KGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N04 | C03 | doub | 1.31Å | 1.34Å | Aromatic |
| N04 | N05 | sing | 1.39Å | 1.34Å | Aromatic |
| C06 | N05 | sing | 1.49Å | 1.44Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.40Å | 1.41Å | Aromatic |
| N05 | C01 | sing | 1.34Å | 1.32Å | Aromatic |
| C08 | C07 | sing | 1.53Å | 1.58Å | |
| C08 | C09 | sing | 1.53Å | 1.57Å | |
| C02 | C01 | doub | 1.38Å | 1.44Å | Aromatic |
| C02 | C36 | sing | 1.48Å | 1.55Å | |
| C09 | N10 | sing | 1.49Å | 1.44Å | |
| C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | N34 | doub | 1.32Å | 1.32Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.40Å | Aromatic |
| O13 | C11 | doub | 1.22Å | 1.17Å | |
| N10 | C11 | sing | 1.37Å | 1.45Å | |
| N34 | C31 | sing | 1.34Å | 1.36Å | Aromatic |
| C37 | C32 | sing | 1.40Å | 1.45Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.52Å | |
| C31 | C32 | doub | 1.42Å | 1.37Å | Aromatic |
| C31 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.37Å | 1.38Å | Aromatic |
| C33 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| F41 | C38 | sing | 1.40Å | 1.34Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C38 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | doub | 1.37Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| F39 | C38 | sing | 1.40Å | 1.35Å | |
| C38 | F40 | sing | 1.40Å | 1.35Å | |
| C16 | C15 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| N24 | C19 | doub | 1.32Å | 1.33Å | |
| N24 | N23 | sing | 1.28Å | 1.31Å | |
| C26 | N23 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | sing | 1.40Å | 1.41Å | |
| N23 | C22 | sing | 1.35Å | 1.32Å | |
| C20 | C21 | doub | 1.37Å | 1.42Å | |
| C22 | C21 | sing | 1.41Å | 1.41Å | |
| C22 | O25 | doub | 1.22Å | 1.16Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| N10 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | N04 | N05 | 110.1° | 108.1° |
| N04 | C03 | C02 | 106.7° | 108.6° |
| N04 | C03 | H8 | 126.7° | 125.7° |
| N04 | N05 | C06 | 124.9° | 128.1° |
| N04 | N05 | C01 | 111.2° | 108.8° |
| N05 | C06 | C07 | 108.7° | 108.1° |
| C06 | N05 | C01 | 123.9° | 123.1° |
| N05 | C06 | H9 | 109.7° | 109.6° |
| N05 | C06 | H10 | 109.7° | 109.6° |
| C06 | C07 | C08 | 111.8° | 110.4° |
| C07 | C06 | H9 | 109.7° | 109.7° |
| C07 | C06 | H10 | 109.6° | 110.0° |
| C06 | C07 | H11 | 108.9° | 109.3° |
| C06 | C07 | H12 | 108.9° | 109.3° |
| C03 | C02 | C01 | 105.9° | 107.2° |
| C03 | C02 | C36 | 126.7° | 132.2° |
| C02 | C03 | H8 | 126.7° | 125.7° |
| N05 | C01 | C02 | 106.1° | 107.2° |
| N05 | C01 | H7 | 126.9° | 126.4° |
| C07 | C08 | C09 | 110.2° | 110.5° |
| C08 | C07 | H11 | 108.9° | 109.3° |
| C08 | C07 | H12 | 108.9° | 109.3° |
| C07 | C08 | H13 | 109.3° | 109.3° |
| C07 | C08 | H14 | 109.3° | 109.2° |
| C08 | C09 | N10 | 107.4° | 109.8° |
| C09 | C08 | H13 | 109.3° | 109.3° |
| C09 | C08 | H14 | 109.3° | 109.2° |
| C08 | C09 | H15 | 110.0° | 109.4° |
| C08 | C09 | H16 | 110.0° | 109.4° |
| C01 | C02 | C36 | 127.3° | 120.6° |
| C02 | C01 | H7 | 126.9° | 126.3° |
| C02 | C36 | C35 | 117.0° | 125.2° |
| C02 | C36 | C37 | 122.5° | 115.2° |
| C09 | N10 | C11 | 120.3° | 117.7° |
| N10 | C09 | H15 | 110.0° | 109.4° |
| N10 | C09 | H16 | 110.0° | 109.4° |
| C09 | N10 | H25 | 119.8° | 121.2° |
| C36 | C35 | N34 | 120.5° | 121.5° |
| C35 | C36 | C37 | 120.5° | 119.6° |
| C36 | C35 | H23 | 119.7° | 119.3° |
| C35 | N34 | C31 | 122.3° | 121.4° |
| N34 | C35 | H23 | 119.8° | 119.3° |
| C36 | C37 | C32 | 116.3° | 118.2° |
| C36 | C37 | H24 | 121.8° | 120.9° |
| O13 | C11 | N10 | 120.6° | 120.1° |
| O13 | C11 | C12 | 121.3° | 120.0° |
| N10 | C11 | C12 | 118.0° | 119.9° |
| C11 | N10 | H25 | 119.8° | 121.1° |
| N34 | C31 | C32 | 120.1° | 120.3° |
| N34 | C31 | C30 | 118.6° | 121.6° |
| C37 | C32 | C31 | 120.2° | 119.0° |
| C37 | C32 | C33 | 120.6° | 120.6° |
| C32 | C37 | H24 | 121.8° | 120.9° |
| C11 | C12 | C18 | 116.1° | 119.2° |
| C11 | C12 | C14 | 123.2° | 121.2° |
| C32 | C31 | C30 | 121.3° | 118.2° |
| C31 | C32 | C33 | 119.2° | 120.4° |
| C31 | C30 | C29 | 119.7° | 120.2° |
| C31 | C30 | H21 | 120.2° | 119.9° |
| C32 | C33 | C28 | 119.1° | 119.4° |
| C32 | C33 | H22 | 120.4° | 120.3° |
| C12 | C18 | C17 | 119.9° | 119.5° |
| C18 | C12 | C14 | 120.7° | 119.6° |
| C12 | C18 | H17 | 120.0° | 120.3° |
| C18 | C17 | C16 | 119.5° | 120.2° |
| C18 | C17 | H2 | 120.2° | 119.9° |
| C17 | C18 | H17 | 120.0° | 120.2° |
| C12 | C14 | C38 | 122.4° | 119.7° |
| C12 | C14 | C15 | 119.1° | 120.6° |
| C30 | C29 | C28 | 119.5° | 120.9° |
| C30 | C29 | H20 | 120.2° | 119.5° |
| C29 | C30 | H21 | 120.2° | 119.9° |
| C33 | C28 | C29 | 121.2° | 120.8° |
| C33 | C28 | C27 | 122.3° | 117.5° |
| C28 | C33 | H22 | 120.5° | 120.3° |
| C17 | C16 | C15 | 121.2° | 120.4° |
| C17 | C16 | C19 | 116.7° | 121.7° |
| C16 | C17 | H2 | 120.2° | 119.9° |
| F41 | C38 | C14 | 110.2° | 109.4° |
| F41 | C38 | F39 | 108.4° | 109.5° |
| F41 | C38 | F40 | 108.7° | 109.5° |
| C29 | C28 | C27 | 116.5° | 121.6° |
| C28 | C29 | H20 | 120.2° | 119.6° |
| C38 | C14 | C15 | 118.5° | 119.7° |
| C14 | C38 | F39 | 110.7° | 109.5° |
| C14 | C38 | F40 | 108.8° | 109.4° |
| C14 | C15 | C16 | 119.5° | 119.4° |
| C14 | C15 | H1 | 120.2° | 120.3° |
| C28 | C27 | C26 | 116.9° | 109.1° |
| C28 | C27 | H18 | 107.6° | 109.6° |
| C28 | C27 | H19 | 107.6° | 109.6° |
| F39 | C38 | F40 | 109.9° | 109.5° |
| C15 | C16 | C19 | 122.1° | 117.6° |
| C16 | C15 | H1 | 120.2° | 120.3° |
| C16 | C19 | N24 | 115.0° | 116.1° |
| C16 | C19 | C20 | 124.2° | 123.3° |
| C27 | C26 | N23 | 117.2° | 112.7° |
| C27 | C26 | H5 | 107.5° | 108.8° |
| C27 | C26 | H6 | 107.5° | 108.8° |
| C26 | C27 | H18 | 107.6° | 109.5° |
| C26 | C27 | H19 | 107.6° | 109.5° |
| C19 | N24 | N23 | 122.8° | 121.6° |
| N24 | C19 | C20 | 120.8° | 120.6° |
| N24 | N23 | C26 | 114.4° | 119.5° |
| N24 | N23 | C22 | 121.8° | 121.5° |
| C26 | N23 | C22 | 123.8° | 119.0° |
| N23 | C26 | H5 | 107.5° | 108.8° |
| N23 | C26 | H6 | 107.5° | 108.9° |
| C19 | C20 | C21 | 115.4° | 118.4° |
| C19 | C20 | H3 | 122.3° | 120.8° |
| N23 | C22 | C21 | 119.4° | 119.5° |
| N23 | C22 | O25 | 121.5° | 120.3° |
| C20 | C21 | C22 | 119.8° | 117.6° |
| C21 | C20 | H3 | 122.3° | 120.8° |
| C20 | C21 | H4 | 120.1° | 121.1° |
| C21 | C22 | O25 | 119.1° | 120.3° |
| C22 | C21 | H4 | 120.1° | 121.2° |
| H5 | C26 | H6 | 109.5° | 108.8° |
| H9 | C06 | H10 | 109.5° | 109.8° |
| H11 | C07 | H12 | 109.4° | 109.2° |
| H13 | C08 | H14 | 109.5° | 109.2° |
| H15 | C09 | H16 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | N04 | N05 | C06 | 180.0° | 179.0° |
| N04 | C03 | C02 | H8 | 180.0° | 180.0° |
| C03 | N04 | N05 | C01 | 0.4° | 0.3° |
| N04 | C03 | C02 | C01 | 1.7° | 0.6° |
| N04 | C03 | C02 | C36 | 177.9° | 178.9° |
| N04 | N05 | C06 | C01 | 179.5° | 179.2° |
| N04 | N05 | C06 | C07 | 118.4° | 154.1° |
| N05 | N04 | C03 | C02 | 0.9° | 0.2° |
| N04 | N05 | C01 | C02 | 1.5° | 0.6° |
| N04 | N05 | C01 | H7 | 178.5° | 179.3° |
| N05 | N04 | C03 | H8 | 179.2° | 179.9° |
| N04 | N05 | C06 | H9 | 121.7° | 86.4° |
| N04 | N05 | C06 | H10 | 1.4° | 34.2° |
| N05 | C06 | C07 | H9 | 119.9° | 119.4° |
| N05 | C06 | C07 | H10 | 119.9° | 119.7° |
| N05 | C06 | C07 | C08 | 179.5° | 127.3° |
| C06 | N05 | C01 | C02 | 179.0° | 178.7° |
| C06 | N05 | C01 | H7 | 1.0° | 1.3° |
| N05 | C06 | H9 | H10 | 120.4° | 120.5° |
| N05 | C06 | C07 | H11 | 60.2° | 7.0° |
| N05 | C06 | C07 | H12 | 59.1° | 112.5° |
| C07 | C06 | N05 | C01 | 61.0° | 25.1° |
| C06 | C07 | C08 | H11 | 120.4° | 120.3° |
| C06 | C07 | C08 | H12 | 120.4° | 120.2° |
| C06 | C07 | C08 | C09 | 103.8° | 168.9° |
| C07 | C06 | H9 | H10 | 120.3° | 121.0° |
| C06 | C07 | H11 | H12 | 118.9° | 119.5° |
| C06 | C07 | C08 | H13 | 16.3° | 70.7° |
| C06 | C07 | C08 | H14 | 136.1° | 48.7° |
| C03 | C02 | C01 | N05 | 2.0° | 0.7° |
| C03 | C02 | C01 | C36 | 176.1° | 179.5° |
| C03 | C02 | C36 | C35 | 7.6° | 1.3° |
| C03 | C02 | C36 | C37 | 174.0° | 178.0° |
| C03 | C02 | C01 | H7 | 178.1° | 179.2° |
| N05 | C01 | C02 | H7 | 180.0° | 180.0° |
| N05 | C01 | C02 | C36 | 178.1° | 178.8° |
| C01 | N05 | C06 | H9 | 58.9° | 94.4° |
| C01 | N05 | C06 | H10 | 179.1° | 145.0° |
| C07 | C08 | C09 | H13 | 120.1° | 120.3° |
| C07 | C08 | C09 | H14 | 120.1° | 120.2° |
| C07 | C08 | C09 | N10 | 24.7° | 145.0° |
| C08 | C07 | C06 | H9 | 59.6° | 7.8° |
| C08 | C07 | C06 | H10 | 60.6° | 113.0° |
| C08 | C07 | H11 | H12 | 118.9° | 119.5° |
| C07 | C08 | H13 | H14 | 119.7° | 119.4° |
| C07 | C08 | C09 | H15 | 94.9° | 94.9° |
| C07 | C08 | C09 | H16 | 144.4° | 24.9° |
| C08 | C09 | N10 | H15 | 119.7° | 120.1° |
| C08 | C09 | N10 | H16 | 119.6° | 120.1° |
| C08 | C09 | N10 | C11 | 150.9° | 139.1° |
| C09 | C08 | C07 | H11 | 135.8° | 48.6° |
| C09 | C08 | C07 | H12 | 16.6° | 70.8° |
| C09 | C08 | H13 | H14 | 119.6° | 119.5° |
| C08 | C09 | H15 | H16 | 121.0° | 119.8° |
| C08 | C09 | N10 | H25 | 29.1° | 41.0° |
| C01 | C02 | C36 | C35 | 167.8° | 178.1° |
| C01 | C02 | C36 | C37 | 10.7° | 2.6° |
| C01 | C02 | C03 | H8 | 178.3° | 179.5° |
| C02 | C36 | C35 | C37 | 178.5° | 179.3° |
| C02 | C36 | C35 | N34 | 178.7° | 179.7° |
| C02 | C36 | C37 | C32 | 178.8° | 178.9° |
| C36 | C02 | C01 | H7 | 1.9° | 1.2° |
| C36 | C02 | C03 | H8 | 2.1° | 1.1° |
| C02 | C36 | C35 | H23 | 1.3° | 0.1° |
| C02 | C36 | C37 | H24 | 1.2° | 1.1° |
| C09 | N10 | C11 | O13 | 0.8° | 167.1° |
| C09 | N10 | C11 | H25 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 179.1° | 12.8° |
| N10 | C09 | C08 | H13 | 144.9° | 24.6° |
| N10 | C09 | C08 | H14 | 95.4° | 94.8° |
| N10 | C09 | H15 | H16 | 121.0° | 119.8° |
| C36 | C35 | N34 | H23 | 180.0° | 179.8° |
| C36 | C35 | N34 | C31 | 0.5° | 0.7° |
| C35 | C36 | C37 | C32 | 0.4° | 1.7° |
| C35 | C36 | C37 | H24 | 179.6° | 178.2° |
| N34 | C35 | C36 | C37 | 0.2° | 1.0° |
| C35 | N34 | C31 | C32 | 0.9° | 1.5° |
| C35 | N34 | C31 | C30 | 179.5° | 177.4° |
| C36 | C37 | C32 | H24 | 180.0° | 179.9° |
| C36 | C37 | C32 | C31 | 0.9° | 0.9° |
| C36 | C37 | C32 | C33 | 179.9° | 179.0° |
| C37 | C36 | C35 | H23 | 179.8° | 179.2° |
| O13 | C11 | N10 | C12 | 178.3° | 179.9° |
| O13 | C11 | C12 | C18 | 98.3° | 147.9° |
| O13 | C11 | C12 | C14 | 82.3° | 29.8° |
| O13 | C11 | N10 | H25 | 179.2° | 12.9° |
| N10 | C11 | C12 | C18 | 80.0° | 32.2° |
| N10 | C11 | C12 | C14 | 99.4° | 150.1° |
| C11 | N10 | C09 | H15 | 31.3° | 18.9° |
| C11 | N10 | C09 | H16 | 89.4° | 100.9° |
| N34 | C31 | C32 | C37 | 1.1° | 0.6° |
| N34 | C31 | C32 | C30 | 179.5° | 178.9° |
| N34 | C31 | C32 | C33 | 179.8° | 179.5° |
| N34 | C31 | C30 | C29 | 179.3° | 179.7° |
| N34 | C31 | C30 | H21 | 0.7° | 0.2° |
| C31 | N34 | C35 | H23 | 179.5° | 179.1° |
| C37 | C32 | C31 | C33 | 179.0° | 179.9° |
| C37 | C32 | C31 | C30 | 179.3° | 178.2° |
| C37 | C32 | C33 | C28 | 179.4° | 179.7° |
| C37 | C32 | C33 | H22 | 0.6° | 0.4° |
| C11 | C12 | C18 | C14 | 179.4° | 177.7° |
| C11 | C12 | C18 | C17 | 179.9° | 178.2° |
| C11 | C12 | C14 | C38 | 0.6° | 2.4° |
| C11 | C12 | C14 | C15 | 179.7° | 177.5° |
| C11 | C12 | C18 | H17 | 0.1° | 2.1° |
| C12 | C11 | N10 | H25 | 0.9° | 167.2° |
| C32 | C31 | C30 | C29 | 0.3° | 0.9° |
| C31 | C32 | C33 | C28 | 0.4° | 0.2° |
| C32 | C31 | C30 | H21 | 179.8° | 179.1° |
| C31 | C32 | C33 | H22 | 179.6° | 179.7° |
| C31 | C32 | C37 | H24 | 179.1° | 179.0° |
| C30 | C31 | C32 | C33 | 0.3° | 1.7° |
| C31 | C30 | C29 | H21 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.7° | 1.4° |
| C31 | C30 | C29 | H20 | 179.3° | 178.6° |
| C32 | C33 | C28 | H22 | 180.0° | 179.9° |
| C32 | C33 | C28 | C29 | 0.0° | 2.1° |
| C32 | C33 | C28 | C27 | 179.8° | 179.6° |
| C33 | C32 | C37 | H24 | 0.1° | 1.1° |
| C12 | C18 | C17 | H17 | 180.0° | 179.8° |
| C12 | C18 | C17 | C16 | 0.8° | 0.8° |
| C18 | C12 | C14 | C38 | 180.0° | 175.2° |
| C18 | C12 | C14 | C15 | 0.3° | 4.8° |
| C12 | C18 | C17 | H2 | 179.2° | 179.2° |
| C17 | C18 | C12 | C14 | 0.5° | 4.1° |
| C18 | C17 | C16 | H2 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.9° | 5.0° |
| C18 | C17 | C16 | C19 | 179.5° | 168.5° |
| C12 | C14 | C38 | F41 | 50.3° | 60.0° |
| C12 | C14 | C38 | C15 | 179.7° | 179.9° |
| C12 | C14 | C38 | F39 | 69.7° | 60.0° |
| C12 | C14 | C38 | F40 | 169.4° | 180.0° |
| C12 | C14 | C15 | C16 | 0.4° | 0.6° |
| C12 | C14 | C15 | H1 | 179.6° | 179.7° |
| C14 | C12 | C18 | H17 | 179.4° | 175.7° |
| C30 | C29 | C28 | C33 | 0.6° | 3.0° |
| C30 | C29 | C28 | H20 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 179.2° | 178.8° |
| C33 | C28 | C29 | C27 | 179.8° | 178.2° |
| C33 | C28 | C27 | C26 | 2.6° | 53.8° |
| C33 | C28 | C27 | H18 | 123.6° | 66.1° |
| C33 | C28 | C27 | H19 | 118.5° | 173.6° |
| C33 | C28 | C29 | H20 | 179.4° | 177.1° |
| C17 | C16 | C15 | C14 | 0.7° | 4.3° |
| C17 | C16 | C15 | C19 | 178.5° | 173.8° |
| C17 | C16 | C19 | N24 | 26.7° | 54.9° |
| C17 | C16 | C19 | C20 | 153.9° | 125.8° |
| C17 | C16 | C15 | H1 | 179.3° | 175.4° |
| C16 | C17 | C18 | H17 | 179.2° | 179.4° |
| F41 | C38 | C14 | F39 | 120.0° | 120.0° |
| F41 | C38 | C14 | F40 | 119.1° | 120.0° |
| F41 | C38 | C14 | C15 | 129.4° | 120.0° |
| F41 | C38 | F39 | F40 | 118.7° | 120.1° |
| C29 | C28 | C27 | C26 | 177.2° | 128.0° |
| C29 | C28 | C27 | H18 | 56.2° | 112.2° |
| C29 | C28 | C27 | H19 | 61.7° | 8.1° |
| C28 | C29 | C30 | H21 | 179.3° | 178.7° |
| C29 | C28 | C33 | H22 | 179.9° | 178.0° |
| C14 | C38 | F39 | F40 | 120.2° | 120.0° |
| C38 | C14 | C15 | C16 | 179.9° | 179.4° |
| C38 | C14 | C15 | H1 | 0.1° | 0.3° |
| C15 | C14 | C38 | F39 | 110.6° | 120.0° |
| C15 | C14 | C38 | F40 | 10.3° | 0.1° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | C19 | 179.2° | 169.5° |
| C28 | C27 | C26 | H18 | 121.1° | 119.9° |
| C28 | C27 | C26 | H19 | 121.1° | 119.9° |
| C28 | C27 | C26 | N23 | 75.1° | 134.4° |
| C28 | C27 | C26 | H5 | 163.8° | 13.6° |
| C28 | C27 | C26 | H6 | 46.0° | 104.7° |
| C28 | C27 | H18 | H19 | 116.6° | 120.3° |
| C27 | C28 | C29 | H20 | 0.8° | 1.2° |
| C27 | C28 | C33 | H22 | 0.2° | 0.3° |
| C15 | C16 | C19 | N24 | 151.8° | 118.8° |
| C15 | C16 | C19 | C20 | 27.6° | 60.4° |
| C15 | C16 | C17 | H2 | 179.1° | 175.0° |
| C16 | C19 | N24 | C20 | 179.4° | 179.3° |
| C16 | C19 | N24 | N23 | 179.4° | 176.5° |
| C16 | C19 | C20 | C21 | 179.9° | 178.0° |
| C19 | C16 | C15 | H1 | 0.8° | 10.8° |
| C19 | C16 | C17 | H2 | 0.6° | 11.4° |
| C16 | C19 | C20 | H3 | 0.2° | 2.0° |
| C27 | C26 | N23 | N24 | 111.5° | 98.3° |
| C27 | C26 | N23 | H5 | 121.1° | 120.8° |
| C27 | C26 | N23 | H6 | 121.1° | 120.8° |
| C27 | C26 | N23 | C22 | 70.9° | 80.7° |
| C27 | C26 | H5 | H6 | 116.5° | 118.3° |
| C26 | C27 | H18 | H19 | 116.6° | 120.1° |
| C19 | N24 | N23 | C26 | 179.2° | 171.5° |
| C19 | N24 | N23 | C22 | 1.5° | 9.6° |
| N24 | C19 | C20 | C21 | 0.5° | 2.8° |
| N24 | C19 | C20 | H3 | 179.5° | 177.2° |
| N24 | N23 | C26 | C22 | 177.7° | 179.0° |
| N23 | N24 | C19 | C20 | 1.2° | 2.8° |
| N24 | N23 | C22 | C21 | 1.2° | 10.5° |
| N24 | N23 | C22 | O25 | 178.8° | 169.5° |
| N24 | N23 | C26 | H5 | 127.4° | 22.5° |
| N24 | N23 | C26 | H6 | 9.6° | 141.0° |
| C26 | N23 | C22 | C21 | 178.6° | 170.6° |
| C26 | N23 | C22 | O25 | 1.3° | 9.4° |
| N23 | C26 | H5 | H6 | 116.5° | 118.5° |
| N23 | C26 | C27 | H18 | 46.0° | 14.5° |
| N23 | C26 | C27 | H19 | 163.9° | 105.7° |
| C19 | C20 | C21 | H3 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 1.7° |
| C19 | C20 | C21 | H4 | 179.8° | 178.3° |
| N23 | C22 | C21 | C20 | 0.5° | 4.6° |
| N23 | C22 | C21 | O25 | 180.0° | 180.0° |
| N23 | C22 | C21 | H4 | 179.5° | 175.4° |
| C22 | N23 | C26 | H5 | 50.3° | 158.5° |
| C22 | N23 | C26 | H6 | 168.1° | 40.1° |
| C20 | C21 | C22 | H4 | 180.0° | 180.0° |
| C20 | C21 | C22 | O25 | 179.5° | 175.4° |
| C22 | C21 | C20 | H3 | 179.9° | 178.3° |
| O25 | C22 | C21 | H4 | 0.5° | 4.7° |
| H2 | C17 | C18 | H17 | 0.8° | 0.5° |
| H3 | C20 | C21 | H4 | 0.1° | 1.6° |
| H5 | C26 | C27 | H18 | 75.1° | 106.3° |
| H5 | C26 | C27 | H19 | 42.8° | 133.5° |
| H6 | C26 | C27 | H18 | 167.1° | 135.3° |
| H6 | C26 | C27 | H19 | 75.0° | 15.1° |
| H9 | C06 | C07 | H11 | 179.9° | 112.5° |
| H9 | C06 | C07 | H12 | 60.8° | 128.1° |
| H10 | C06 | C07 | H11 | 59.7° | 126.7° |
| H10 | C06 | C07 | H12 | 179.0° | 7.2° |
| H11 | C07 | C08 | H13 | 104.1° | 169.0° |
| H11 | C07 | C08 | H14 | 15.7° | 71.6° |
| H12 | C07 | C08 | H13 | 136.7° | 49.5° |
| H12 | C07 | C08 | H14 | 103.6° | 169.0° |
| H13 | C08 | C09 | H15 | 25.2° | 144.8° |
| H13 | C08 | C09 | H16 | 95.5° | 95.4° |
| H14 | C08 | C09 | H15 | 144.9° | 25.3° |
| H14 | C08 | C09 | H16 | 24.3° | 145.1° |
| H15 | C09 | N10 | H25 | 148.7° | 161.1° |
| H16 | C09 | N10 | H25 | 90.6° | 79.1° |
| H20 | C29 | C30 | H21 | 0.7° | 1.3° |
