2HK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | N1 | sing | 1.47Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.51Å | |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C8 | sing | 1.36Å | 1.37Å | |
| C9 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| N2 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C18 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.42Å | 1.44Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.41Å | Aromatic |
| C13 | O2 | sing | 1.36Å | 1.37Å | |
| C13 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| O2 | C14 | sing | 1.43Å | 1.43Å | |
| C18 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.48Å | |
| C16 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C24 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.37Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C25 | sing | 1.48Å | 1.50Å | |
| C25 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O3 | sing | 1.36Å | 1.36Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | N1 | 111.3° | 109.5° |
| C7 | C6 | C5 | 111.4° | 109.3° |
| C6 | C7 | H15 | 109.0° | 109.4° |
| C6 | C7 | H14 | 109.0° | 109.5° |
| C7 | C6 | H13 | 109.0° | 109.6° |
| C7 | C6 | H12 | 109.0° | 109.5° |
| C7 | N1 | C2 | 112.6° | 111.0° |
| C7 | N1 | C3 | 110.2° | 111.2° |
| N1 | C7 | H15 | 109.0° | 109.5° |
| N1 | C7 | H14 | 109.0° | 109.5° |
| C6 | C5 | C4 | 111.0° | 109.2° |
| C5 | C6 | H13 | 109.0° | 109.5° |
| C5 | C6 | H12 | 109.0° | 109.5° |
| C6 | C5 | H11 | 109.1° | 109.5° |
| C6 | C5 | H10 | 109.1° | 109.5° |
| C2 | N1 | C3 | 114.5° | 111.0° |
| N1 | C2 | C1 | 113.4° | 109.5° |
| N1 | C2 | H5 | 108.5° | 109.5° |
| N1 | C2 | H4 | 108.5° | 109.5° |
| N1 | C3 | C4 | 111.5° | 109.5° |
| N1 | C3 | H7 | 109.0° | 109.4° |
| N1 | C3 | H6 | 109.0° | 109.5° |
| C5 | C4 | C3 | 111.5° | 109.3° |
| C4 | C5 | H11 | 109.1° | 109.5° |
| C4 | C5 | H10 | 109.1° | 109.5° |
| C5 | C4 | H9 | 108.9° | 109.5° |
| C5 | C4 | H8 | 109.0° | 109.5° |
| C2 | C1 | O1 | 103.9° | 109.4° |
| C2 | C1 | H2 | 110.8° | 109.4° |
| C2 | C1 | H3 | 110.8° | 109.4° |
| C1 | C2 | H5 | 108.5° | 109.5° |
| C1 | C2 | H4 | 108.5° | 109.5° |
| C3 | C4 | H9 | 109.0° | 109.5° |
| C3 | C4 | H8 | 109.0° | 109.6° |
| C4 | C3 | H7 | 109.0° | 109.5° |
| C4 | C3 | H6 | 109.0° | 109.5° |
| C1 | O1 | C8 | 120.6° | 116.9° |
| O1 | C1 | H2 | 110.8° | 109.5° |
| O1 | C1 | H3 | 110.9° | 109.5° |
| O1 | C8 | C9 | 125.2° | 119.2° |
| O1 | C8 | C13 | 115.1° | 119.2° |
| C8 | C9 | C10 | 119.7° | 119.7° |
| C9 | C8 | C13 | 119.5° | 121.6° |
| C8 | C9 | H16 | 120.1° | 120.1° |
| C9 | C10 | C17 | 129.8° | 134.0° |
| C9 | C10 | C11 | 122.0° | 118.7° |
| C10 | C9 | H16 | 120.1° | 120.2° |
| N3 | N2 | C17 | 109.4° | 107.9° |
| N2 | N3 | C18 | 107.3° | 108.9° |
| N2 | N3 | H32 | 126.4° | 125.5° |
| N3 | N2 | H22 | 125.3° | 126.0° |
| N2 | C17 | C10 | 142.2° | 144.7° |
| N2 | C17 | C16 | 109.2° | 107.1° |
| C17 | N2 | H22 | 125.3° | 126.1° |
| C8 | C13 | O2 | 115.1° | 119.2° |
| C8 | C13 | C12 | 120.0° | 121.6° |
| N3 | C18 | C16 | 110.4° | 108.6° |
| N3 | C18 | C19 | 119.7° | 125.7° |
| C18 | N3 | H32 | 126.3° | 125.5° |
| C10 | C17 | C16 | 108.6° | 108.2° |
| C17 | C10 | C11 | 108.2° | 107.3° |
| C17 | C16 | C18 | 103.7° | 107.4° |
| C17 | C16 | C15 | 107.9° | 108.8° |
| C10 | C11 | C12 | 117.2° | 118.8° |
| C10 | C11 | C15 | 108.5° | 107.4° |
| O2 | C13 | C12 | 124.9° | 119.2° |
| C13 | O2 | C14 | 118.3° | 117.0° |
| C13 | C12 | C11 | 121.6° | 119.6° |
| C13 | C12 | H17 | 119.2° | 120.2° |
| O2 | C14 | H18 | 109.5° | 109.5° |
| O2 | C14 | H20 | 109.5° | 109.5° |
| O2 | C14 | H19 | 109.5° | 109.5° |
| C16 | C18 | C19 | 129.8° | 125.7° |
| C18 | C16 | C15 | 148.1° | 143.8° |
| C18 | C19 | C24 | 119.8° | 120.1° |
| C18 | C19 | C20 | 121.6° | 120.1° |
| C16 | C15 | C11 | 106.8° | 108.3° |
| C16 | C15 | H21 | 126.6° | 125.8° |
| C12 | C11 | C15 | 134.2° | 133.9° |
| C11 | C12 | H17 | 119.2° | 120.2° |
| C11 | C15 | H21 | 126.6° | 125.9° |
| C19 | C24 | C23 | 120.7° | 120.0° |
| C24 | C19 | C20 | 118.4° | 119.9° |
| C19 | C24 | H26 | 119.6° | 120.0° |
| C24 | C23 | C22 | 121.6° | 120.1° |
| C24 | C23 | H25 | 119.2° | 119.9° |
| C23 | C24 | H26 | 119.6° | 120.0° |
| C19 | C20 | C21 | 120.7° | 119.9° |
| C19 | C20 | H23 | 119.6° | 120.0° |
| C23 | C22 | C21 | 117.2° | 120.1° |
| C23 | C22 | C25 | 120.5° | 120.0° |
| C22 | C23 | H25 | 119.2° | 120.0° |
| C20 | C21 | C22 | 121.4° | 120.1° |
| C20 | C21 | H24 | 119.3° | 119.9° |
| C21 | C20 | H23 | 119.7° | 120.1° |
| C21 | C22 | C25 | 121.8° | 120.0° |
| C22 | C21 | H24 | 119.3° | 120.0° |
| C22 | C25 | C30 | 120.9° | 120.0° |
| C22 | C25 | C26 | 121.7° | 120.1° |
| C30 | C25 | C26 | 117.3° | 119.9° |
| C25 | C30 | C29 | 121.7° | 119.9° |
| C25 | C30 | H31 | 119.1° | 120.1° |
| C25 | C26 | C27 | 121.4° | 119.9° |
| C25 | C26 | H27 | 119.3° | 120.1° |
| C30 | C29 | C28 | 120.0° | 120.1° |
| C30 | C29 | H30 | 120.0° | 119.9° |
| C29 | C30 | H31 | 119.1° | 120.0° |
| C26 | C27 | C28 | 119.9° | 120.1° |
| C26 | C27 | H28 | 120.1° | 120.0° |
| C27 | C26 | H27 | 119.3° | 120.1° |
| C29 | C28 | C27 | 119.7° | 120.1° |
| C29 | C28 | O3 | 117.6° | 119.9° |
| C28 | C29 | H30 | 120.0° | 119.9° |
| C27 | C28 | O3 | 122.6° | 119.9° |
| C28 | C27 | H28 | 120.1° | 119.9° |
| C28 | O3 | H29 | 109.5° | 114.0° |
| H18 | C14 | H20 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H20 | C14 | H19 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.4° |
| H15 | C7 | H14 | 109.5° | 109.5° |
| H13 | C6 | H12 | 109.5° | 109.5° |
| H11 | C5 | H10 | 109.5° | 109.6° |
| H9 | C4 | H8 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | N1 | H15 | 120.3° | 120.0° |
| C6 | C7 | N1 | H14 | 120.3° | 120.0° |
| C7 | C6 | C5 | H13 | 120.3° | 120.0° |
| C7 | C6 | C5 | H12 | 120.3° | 119.9° |
| C6 | C7 | N1 | C2 | 71.1° | 174.2° |
| C6 | C7 | N1 | C3 | 58.0° | 61.7° |
| C7 | C6 | C5 | C4 | 53.4° | 57.6° |
| C6 | C7 | H15 | H14 | 119.2° | 120.0° |
| C7 | C6 | H13 | H12 | 119.1° | 120.1° |
| C7 | C6 | C5 | H11 | 173.7° | 62.3° |
| C7 | C6 | C5 | H10 | 66.8° | 177.5° |
| N1 | C7 | C6 | C5 | 56.5° | 59.1° |
| C7 | N1 | C2 | C3 | 126.9° | 124.2° |
| C7 | N1 | C2 | C1 | 164.5° | 160.0° |
| C7 | N1 | C3 | C4 | 57.5° | 61.8° |
| C7 | N1 | C2 | H5 | 43.9° | 80.0° |
| C7 | N1 | C2 | H4 | 74.9° | 39.9° |
| N1 | C7 | H15 | H14 | 119.1° | 120.0° |
| N1 | C7 | C6 | H13 | 63.9° | 179.1° |
| N1 | C7 | C6 | H12 | 176.7° | 60.8° |
| C7 | N1 | C3 | H7 | 62.9° | 178.2° |
| C7 | N1 | C3 | H6 | 177.8° | 58.3° |
| C6 | C5 | C4 | H11 | 120.2° | 119.8° |
| C6 | C5 | C4 | H10 | 120.2° | 119.9° |
| C6 | C5 | C4 | C3 | 52.9° | 57.6° |
| C5 | C6 | C7 | H15 | 63.8° | 60.9° |
| C5 | C6 | C7 | H14 | 176.7° | 179.2° |
| C5 | C6 | H13 | H12 | 119.1° | 120.1° |
| C6 | C5 | H11 | H10 | 119.3° | 120.2° |
| C6 | C5 | C4 | H9 | 67.5° | 177.6° |
| C6 | C5 | C4 | H8 | 173.2° | 62.4° |
| N1 | C2 | C1 | H5 | 120.6° | 120.0° |
| N1 | C2 | C1 | H4 | 120.6° | 120.0° |
| C2 | N1 | C3 | C4 | 70.6° | 174.1° |
| N1 | C2 | C1 | O1 | 94.7° | 65.0° |
| N1 | C2 | C1 | H2 | 24.5° | 55.0° |
| N1 | C2 | C1 | H3 | 146.2° | 175.0° |
| N1 | C2 | H5 | H4 | 118.2° | 120.0° |
| C2 | N1 | C7 | H15 | 168.6° | 65.9° |
| C2 | N1 | C7 | H14 | 49.1° | 54.1° |
| C2 | N1 | C3 | H7 | 169.0° | 54.2° |
| C2 | N1 | C3 | H6 | 49.7° | 65.8° |
| N1 | C3 | C4 | C5 | 55.3° | 59.2° |
| C3 | N1 | C2 | C1 | 68.7° | 75.8° |
| N1 | C3 | C4 | H7 | 120.3° | 119.9° |
| N1 | C3 | C4 | H6 | 120.3° | 120.0° |
| C3 | N1 | C2 | H5 | 170.8° | 44.2° |
| C3 | N1 | C2 | H4 | 51.9° | 164.1° |
| C3 | N1 | C7 | H15 | 62.3° | 58.3° |
| C3 | N1 | C7 | H14 | 178.3° | 178.2° |
| N1 | C3 | C4 | H9 | 65.0° | 179.1° |
| N1 | C3 | C4 | H8 | 175.7° | 60.7° |
| N1 | C3 | H7 | H6 | 119.1° | 119.9° |
| C5 | C4 | C3 | H9 | 120.3° | 119.9° |
| C5 | C4 | C3 | H8 | 120.3° | 119.9° |
| C4 | C5 | C6 | H13 | 66.9° | 177.6° |
| C4 | C5 | C6 | H12 | 173.7° | 62.3° |
| C4 | C5 | H11 | H10 | 119.3° | 120.2° |
| C5 | C4 | H9 | H8 | 119.0° | 120.0° |
| C5 | C4 | C3 | H7 | 65.0° | 179.2° |
| C5 | C4 | C3 | H6 | 175.6° | 60.8° |
| C2 | C1 | O1 | H2 | 119.1° | 120.0° |
| C2 | C1 | O1 | H3 | 119.1° | 120.0° |
| C2 | C1 | O1 | C8 | 102.0° | 180.0° |
| C2 | C1 | H2 | H3 | 122.5° | 120.0° |
| C1 | C2 | H5 | H4 | 118.2° | 120.0° |
| C3 | C4 | C5 | H11 | 173.1° | 62.2° |
| C3 | C4 | C5 | H10 | 67.4° | 177.6° |
| C3 | C4 | H9 | H8 | 119.1° | 120.2° |
| C4 | C3 | H7 | H6 | 119.1° | 120.0° |
| C1 | O1 | C8 | C9 | 26.6° | 0.0° |
| C1 | O1 | C8 | C13 | 158.5° | 180.0° |
| O1 | C1 | H2 | H3 | 122.6° | 120.1° |
| O1 | C1 | C2 | H5 | 144.8° | 175.0° |
| O1 | C1 | C2 | H4 | 25.9° | 55.0° |
| O1 | C8 | C9 | C13 | 174.8° | 180.0° |
| O1 | C8 | C9 | C10 | 174.4° | 180.0° |
| O1 | C8 | C13 | O2 | 5.1° | 0.0° |
| O1 | C8 | C13 | C12 | 174.6° | 180.0° |
| O1 | C8 | C9 | H16 | 5.6° | 0.1° |
| C8 | O1 | C1 | H2 | 138.9° | 60.0° |
| C8 | O1 | C1 | H3 | 17.1° | 60.0° |
| C8 | C9 | C10 | H16 | 180.0° | 180.0° |
| C8 | C9 | C10 | C17 | 179.8° | 179.9° |
| C8 | C9 | C10 | C11 | 0.6° | 0.0° |
| C9 | C8 | C13 | O2 | 179.7° | 180.0° |
| C9 | C8 | C13 | C12 | 0.7° | 0.0° |
| C9 | C10 | C17 | N2 | 5.7° | 0.1° |
| C10 | C9 | C8 | C13 | 0.4° | 0.0° |
| C9 | C10 | C17 | C11 | 179.2° | 180.0° |
| C9 | C10 | C17 | C16 | 178.5° | 180.0° |
| C9 | C10 | C11 | C12 | 1.1° | 0.0° |
| C9 | C10 | C11 | C15 | 178.4° | 179.8° |
| N3 | N2 | C17 | H22 | 180.0° | 179.9° |
| N2 | N3 | C18 | H32 | 180.0° | 180.0° |
| N3 | N2 | C17 | C10 | 175.1° | 180.0° |
| N3 | N2 | C17 | C16 | 0.7° | 0.1° |
| N2 | N3 | C18 | C16 | 0.2° | 0.0° |
| N2 | N3 | C18 | C19 | 176.7° | 179.7° |
| C17 | N2 | N3 | C18 | 0.3° | 0.1° |
| N2 | C17 | C10 | C16 | 175.8° | 179.9° |
| N2 | C17 | C10 | C11 | 175.1° | 179.9° |
| N2 | C17 | C16 | C18 | 0.8° | 0.0° |
| N2 | C17 | C16 | C15 | 177.0° | 179.8° |
| C17 | N2 | N3 | H32 | 179.7° | 180.0° |
| C8 | C13 | O2 | C12 | 179.6° | 180.0° |
| C8 | C13 | O2 | C14 | 177.5° | 180.0° |
| C8 | C13 | C12 | C11 | 1.3° | 0.0° |
| C13 | C8 | C9 | H16 | 179.6° | 179.9° |
| C8 | C13 | C12 | H17 | 178.7° | 179.9° |
| N3 | C18 | C16 | C17 | 0.6° | 0.0° |
| N3 | C18 | C16 | C19 | 176.5° | 179.8° |
| N3 | C18 | C16 | C15 | 173.8° | 179.7° |
| N3 | C18 | C19 | C24 | 9.2° | 0.3° |
| N3 | C18 | C19 | C20 | 176.9° | 179.5° |
| C18 | N3 | N2 | H22 | 179.7° | 179.9° |
| C10 | C17 | C16 | C18 | 176.5° | 180.0° |
| C10 | C17 | C16 | C15 | 0.3° | 0.1° |
| C17 | C10 | C11 | C12 | 179.6° | 179.9° |
| C17 | C10 | C11 | C15 | 0.9° | 0.2° |
| C10 | C17 | N2 | H22 | 4.9° | 0.2° |
| C17 | C10 | C9 | H16 | 0.2° | 0.0° |
| C16 | C17 | C10 | C11 | 0.7° | 0.0° |
| C17 | C16 | C18 | C15 | 173.2° | 179.7° |
| C17 | C16 | C18 | C19 | 175.9° | 179.8° |
| C17 | C16 | C15 | C11 | 0.3° | 0.3° |
| C16 | C17 | N2 | H22 | 179.3° | 179.9° |
| C17 | C16 | C15 | H21 | 179.7° | 179.8° |
| C10 | C11 | C12 | C13 | 1.5° | 0.0° |
| C10 | C11 | C15 | C16 | 0.7° | 0.3° |
| C10 | C11 | C12 | C15 | 179.4° | 179.8° |
| C11 | C10 | C9 | H16 | 179.4° | 180.0° |
| C10 | C11 | C15 | H21 | 179.3° | 179.8° |
| C10 | C11 | C12 | H17 | 178.6° | 180.0° |
| O2 | C13 | C12 | C11 | 179.1° | 180.0° |
| O2 | C13 | C12 | H17 | 0.9° | 0.0° |
| C13 | O2 | C14 | H18 | 180.0° | 60.0° |
| C13 | O2 | C14 | H20 | 60.0° | 60.0° |
| C13 | O2 | C14 | H19 | 60.0° | 180.0° |
| C12 | C13 | O2 | C14 | 2.1° | 0.0° |
| C13 | C12 | C11 | H17 | 180.0° | 180.0° |
| C13 | C12 | C11 | C15 | 177.9° | 179.8° |
| O2 | C14 | H18 | H20 | 120.0° | 120.0° |
| O2 | C14 | H18 | H19 | 120.0° | 120.0° |
| O2 | C14 | H20 | H19 | 120.0° | 120.0° |
| C18 | C16 | C15 | C11 | 172.8° | 180.0° |
| C16 | C18 | C19 | C24 | 167.0° | 180.0° |
| C16 | C18 | C19 | C20 | 6.9° | 0.8° |
| C16 | C18 | N3 | H32 | 179.8° | 180.0° |
| C18 | C16 | C15 | H21 | 7.2° | 0.1° |
| C19 | C18 | C16 | C15 | 2.7° | 0.0° |
| C18 | C19 | C24 | C20 | 174.1° | 179.2° |
| C18 | C19 | C24 | C23 | 174.0° | 180.0° |
| C18 | C19 | C20 | C21 | 173.8° | 179.7° |
| C18 | C19 | C20 | H23 | 6.2° | 0.3° |
| C18 | C19 | C24 | H26 | 6.0° | 0.8° |
| C19 | C18 | N3 | H32 | 3.3° | 0.3° |
| C16 | C15 | C11 | C12 | 179.9° | 179.9° |
| C16 | C15 | C11 | H21 | 180.0° | 179.9° |
| C12 | C11 | C15 | H21 | 0.1° | 0.0° |
| C15 | C11 | C12 | H17 | 2.0° | 0.2° |
| C19 | C24 | C23 | H26 | 180.0° | 179.2° |
| C19 | C24 | C23 | C22 | 0.4° | 0.6° |
| C24 | C19 | C20 | C21 | 0.2° | 0.5° |
| C24 | C19 | C20 | H23 | 179.8° | 179.5° |
| C19 | C24 | C23 | H25 | 179.6° | 179.5° |
| C23 | C24 | C19 | C20 | 0.1° | 0.8° |
| C24 | C23 | C22 | H25 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.8° | 0.0° |
| C24 | C23 | C22 | C25 | 173.3° | 179.7° |
| C19 | C20 | C21 | H23 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C19 | C20 | C21 | H24 | 179.7° | 180.0° |
| C20 | C19 | C24 | H26 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.8° | 0.3° |
| C23 | C22 | C21 | C25 | 172.3° | 179.7° |
| C23 | C22 | C25 | C30 | 27.5° | 0.3° |
| C23 | C22 | C25 | C26 | 155.3° | 179.4° |
| C23 | C22 | C21 | H24 | 179.3° | 179.7° |
| C22 | C23 | C24 | H26 | 179.6° | 179.7° |
| C20 | C21 | C22 | H24 | 180.0° | 180.0° |
| C20 | C21 | C22 | C25 | 173.1° | 180.0° |
| C21 | C22 | C25 | C30 | 160.4° | 180.0° |
| C21 | C22 | C25 | C26 | 16.8° | 0.2° |
| C22 | C21 | C20 | H23 | 179.7° | 179.9° |
| C21 | C22 | C23 | H25 | 179.2° | 180.0° |
| C22 | C25 | C30 | C26 | 177.3° | 179.8° |
| C22 | C25 | C30 | C29 | 178.6° | 180.0° |
| C22 | C25 | C26 | C27 | 178.6° | 180.0° |
| C22 | C25 | C26 | H27 | 1.4° | 0.0° |
| C22 | C25 | C30 | H31 | 1.3° | 0.1° |
| C25 | C22 | C21 | H24 | 6.9° | 0.1° |
| C25 | C22 | C23 | H25 | 6.7° | 0.3° |
| C25 | C30 | C29 | H31 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 1.3° | 0.2° |
| C25 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C25 | C26 | H27 | 178.7° | 179.8° |
| C25 | C30 | C29 | H30 | 179.7° | 180.0° |
| C26 | C25 | C30 | C29 | 1.3° | 0.2° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C25 | C26 | C27 | H28 | 179.8° | 180.0° |
| C26 | C25 | C30 | H31 | 178.7° | 179.7° |
| C30 | C29 | C28 | H30 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.8° | 0.3° |
| C30 | C29 | C28 | O3 | 176.2° | 180.0° |
| C26 | C27 | C28 | C29 | 0.9° | 0.3° |
| C26 | C27 | C28 | H28 | 180.0° | 179.9° |
| C26 | C27 | C28 | O3 | 176.0° | 180.0° |
| C29 | C28 | C27 | O3 | 175.2° | 179.7° |
| C29 | C28 | O3 | H29 | 180.0° | 90.3° |
| C29 | C28 | C27 | H28 | 179.1° | 179.8° |
| C28 | C29 | C30 | H31 | 179.7° | 180.0° |
| C27 | C28 | O3 | H29 | 4.7° | 90.0° |
| C28 | C27 | C26 | H27 | 179.8° | 180.0° |
| C27 | C28 | C29 | H30 | 179.2° | 179.7° |
| O3 | C28 | C27 | H28 | 3.9° | 0.1° |
| O3 | C28 | C29 | H30 | 3.8° | 0.0° |
| H28 | C27 | C26 | H27 | 0.2° | 0.0° |
| H30 | C29 | C30 | H31 | 0.3° | 0.0° |
| H24 | C21 | C20 | H23 | 0.3° | 0.0° |
| H25 | C23 | C24 | H26 | 0.4° | 0.3° |
| H32 | N3 | N2 | H22 | 0.3° | 0.1° |
| H18 | C14 | H20 | H19 | 119.9° | 119.9° |
| H2 | C1 | C2 | H5 | 96.1° | 65.0° |
| H2 | C1 | C2 | H4 | 145.0° | 175.0° |
| H3 | C1 | C2 | H5 | 25.7° | 55.0° |
| H3 | C1 | C2 | H4 | 93.2° | 65.0° |
| H15 | C7 | C6 | H13 | 175.9° | 59.1° |
| H15 | C7 | C6 | H12 | 56.5° | 179.2° |
| H14 | C7 | C6 | H13 | 56.4° | 60.8° |
| H14 | C7 | C6 | H12 | 63.0° | 59.3° |
| H13 | C6 | C5 | H11 | 53.4° | 57.8° |
| H13 | C6 | C5 | H10 | 172.9° | 62.4° |
| H12 | C6 | C5 | H11 | 66.0° | 177.8° |
| H12 | C6 | C5 | H10 | 53.5° | 57.6° |
| H11 | C5 | C4 | H9 | 52.8° | 57.8° |
| H11 | C5 | C4 | H8 | 66.6° | 177.8° |
| H10 | C5 | C4 | H9 | 172.3° | 62.5° |
| H10 | C5 | C4 | H8 | 53.0° | 57.6° |
| H9 | C4 | C3 | H7 | 174.7° | 60.9° |
| H9 | C4 | C3 | H6 | 55.3° | 59.1° |
| H8 | C4 | C3 | H7 | 55.3° | 59.2° |
| H8 | C4 | C3 | H6 | 64.0° | 179.2° |
