 120.1° |
| C31 | C32 | H25 | H24 | 120.0° | 119.9° |
| C31 | C32 | H23 | H24 | 120.0° | 119.9° |
| C31 | N30 | N33 | C34 | 179.8° | 179.7° |
| C31 | N30 | C29 | H20 | 0.1° | 0.1° |
| N30 | C31 | H22 | H21 | 118.1° | 120.0° |
| N30 | C31 | C32 | H25 | 180.0° | 180.0° |
| N30 | C31 | C32 | H23 | 60.0° | 60.0° |
| N30 | C31 | C32 | H24 | 60.0° | 60.0° |
| N30 | N33 | C34 | C35 | 179.4° | 179.9° |
| N30 | N33 | C34 | C28 | 0.1° | 0.2° |
| N33 | N30 | C29 | H20 | 179.8° | 179.9° |
| N33 | N30 | C31 | H22 | 78.5° | 174.8° |
| N33 | N30 | C31 | H21 | 40.3° | 65.3° |
| N33 | C34 | C35 | C28 | 179.5° | 179.9° |
| N33 | C34 | C35 | F36 | 24.9° | 68.6° |
| N33 | C34 | C35 | F37 | 97.1° | 51.4° |
| N33 | C34 | C35 | F38 | 142.1° | 171.4° |
| C34 | C35 | F36 | F37 | 119.8° | 120.0° |
| C34 | C35 | F36 | F38 | 121.3° | 120.0° |
| C34 | C35 | F37 | F38 | 123.1° | 120.0° |
| F36 | C35 | F37 | F38 | 117.2° | 120.0° |
| F36 | C35 | C34 | C28 | 154.6° | 111.3° |
| F37 | C35 | C34 | C28 | 83.4° | 128.8° |
| F38 | C35 | C34 | C28 | 37.4° | 8.7° |
| C07 | C06 | C39 | C40 | 179.7° | 179.7° |
| C06 | C07 | N08 | C12 | 108.5° | 90.0° |
| C07 | C06 | C05 | H4 | 0.1° | 0.0° |
| C06 | C07 | H5 | H6 | 122.0° | 120.0° |
| C07 | C06 | C39 | H26 | 0.3° | 0.1° |
| C06 | C39 | C40 | H26 | 180.0° | 179.7° |
| C06 | C39 | C40 | C02 | 0.4° | 0.6° |
| C39 | C06 | C05 | H4 | 179.8° | 179.9° |
| C39 | C06 | C07 | H5 | 41.9° | 30.0° |
| C39 | C06 | C07 | H6 | 79.4° | 150.0° |
| C06 | C39 | C40 | H27 | 179.6° | 179.7° |
| C39 | C40 | C02 | H27 | 180.0° | 179.7° |
| C02 | C40 | C39 | H26 | 179.6° | 179.7° |
| N08 | C12 | C11 | C16 | 177.3° | 180.0° |
| N08 | C12 | C13 | H8 | 89.0° | 91.3° |
| N08 | C12 | C13 | H7 | 31.0° | 28.7° |
| C12 | N08 | C07 | H5 | 132.2° | 30.0° |
| C12 | N08 | C07 | H6 | 10.9° | 150.0° |
| C11 | C16 | C15 | C27 | 177.4° | 178.2° |
| C11 | C16 | C17 | H11 | 2.3° | 1.4° |
| C15 | C27 | C28 | C34 | 88.4° | 67.6° |
| C27 | C15 | C14 | H10 | 25.1° | 25.4° |
| C27 | C15 | C14 | H9 | 94.6° | 93.1° |
| C15 | C27 | C26 | H19 | 179.4° | 179.9° |
| C25 | N20 | C19 | H12 | 172.0° | 21.5° |
| C25 | N20 | C19 | H13 | 67.5° | 141.5° |
| N20 | C25 | C24 | H17 | 179.9° | 179.9° |
| C34 | C28 | C29 | H20 | 179.8° | 179.7° |
| H8 | C13 | C14 | H10 | 45.1° | 47.0° |
| H8 | C13 | C14 | H9 | 164.8° | 165.5° |
| H7 | C13 | C14 | H10 | 74.9° | 73.0° |
| H7 | C13 | C14 | H9 | 44.8° | 45.6° |
| H2 | C04 | H3 | H1 | 120.0° | 120.0° |
| H16 | C22 | H14 | H15 | 120.0° | 119.9° |
| H17 | C24 | C25 | H18 | 0.1° | 0.2° |
| H22 | C31 | C32 | H25 | 59.4° | 60.0° |
| H22 | C31 | C32 | H23 | 60.6° | 60.1° |
| H22 | C31 | C32 | H24 | 179.4° | 180.0° |
| H21 | C31 | C32 | H25 | 59.4° | 59.9° |
| H21 | C31 | C32 | H23 | 179.4° | 180.0° |
| H21 | C31 | C32 | H24 | 60.6° | 60.0° |
| H25 | C32 | H23 | H24 | 120.0° | 120.0° |
| H26 | C39 | C40 | H27 | 0.4° | 0.1° |
