59D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| F | C14 | sing | 1.35Å | 1.34Å | |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.49Å | |
| C03 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | O01 | sing | 1.43Å | 1.42Å | |
| C16 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | N01 | sing | 1.40Å | 1.40Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| N01 | C08 | sing | 1.35Å | 1.38Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| O02 | C08 | doub | 1.22Å | 1.22Å | |
| C08 | C09 | sing | 1.48Å | 1.44Å | |
| N02 | C09 | doub | 1.32Å | 1.34Å | Aromatic |
| N02 | N03 | sing | 1.29Å | 1.34Å | Aromatic |
| C09 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | N03 | sing | 1.46Å | 1.45Å | |
| N03 | C17 | sing | 1.34Å | 1.37Å | Aromatic |
| C22 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.47Å | |
| C17 | C18 | sing | 1.51Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C21 | N04 | sing | 1.48Å | 1.46Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| N04 | C23 | sing | 1.35Å | 1.39Å | |
| N04 | C20 | sing | 1.47Å | 1.45Å | |
| C27 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.37Å | Aromatic |
| N1 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.43Å | |
| C23 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| O01 | H15 | sing | 0.97Å | 0.95Å | |
| C04 | H16 | sing | 1.08Å | 1.08Å | |
| C05 | H17 | sing | 1.08Å | 1.08Å | |
| C06 | H18 | sing | 1.08Å | 1.08Å | |
| N01 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C1 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | C06 | 120.0° | 120.0° |
| C05 | C04 | C03 | 120.1° | 120.2° |
| C05 | C04 | H16 | 119.9° | 119.9° |
| C04 | C05 | H17 | 120.0° | 120.0° |
| C05 | C06 | C07 | 119.8° | 119.9° |
| C06 | C05 | H17 | 120.0° | 120.0° |
| C05 | C06 | H18 | 120.1° | 120.0° |
| C04 | C03 | C02 | 120.2° | 120.0° |
| C04 | C03 | C1 | 119.9° | 120.1° |
| C03 | C04 | H16 | 119.9° | 119.9° |
| C01 | C02 | C03 | 110.5° | 109.5° |
| C01 | C02 | O01 | 108.8° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C01 | C02 | H14 | 109.3° | 109.5° |
| F | C14 | C15 | 119.4° | 120.0° |
| F | C14 | C13 | 120.1° | 120.0° |
| C06 | C07 | C1 | 120.2° | 119.8° |
| C06 | C07 | N01 | 118.3° | 120.1° |
| C07 | C06 | H18 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.5° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C14 | C15 | H5 | 120.2° | 120.0° |
| C15 | C16 | C11 | 120.6° | 120.0° |
| C16 | C15 | H5 | 120.2° | 120.0° |
| C15 | C16 | H21 | 119.7° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C14 | C13 | H4 | 120.2° | 120.0° |
| C02 | C03 | C1 | 119.9° | 119.9° |
| C03 | C02 | O01 | 108.1° | 109.4° |
| C03 | C02 | H14 | 109.6° | 109.5° |
| C03 | C1 | C07 | 119.9° | 119.9° |
| C03 | C1 | H28 | 120.1° | 120.1° |
| O01 | C02 | H14 | 110.6° | 109.4° |
| C02 | O01 | H15 | 109.5° | 114.0° |
| C16 | C11 | C12 | 119.3° | 120.1° |
| C16 | C11 | C10 | 121.9° | 120.0° |
| C11 | C16 | H21 | 119.7° | 120.0° |
| C1 | C07 | N01 | 121.5° | 120.1° |
| C07 | C1 | H28 | 120.0° | 120.0° |
| C07 | N01 | C08 | 123.4° | 120.0° |
| C07 | N01 | H19 | 118.3° | 120.0° |
| C13 | C12 | C11 | 120.4° | 120.0° |
| C12 | C13 | H4 | 120.2° | 120.0° |
| C13 | C12 | H20 | 119.8° | 120.0° |
| N01 | C08 | O02 | 127.0° | 120.0° |
| N01 | C08 | C09 | 111.0° | 120.0° |
| C08 | N01 | H19 | 118.3° | 120.0° |
| C12 | C11 | C10 | 118.9° | 120.0° |
| C11 | C12 | H20 | 119.8° | 120.0° |
| C11 | C10 | N03 | 111.8° | 109.5° |
| C11 | C10 | H2 | 108.9° | 109.4° |
| C11 | C10 | H3 | 108.9° | 109.5° |
| O02 | C08 | C09 | 122.0° | 120.0° |
| C08 | C09 | N02 | 120.0° | 126.7° |
| C08 | C09 | C22 | 128.7° | 126.7° |
| C09 | N02 | N03 | 104.1° | 110.1° |
| N02 | C09 | C22 | 111.3° | 106.6° |
| N02 | N03 | C10 | 119.3° | 125.0° |
| N02 | N03 | C17 | 113.4° | 110.1° |
| C09 | C22 | C17 | 105.2° | 106.1° |
| C09 | C22 | C21 | 131.3° | 129.5° |
| C10 | N03 | C17 | 127.3° | 124.9° |
| N03 | C10 | H2 | 108.9° | 109.5° |
| N03 | C10 | H3 | 108.9° | 109.5° |
| N03 | C17 | C22 | 106.0° | 107.1° |
| N03 | C17 | C18 | 127.9° | 128.7° |
| C17 | C22 | C21 | 123.5° | 124.4° |
| C22 | C17 | C18 | 126.1° | 124.3° |
| C22 | C21 | N04 | 109.3° | 107.1° |
| C22 | C21 | H8 | 109.5° | 109.9° |
| C22 | C21 | H9 | 109.5° | 110.0° |
| C17 | C18 | C19 | 111.2° | 109.6° |
| C17 | C18 | C20 | 106.0° | 108.8° |
| C17 | C18 | H22 | 110.4° | 109.6° |
| C19 | C18 | C20 | 109.9° | 109.5° |
| C19 | C18 | H22 | 109.7° | 109.7° |
| C18 | C19 | H23 | 109.5° | 109.4° |
| C18 | C19 | H24 | 109.4° | 109.5° |
| C18 | C19 | H25 | 109.4° | 109.5° |
| C21 | N04 | C23 | 124.1° | 120.8° |
| C21 | N04 | C20 | 118.0° | 118.3° |
| N04 | C21 | H8 | 109.5° | 109.9° |
| N04 | C21 | H9 | 109.5° | 109.9° |
| C18 | C20 | N04 | 113.2° | 109.3° |
| C18 | C20 | H6 | 108.5° | 109.5° |
| C18 | C20 | H7 | 108.5° | 109.5° |
| C20 | C18 | H22 | 109.6° | 109.6° |
| C23 | N04 | C20 | 117.9° | 120.9° |
| N04 | C23 | C24 | 118.0° | 120.0° |
| N04 | C23 | O1 | 122.4° | 120.0° |
| N04 | C20 | H6 | 108.5° | 109.5° |
| N04 | C20 | H7 | 108.5° | 109.5° |
| N1 | C27 | C26 | 107.9° | 108.9° |
| C27 | N1 | C24 | 110.1° | 108.6° |
| C27 | N1 | H1 | 125.0° | 125.7° |
| N1 | C27 | H27 | 126.1° | 125.5° |
| C27 | C26 | C25 | 107.1° | 107.9° |
| C27 | C26 | H10 | 126.5° | 126.1° |
| C26 | C27 | H27 | 126.1° | 125.6° |
| N1 | C24 | C25 | 107.2° | 107.6° |
| N1 | C24 | C23 | 121.6° | 126.2° |
| C24 | N1 | H1 | 124.9° | 125.7° |
| C26 | C25 | C24 | 107.7° | 107.1° |
| C25 | C26 | H10 | 126.4° | 126.1° |
| C26 | C25 | H26 | 126.1° | 126.4° |
| C25 | C24 | C23 | 131.3° | 126.2° |
| C24 | C25 | H26 | 126.1° | 126.5° |
| C24 | C23 | O1 | 119.6° | 120.0° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.9° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.4° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | C06 | H17 | 180.0° | 179.9° |
| C05 | C04 | C03 | H16 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.2° | 0.1° |
| C05 | C04 | C03 | C02 | 179.9° | 180.0° |
| C05 | C04 | C03 | C1 | 0.1° | 0.3° |
| C04 | C05 | C06 | H18 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C05 | C06 | C07 | H18 | 180.0° | 179.9° |
| C05 | C06 | C07 | C1 | 0.4° | 0.4° |
| C05 | C06 | C07 | N01 | 179.6° | 180.0° |
| C06 | C05 | C04 | H16 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 55.4° | 85.3° |
| C04 | C03 | C02 | C1 | 179.9° | 179.7° |
| C04 | C03 | C02 | O01 | 63.6° | 34.7° |
| C04 | C03 | C1 | C07 | 0.2° | 0.6° |
| C04 | C03 | C02 | H14 | 175.8° | 154.7° |
| C03 | C04 | C05 | H17 | 179.9° | 180.0° |
| C04 | C03 | C1 | H28 | 179.8° | 179.7° |
| C01 | C02 | C03 | O01 | 119.0° | 120.0° |
| C01 | C02 | C03 | H14 | 120.5° | 120.1° |
| C01 | C02 | C03 | C1 | 124.8° | 95.0° |
| C01 | C02 | O01 | H14 | 120.0° | 120.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 119.9° |
| C01 | C02 | O01 | H15 | 180.0° | 60.0° |
| F | C14 | C15 | C13 | 179.9° | 179.9° |
| F | C14 | C15 | C16 | 179.9° | 180.0° |
| F | C14 | C13 | C12 | 179.9° | 179.9° |
| F | C14 | C13 | H4 | 0.0° | 0.2° |
| F | C14 | C15 | H5 | 0.1° | 0.1° |
| C06 | C07 | C1 | C03 | 0.4° | 0.6° |
| C06 | C07 | C1 | N01 | 179.2° | 179.6° |
| C06 | C07 | N01 | C08 | 129.6° | 35.4° |
| C07 | C06 | C05 | H17 | 179.8° | 180.0° |
| C06 | C07 | N01 | H19 | 50.4° | 144.5° |
| C06 | C07 | C1 | H28 | 179.6° | 179.7° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.0° | 0.2° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | H4 | 179.9° | 179.7° |
| C14 | C15 | C16 | H21 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C15 | C16 | C11 | H21 | 180.0° | 179.8° |
| C15 | C16 | C11 | C12 | 0.0° | 0.5° |
| C15 | C16 | C11 | C10 | 180.0° | 180.0° |
| C14 | C13 | C12 | H4 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.1° | 0.2° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | H20 | 179.9° | 179.8° |
| C03 | C02 | O01 | H14 | 119.9° | 120.0° |
| C02 | C03 | C1 | C07 | 179.9° | 179.7° |
| C03 | C02 | C01 | H11 | 180.0° | 180.0° |
| C03 | C02 | C01 | H12 | 60.0° | 59.9° |
| C03 | C02 | C01 | H13 | 60.0° | 60.0° |
| C03 | C02 | O01 | H15 | 59.9° | 180.0° |
| C02 | C03 | C04 | H16 | 0.1° | 0.0° |
| C02 | C03 | C1 | H28 | 0.1° | 0.0° |
| C1 | C03 | C02 | O01 | 116.3° | 145.0° |
| C03 | C1 | C07 | H28 | 180.0° | 179.7° |
| C03 | C1 | C07 | N01 | 179.6° | 179.8° |
| C1 | C03 | C02 | H14 | 4.3° | 25.0° |
| C1 | C03 | C04 | H16 | 180.0° | 179.7° |
| O01 | C02 | C01 | H11 | 61.5° | 60.0° |
| O01 | C02 | C01 | H12 | 58.5° | 60.1° |
| O01 | C02 | C01 | H13 | 178.5° | 180.0° |
| C16 | C11 | C12 | C13 | 0.1° | 0.5° |
| C16 | C11 | C12 | C10 | 180.0° | 179.5° |
| C16 | C11 | C10 | N03 | 38.0° | 89.5° |
| C16 | C11 | C10 | H2 | 158.3° | 150.4° |
| C16 | C11 | C10 | H3 | 82.4° | 30.5° |
| C11 | C16 | C15 | H5 | 180.0° | 179.7° |
| C16 | C11 | C12 | H20 | 179.9° | 179.5° |
| C1 | C07 | N01 | C08 | 51.2° | 144.2° |
| C1 | C07 | C06 | H18 | 179.7° | 179.7° |
| C1 | C07 | N01 | H19 | 128.8° | 35.8° |
| C07 | N01 | C08 | H19 | 180.0° | 179.9° |
| C07 | N01 | C08 | O02 | 18.8° | 4.9° |
| C07 | N01 | C08 | C09 | 162.0° | 175.1° |
| N01 | C07 | C06 | H18 | 0.4° | 0.1° |
| N01 | C07 | C1 | H28 | 0.4° | 0.0° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| N01 | C08 | O02 | C09 | 179.2° | 180.0° |
| N01 | C08 | C09 | N02 | 34.7° | 0.0° |
| N01 | C08 | C09 | C22 | 145.0° | 180.0° |
| C12 | C11 | C10 | N03 | 142.0° | 90.0° |
| C12 | C11 | C10 | H2 | 21.7° | 30.0° |
| C12 | C11 | C10 | H3 | 97.6° | 150.0° |
| C11 | C12 | C13 | H4 | 179.9° | 180.0° |
| C12 | C11 | C16 | H21 | 180.0° | 179.8° |
| C11 | C10 | N03 | N02 | 87.6° | 0.5° |
| C11 | C10 | N03 | H2 | 120.3° | 120.0° |
| C11 | C10 | N03 | H3 | 120.3° | 120.0° |
| C11 | C10 | N03 | C17 | 92.4° | 179.1° |
| C11 | C10 | H2 | H3 | 119.0° | 120.0° |
| C10 | C11 | C12 | H20 | 0.1° | 0.0° |
| C10 | C11 | C16 | H21 | 0.0° | 0.2° |
| O02 | C08 | C09 | N02 | 146.0° | 179.9° |
| O02 | C08 | C09 | C22 | 34.3° | 0.0° |
| O02 | C08 | N01 | H19 | 161.2° | 175.0° |
| C08 | C09 | N02 | C22 | 179.7° | 180.0° |
| C08 | C09 | N02 | N03 | 179.9° | 179.7° |
| C08 | C09 | C22 | C17 | 179.9° | 179.8° |
| C08 | C09 | C22 | C21 | 0.3° | 0.3° |
| C09 | C08 | N01 | H19 | 18.0° | 4.9° |
| C09 | N02 | N03 | C10 | 179.9° | 179.9° |
| C09 | N02 | N03 | C17 | 0.2° | 0.2° |
| N02 | C09 | C22 | C17 | 0.2° | 0.1° |
| N02 | C09 | C22 | C21 | 180.0° | 179.8° |
| N03 | N02 | C09 | C22 | 0.2° | 0.2° |
| N02 | N03 | C10 | C17 | 180.0° | 179.6° |
| N02 | N03 | C17 | C22 | 0.1° | 0.1° |
| N02 | N03 | C17 | C18 | 179.7° | 179.9° |
| N02 | N03 | C10 | H2 | 152.0° | 119.5° |
| N02 | N03 | C10 | H3 | 32.7° | 120.5° |
| C09 | C22 | C17 | N03 | 0.1° | 0.0° |
| C09 | C22 | C17 | C21 | 179.8° | 179.9° |
| C09 | C22 | C17 | C18 | 179.8° | 179.7° |
| C09 | C22 | C21 | N04 | 174.6° | 169.1° |
| C09 | C22 | C21 | H8 | 65.4° | 49.7° |
| C09 | C22 | C21 | H9 | 54.6° | 71.5° |
| C10 | N03 | C17 | C22 | 180.0° | 179.7° |
| C10 | N03 | C17 | C18 | 0.3° | 0.5° |
| N03 | C10 | H2 | H3 | 118.9° | 120.0° |
| N03 | C17 | C22 | C18 | 179.8° | 179.8° |
| N03 | C17 | C22 | C21 | 179.9° | 179.9° |
| N03 | C17 | C18 | C19 | 80.8° | 42.6° |
| N03 | C17 | C18 | C20 | 159.8° | 162.4° |
| C17 | N03 | C10 | H2 | 27.9° | 60.9° |
| C17 | N03 | C10 | H3 | 147.3° | 59.1° |
| N03 | C17 | C18 | H22 | 41.1° | 77.8° |
| C22 | C17 | C18 | C19 | 99.5° | 137.7° |
| C17 | C22 | C21 | N04 | 5.2° | 11.0° |
| C22 | C17 | C18 | C20 | 20.0° | 17.9° |
| C17 | C22 | C21 | H8 | 114.8° | 130.4° |
| C17 | C22 | C21 | H9 | 125.2° | 108.4° |
| C22 | C17 | C18 | H22 | 138.6° | 101.9° |
| C21 | C22 | C17 | C18 | 0.4° | 0.4° |
| C22 | C21 | N04 | H8 | 120.0° | 119.4° |
| C22 | C21 | N04 | H9 | 120.0° | 119.5° |
| C22 | C21 | N04 | C23 | 142.7° | 136.0° |
| C22 | C21 | N04 | C20 | 34.6° | 43.9° |
| C22 | C21 | H8 | H9 | 120.1° | 121.3° |
| C17 | C18 | C19 | C20 | 117.1° | 119.3° |
| C17 | C18 | C19 | H22 | 122.4° | 120.4° |
| C17 | C18 | C20 | H22 | 119.1° | 119.8° |
| C17 | C18 | C20 | N04 | 46.5° | 45.4° |
| C17 | C18 | C20 | H6 | 167.0° | 74.6° |
| C17 | C18 | C20 | H7 | 74.1° | 165.3° |
| C17 | C18 | C19 | H23 | 180.0° | 69.5° |
| C17 | C18 | C19 | H24 | 60.0° | 170.5° |
| C17 | C18 | C19 | H25 | 60.0° | 50.5° |
| C19 | C18 | C20 | H22 | 120.6° | 120.4° |
| C19 | C18 | C20 | N04 | 73.8° | 165.2° |
| C19 | C18 | C20 | H6 | 46.8° | 45.2° |
| C19 | C18 | C20 | H7 | 165.7° | 74.9° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.1° |
| C21 | N04 | C20 | C18 | 59.2° | 64.3° |
| C21 | N04 | C23 | C20 | 177.4° | 179.9° |
| C21 | N04 | C23 | C24 | 21.3° | 6.6° |
| C21 | N04 | C23 | O1 | 158.7° | 173.4° |
| C21 | N04 | C20 | H6 | 179.7° | 55.7° |
| C21 | N04 | C20 | H7 | 61.4° | 175.8° |
| N04 | C21 | H8 | H9 | 120.0° | 121.1° |
| C18 | C20 | N04 | C23 | 118.3° | 115.7° |
| C18 | C20 | N04 | H6 | 120.6° | 120.0° |
| C18 | C20 | N04 | H7 | 120.5° | 119.9° |
| C18 | C20 | H6 | H7 | 118.3° | 120.1° |
| C20 | C18 | C19 | H23 | 62.9° | 171.2° |
| C20 | C18 | C19 | H24 | 57.1° | 51.3° |
| C20 | C18 | C19 | H25 | 177.1° | 68.8° |
| N04 | C23 | C24 | N1 | 149.0° | 14.0° |
| N04 | C23 | C24 | C25 | 31.6° | 166.1° |
| N04 | C23 | C24 | O1 | 180.0° | 180.0° |
| C23 | N04 | C20 | H6 | 2.2° | 124.3° |
| C23 | N04 | C20 | H7 | 121.1° | 4.3° |
| C23 | N04 | C21 | H8 | 97.3° | 16.6° |
| C23 | N04 | C21 | H9 | 22.7° | 104.5° |
| C20 | N04 | C23 | C24 | 161.4° | 173.5° |
| C20 | N04 | C23 | O1 | 18.7° | 6.5° |
| N04 | C20 | H6 | H7 | 118.3° | 120.0° |
| C20 | N04 | C21 | H8 | 85.4° | 163.3° |
| C20 | N04 | C21 | H9 | 154.6° | 75.6° |
| N04 | C20 | C18 | H22 | 165.6° | 74.4° |
| N1 | C27 | C26 | H27 | 180.0° | 179.6° |
| C27 | N1 | C24 | H1 | 180.0° | 179.8° |
| N1 | C27 | C26 | C25 | 0.1° | 0.4° |
| C27 | N1 | C24 | C25 | 0.2° | 0.3° |
| C27 | N1 | C24 | C23 | 179.8° | 179.8° |
| N1 | C27 | C26 | H10 | 179.9° | 179.8° |
| C26 | C27 | N1 | C24 | 0.1° | 0.4° |
| C27 | C26 | C25 | H10 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.3° | 0.3° |
| C26 | C27 | N1 | H1 | 179.9° | 179.8° |
| C27 | C26 | C25 | H26 | 179.7° | 179.7° |
| N1 | C24 | C25 | C26 | 0.3° | 0.0° |
| N1 | C24 | C25 | C23 | 179.5° | 180.0° |
| N1 | C24 | C23 | O1 | 31.0° | 166.0° |
| N1 | C24 | C25 | H26 | 179.7° | 180.0° |
| C24 | N1 | C27 | H27 | 180.0° | 179.9° |
| C26 | C25 | C24 | H26 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.8° | 180.0° |
| C25 | C26 | C27 | H27 | 179.9° | 179.9° |
| C25 | C24 | C23 | O1 | 148.4° | 13.9° |
| C25 | C24 | N1 | H1 | 179.7° | 179.9° |
| C24 | C25 | C26 | H10 | 179.8° | 180.0° |
| C23 | C24 | N1 | H1 | 0.2° | 0.0° |
| C23 | C24 | C25 | H26 | 0.2° | 0.0° |
| H1 | N1 | C27 | H27 | 0.1° | 0.1° |
| H4 | C13 | C12 | H20 | 0.1° | 0.0° |
| H5 | C15 | C16 | H21 | 0.0° | 0.0° |
| H6 | C20 | C18 | H22 | 73.8° | 165.6° |
| H7 | C20 | C18 | H22 | 45.1° | 45.5° |
| H10 | C26 | C25 | H26 | 0.3° | 0.0° |
| H10 | C26 | C27 | H27 | 0.1° | 0.1° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H11 | C01 | C02 | H14 | 59.4° | 59.9° |
| H12 | C01 | C02 | H14 | 179.4° | NaN° |
| H13 | C01 | C02 | H14 | 60.6° | 60.1° |
| H14 | C02 | O01 | H15 | 60.0° | 60.0° |
| H16 | C04 | C05 | H17 | 0.1° | 0.0° |
| H17 | C05 | C06 | H18 | 0.2° | 0.1° |
| H22 | C18 | C19 | H23 | 57.6° | 50.9° |
| H22 | C18 | C19 | H24 | 177.6° | 69.1° |
| H22 | C18 | C19 | H25 | 62.4° | 170.8° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
