PKX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | O3 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C12 | sing | 1.53Å | 1.52Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| N2 | C13 | sing | 1.38Å | 1.35Å | |
| N5 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C31 | sing | 1.34Å | 1.37Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| C30 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| O3 | C28 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C13 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C31 | C24 | sing | 1.42Å | 1.42Å | Aromatic |
| C28 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| C6 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.50Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C14 | doub | 1.32Å | 1.30Å | Aromatic |
| C24 | C14 | sing | 1.41Å | 1.43Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | O2 | sing | 1.36Å | 1.37Å | |
| C26 | C25 | sing | 1.37Å | 1.36Å | Aromatic |
| C | O | doub | 1.22Å | 1.24Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | O1 | sing | 1.35Å | 1.36Å | |
| O2 | C27 | sing | 1.43Å | 1.43Å | |
| O1 | C15 | sing | 1.36Å | 1.39Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C15 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | N4 | trip | 1.14Å | 1.14Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | O3 | C28 | 117.5° | 117.0° |
| O3 | C29 | H25 | 109.5° | 109.5° |
| O3 | C29 | H26 | 109.5° | 109.4° |
| O3 | C29 | H27 | 109.5° | 109.4° |
| C8 | C9 | C12 | 110.6° | 109.3° |
| C9 | C8 | N1 | 111.1° | 109.5° |
| C9 | C8 | H31 | 109.1° | 109.4° |
| C9 | C8 | H32 | 109.1° | 109.5° |
| C8 | C9 | H33 | 109.2° | 109.5° |
| C8 | C9 | H34 | 109.2° | 109.5° |
| C9 | C12 | N2 | 110.5° | 109.5° |
| C9 | C12 | C11 | 110.5° | 109.2° |
| C9 | C12 | H11 | 108.2° | 109.6° |
| C12 | C9 | H33 | 109.2° | 109.5° |
| C12 | C9 | H34 | 109.2° | 109.5° |
| C12 | N2 | C13 | 122.1° | 120.0° |
| N2 | C12 | C11 | 110.4° | 109.5° |
| C12 | N2 | H1 | 106.2° | 120.0° |
| N2 | C12 | H11 | 109.0° | 109.5° |
| N2 | C13 | N5 | 116.7° | 118.6° |
| N2 | C13 | N3 | 116.7° | 118.7° |
| C13 | N2 | H1 | 106.2° | 120.0° |
| C13 | N5 | C31 | 115.9° | 120.3° |
| N5 | C13 | N3 | 126.7° | 122.7° |
| N5 | C31 | C30 | 118.2° | 121.7° |
| N5 | C31 | C24 | 122.5° | 118.8° |
| C31 | C30 | C28 | 120.5° | 119.5° |
| C30 | C31 | C24 | 119.3° | 119.5° |
| C31 | C30 | H28 | 119.8° | 120.2° |
| C30 | C28 | O3 | 124.8° | 119.6° |
| C30 | C28 | C26 | 120.3° | 120.7° |
| C28 | C30 | H28 | 119.7° | 120.2° |
| C8 | N1 | C7 | 110.9° | 111.0° |
| C8 | N1 | C10 | 109.1° | 111.2° |
| N1 | C8 | H31 | 109.1° | 109.5° |
| N1 | C8 | H32 | 109.1° | 109.5° |
| O3 | C28 | C26 | 114.9° | 119.7° |
| C4 | C5 | C6 | 121.0° | 120.1° |
| C5 | C4 | C1 | 120.7° | 119.8° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C4 | C5 | H4 | 119.5° | 119.9° |
| C5 | C6 | C7 | 121.0° | 119.8° |
| C5 | C6 | C3 | 118.3° | 120.3° |
| C6 | C5 | H4 | 119.5° | 119.9° |
| C12 | C11 | C10 | 110.6° | 109.3° |
| C12 | C11 | H9 | 109.2° | 109.5° |
| C12 | C11 | H10 | 109.2° | 109.5° |
| C11 | C12 | H11 | 108.2° | 109.5° |
| C7 | N1 | C10 | 111.1° | 111.0° |
| N1 | C7 | C6 | 113.8° | 109.5° |
| N1 | C7 | H29 | 108.4° | 109.5° |
| N1 | C7 | H30 | 108.4° | 109.5° |
| N1 | C10 | C11 | 111.1° | 109.5° |
| N1 | C10 | H7 | 109.1° | 109.4° |
| N1 | C10 | H8 | 109.1° | 109.4° |
| C13 | N3 | C14 | 116.9° | 121.5° |
| C31 | C24 | C14 | 113.7° | 118.3° |
| C31 | C24 | C25 | 118.7° | 119.8° |
| C28 | C26 | O2 | 114.8° | 119.6° |
| C28 | C26 | C25 | 120.3° | 120.8° |
| C4 | C1 | C | 120.9° | 120.1° |
| C4 | C1 | C2 | 118.3° | 119.7° |
| C1 | C4 | H3 | 119.7° | 120.1° |
| C7 | C6 | C3 | 120.7° | 119.8° |
| C6 | C7 | H29 | 108.4° | 109.5° |
| C6 | C7 | H30 | 108.4° | 109.5° |
| C11 | C10 | H7 | 109.1° | 109.5° |
| C11 | C10 | H8 | 109.0° | 109.5° |
| C10 | C11 | H9 | 109.2° | 109.5° |
| C10 | C11 | H10 | 109.2° | 109.5° |
| N | C | C1 | 117.8° | 120.0° |
| N | C | O | 122.7° | 119.9° |
| C | N | H5 | 120.0° | 120.1° |
| C | N | H6 | 120.0° | 120.0° |
| C6 | C3 | C2 | 121.0° | 120.1° |
| C6 | C3 | H2 | 119.5° | 119.9° |
| C | C1 | C2 | 120.8° | 120.1° |
| C1 | C | O | 119.4° | 120.0° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| C1 | C2 | H16 | 119.7° | 120.1° |
| N3 | C14 | C24 | 124.4° | 118.4° |
| N3 | C14 | O1 | 119.3° | 120.9° |
| C14 | C24 | C25 | 127.6° | 121.9° |
| C24 | C14 | O1 | 116.3° | 120.8° |
| C24 | C25 | C26 | 120.9° | 119.7° |
| C24 | C25 | H21 | 119.5° | 120.1° |
| O2 | C26 | C25 | 124.9° | 119.6° |
| C26 | O2 | C27 | 117.4° | 117.0° |
| C26 | C25 | H21 | 119.6° | 120.2° |
| C2 | C3 | H2 | 119.5° | 120.0° |
| C3 | C2 | H16 | 119.7° | 120.0° |
| C14 | O1 | C15 | 118.8° | 117.9° |
| O2 | C27 | H22 | 109.5° | 109.4° |
| O2 | C27 | H23 | 109.5° | 109.5° |
| O2 | C27 | H24 | 109.4° | 109.4° |
| O1 | C15 | C22 | 118.3° | 119.9° |
| O1 | C15 | C16 | 118.4° | 119.9° |
| C23 | C22 | C15 | 121.9° | 120.0° |
| C23 | C22 | C21 | 120.5° | 119.9° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C22 | C23 | H19 | 109.4° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C22 | C15 | C16 | 123.3° | 120.2° |
| C15 | C22 | C21 | 117.6° | 120.1° |
| C15 | C16 | C17 | 122.0° | 120.0° |
| C15 | C16 | C18 | 117.6° | 120.0° |
| C22 | C21 | C19 | 120.7° | 119.9° |
| C22 | C21 | H17 | 119.6° | 120.1° |
| C17 | C16 | C18 | 120.4° | 120.0° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C16 | C17 | H13 | 109.4° | 109.5° |
| C16 | C17 | H14 | 109.5° | 109.5° |
| C16 | C18 | C19 | 120.7° | 120.0° |
| C16 | C18 | H15 | 119.6° | 120.0° |
| C21 | C19 | C18 | 120.1° | 119.8° |
| C21 | C19 | C20 | 120.0° | 120.1° |
| C19 | C21 | H17 | 119.7° | 120.1° |
| C18 | C19 | C20 | 119.9° | 120.1° |
| C19 | C18 | H15 | 119.7° | 120.0° |
| C19 | C20 | N4 | 178.4° | 180.0° |
| H5 | N | H6 | 120.0° | 120.0° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H14 | 109.4° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.4° |
| H18 | C23 | H20 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.4° | 109.5° |
| H25 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H29 | C7 | H30 | 109.5° | 109.5° |
| H31 | C8 | H32 | 109.5° | 109.5° |
| H33 | C9 | H34 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | O3 | C28 | C30 | 0.1° | 0.0° |
| C29 | O3 | C28 | C26 | 179.9° | 180.0° |
| O3 | C29 | H25 | H26 | 120.0° | 120.0° |
| O3 | C29 | H25 | H27 | 120.0° | 120.0° |
| O3 | C29 | H26 | H27 | 120.0° | 119.9° |
| C8 | C9 | C12 | H33 | 120.2° | 119.9° |
| C8 | C9 | C12 | H34 | 120.2° | 119.9° |
| C8 | C9 | C12 | N2 | 175.4° | 177.6° |
| C9 | C8 | N1 | H31 | 120.2° | 120.0° |
| C9 | C8 | N1 | H32 | 120.2° | 120.0° |
| C8 | C9 | C12 | C11 | 52.8° | 57.7° |
| C9 | C8 | N1 | C7 | 175.9° | 174.2° |
| C9 | C8 | N1 | C10 | 61.5° | 61.8° |
| C8 | C9 | C12 | H11 | 65.4° | 62.3° |
| C9 | C8 | H31 | H32 | 119.3° | 120.0° |
| C8 | C9 | H33 | H34 | 119.5° | 120.1° |
| C9 | C12 | N2 | C11 | 122.5° | 119.7° |
| C9 | C12 | N2 | H11 | 118.8° | 120.2° |
| C9 | C12 | N2 | C13 | 145.8° | 85.3° |
| C12 | C9 | C8 | N1 | 57.8° | 59.2° |
| C9 | C12 | C11 | H11 | 118.3° | 120.0° |
| C9 | C12 | C11 | C10 | 52.7° | 57.7° |
| C9 | C12 | N2 | H1 | 92.5° | 94.7° |
| C9 | C12 | C11 | H9 | 67.4° | 177.7° |
| C9 | C12 | C11 | H10 | 172.9° | 62.3° |
| C12 | C9 | C8 | H31 | 62.5° | 60.8° |
| C12 | C9 | C8 | H32 | 178.0° | 179.2° |
| C12 | C9 | H33 | H34 | 119.5° | 120.2° |
| C12 | N2 | C13 | H1 | 121.8° | 179.9° |
| C12 | N2 | C13 | N5 | 178.9° | 179.8° |
| N2 | C12 | C11 | H11 | 119.2° | 120.1° |
| C12 | N2 | C13 | N3 | 0.3° | 0.1° |
| N2 | C12 | C11 | C10 | 175.3° | 177.6° |
| N2 | C12 | C11 | H9 | 55.1° | 62.4° |
| N2 | C12 | C11 | H10 | 64.6° | 57.6° |
| N2 | C12 | C9 | H33 | 55.2° | 62.5° |
| N2 | C12 | C9 | H34 | 64.5° | 57.6° |
| N2 | C13 | N5 | N3 | 179.1° | 179.7° |
| N2 | C13 | N5 | C31 | 178.9° | 179.9° |
| C13 | N2 | C12 | C11 | 91.7° | 155.0° |
| N2 | C13 | N3 | C14 | 178.9° | 179.9° |
| C13 | N2 | C12 | H11 | 27.0° | 34.9° |
| C13 | N5 | C31 | C30 | 179.8° | 179.5° |
| C13 | N5 | C31 | C24 | 0.1° | 0.1° |
| N5 | C13 | N3 | C14 | 0.3° | 0.2° |
| N5 | C13 | N2 | H1 | 57.2° | 0.3° |
| N5 | C31 | C30 | C24 | 179.9° | 179.4° |
| N5 | C31 | C30 | C28 | 180.0° | 180.0° |
| C31 | N5 | C13 | N3 | 0.2° | 0.2° |
| N5 | C31 | C24 | C14 | 0.1° | 0.3° |
| N5 | C31 | C24 | C25 | 180.0° | 180.0° |
| N5 | C31 | C30 | H28 | 0.0° | 0.5° |
| C31 | C30 | C28 | H28 | 180.0° | 179.5° |
| C31 | C30 | C28 | O3 | 180.0° | 179.7° |
| C31 | C30 | C28 | C26 | 0.0° | 0.3° |
| C30 | C31 | C24 | C14 | 179.8° | 179.8° |
| C30 | C31 | C24 | C25 | 0.1° | 0.5° |
| C30 | C28 | O3 | C26 | 180.0° | 180.0° |
| C28 | C30 | C31 | C24 | 0.1° | 0.5° |
| C30 | C28 | C26 | O2 | 179.9° | 180.0° |
| C30 | C28 | C26 | C25 | 0.1° | 0.1° |
| C8 | N1 | C7 | C10 | 121.5° | 124.2° |
| C8 | N1 | C7 | C6 | 172.5° | 170.0° |
| C8 | N1 | C10 | C11 | 61.3° | 61.7° |
| C8 | N1 | C10 | H7 | 58.9° | 178.2° |
| C8 | N1 | C10 | H8 | 178.4° | 58.2° |
| C8 | N1 | C7 | H29 | 66.9° | 50.0° |
| C8 | N1 | C7 | H30 | 51.8° | 70.0° |
| N1 | C8 | H31 | H32 | 119.3° | 120.0° |
| N1 | C8 | C9 | H33 | 62.4° | 179.1° |
| N1 | C8 | C9 | H34 | 177.9° | 60.8° |
| O3 | C28 | C26 | O2 | 0.1° | 0.0° |
| O3 | C28 | C26 | C25 | 179.9° | 180.0° |
| C28 | O3 | C29 | H25 | 180.0° | 180.0° |
| C28 | O3 | C29 | H26 | 60.0° | 59.9° |
| C28 | O3 | C29 | H27 | 60.0° | 60.0° |
| O3 | C28 | C30 | H28 | 0.0° | 0.2° |
| C4 | C5 | C6 | H4 | 180.0° | 179.7° |
| C5 | C4 | C1 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 177.3° | 180.0° |
| C4 | C5 | C6 | C3 | 0.8° | 0.1° |
| C5 | C4 | C1 | C | 178.6° | 180.0° |
| C5 | C4 | C1 | C2 | 0.5° | 0.5° |
| C5 | C6 | C7 | N1 | 44.8° | 90.0° |
| C6 | C5 | C4 | C1 | 0.2° | 0.3° |
| C5 | C6 | C7 | C3 | 178.0° | 179.9° |
| C5 | C6 | C3 | C2 | 0.7° | 0.1° |
| C5 | C6 | C3 | H2 | 179.3° | 179.8° |
| C6 | C5 | C4 | H3 | 179.8° | 179.7° |
| C5 | C6 | C7 | H29 | 165.4° | 150.0° |
| C5 | C6 | C7 | H30 | 75.9° | 29.9° |
| C12 | C11 | C10 | N1 | 57.5° | 59.2° |
| C12 | C11 | C10 | H9 | 120.2° | 120.0° |
| C12 | C11 | C10 | H10 | 120.2° | 120.0° |
| C11 | C12 | N2 | H1 | 30.1° | 25.0° |
| C12 | C11 | C10 | H7 | 62.7° | 179.1° |
| C12 | C11 | C10 | H8 | 177.8° | 60.8° |
| C12 | C11 | H9 | H10 | 119.5° | 120.1° |
| C11 | C12 | C9 | H33 | 67.3° | 177.6° |
| C11 | C12 | C9 | H34 | 173.0° | 62.3° |
| N1 | C7 | C6 | H29 | 120.6° | 120.0° |
| N1 | C7 | C6 | H30 | 120.7° | 120.0° |
| C7 | N1 | C10 | C11 | 176.1° | 174.2° |
| N1 | C7 | C6 | C3 | 137.2° | 90.0° |
| C7 | N1 | C10 | H7 | 63.6° | 54.1° |
| C7 | N1 | C10 | H8 | 55.9° | 65.9° |
| N1 | C7 | H29 | H30 | 118.0° | 120.0° |
| C7 | N1 | C8 | H31 | 63.9° | 65.9° |
| C7 | N1 | C8 | H32 | 55.7° | 54.2° |
| C10 | N1 | C7 | C6 | 66.0° | 65.8° |
| N1 | C10 | C11 | H7 | 120.3° | 120.0° |
| N1 | C10 | C11 | H8 | 120.2° | 120.0° |
| N1 | C10 | H7 | H8 | 119.3° | 120.0° |
| N1 | C10 | C11 | H9 | 62.6° | 179.1° |
| N1 | C10 | C11 | H10 | 177.7° | 60.8° |
| C10 | N1 | C7 | H29 | 54.6° | 174.2° |
| C10 | N1 | C7 | H30 | 173.3° | 54.2° |
| C10 | N1 | C8 | H31 | 58.8° | 58.2° |
| C10 | N1 | C8 | H32 | 178.3° | 178.2° |
| C13 | N3 | C14 | C24 | 0.2° | 0.0° |
| C13 | N3 | C14 | O1 | 178.8° | 180.0° |
| N3 | C13 | N2 | H1 | 122.0° | 180.0° |
| C31 | C24 | C14 | N3 | 0.1° | 0.3° |
| C31 | C24 | C14 | C25 | 180.0° | 179.7° |
| C31 | C24 | C25 | C26 | 0.1° | 0.3° |
| C31 | C24 | C14 | O1 | 178.9° | 179.7° |
| C31 | C24 | C25 | H21 | 179.9° | 179.8° |
| C24 | C31 | C30 | H28 | 179.9° | 180.0° |
| C28 | C26 | C25 | C24 | 0.0° | 0.1° |
| C28 | C26 | O2 | C25 | 179.9° | 180.0° |
| C28 | C26 | O2 | C27 | 179.7° | 180.0° |
| C28 | C26 | C25 | H21 | 180.0° | 180.0° |
| C26 | C28 | C30 | H28 | 180.0° | 179.8° |
| C4 | C1 | C | N | 23.7° | 180.0° |
| C4 | C1 | C | C2 | 179.1° | 179.5° |
| C4 | C1 | C | O | 156.5° | 0.0° |
| C4 | C1 | C2 | C3 | 0.5° | 0.5° |
| C1 | C4 | C5 | H4 | 179.8° | 180.0° |
| C4 | C1 | C2 | H16 | 179.5° | 179.5° |
| C7 | C6 | C3 | C2 | 177.4° | 180.0° |
| C7 | C6 | C3 | H2 | 2.6° | 0.3° |
| C7 | C6 | C5 | H4 | 2.7° | 0.3° |
| C6 | C7 | H29 | H30 | 118.0° | 120.0° |
| C11 | C10 | H7 | H8 | 119.2° | 120.0° |
| C10 | C11 | H9 | H10 | 119.5° | 120.1° |
| C10 | C11 | C12 | H11 | 65.6° | 62.3° |
| N | C | C1 | O | 179.8° | 180.0° |
| N | C | C1 | C2 | 155.4° | 0.5° |
| C | N | H5 | H6 | 180.0° | 179.9° |
| C6 | C3 | C2 | C1 | 0.0° | 0.3° |
| C6 | C3 | C2 | H2 | 180.0° | 179.7° |
| C3 | C6 | C5 | H4 | 179.2° | 179.7° |
| C6 | C3 | C2 | H16 | 179.9° | 179.8° |
| C3 | C6 | C7 | H29 | 16.5° | 30.0° |
| C3 | C6 | C7 | H30 | 102.2° | 150.0° |
| C | C1 | C2 | C3 | 178.5° | 180.0° |
| C | C1 | C4 | H3 | 1.4° | 0.0° |
| C1 | C | N | H5 | 179.8° | 180.0° |
| C1 | C | N | H6 | 0.2° | 0.0° |
| C | C1 | C2 | H16 | 1.4° | 0.0° |
| C2 | C1 | C | O | 24.4° | 179.5° |
| C1 | C2 | C3 | H16 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C1 | C4 | H3 | 179.5° | 179.5° |
| N3 | C14 | C24 | O1 | 179.0° | 180.0° |
| N3 | C14 | C24 | C25 | 179.9° | 180.0° |
| N3 | C14 | O1 | C15 | 10.2° | 0.1° |
| C14 | C24 | C25 | C26 | 179.9° | 180.0° |
| C24 | C14 | O1 | C15 | 170.7° | 180.0° |
| C14 | C24 | C25 | H21 | 0.1° | 0.1° |
| C24 | C25 | C26 | O2 | 179.9° | 180.0° |
| C24 | C25 | C26 | H21 | 180.0° | 179.9° |
| C25 | C24 | C14 | O1 | 1.1° | 0.0° |
| O2 | C26 | C25 | H21 | 0.1° | 0.0° |
| C26 | O2 | C27 | H22 | 180.0° | 180.0° |
| C26 | O2 | C27 | H23 | 60.0° | 59.9° |
| C26 | O2 | C27 | H24 | 60.0° | 60.0° |
| C25 | C26 | O2 | C27 | 0.2° | 0.1° |
| O | C | N | H5 | 0.0° | 0.1° |
| O | C | N | H6 | 180.0° | 180.0° |
| C14 | O1 | C15 | C22 | 94.4° | 90.0° |
| C14 | O1 | C15 | C16 | 85.6° | 89.7° |
| O2 | C27 | H22 | H23 | 120.0° | 120.0° |
| O2 | C27 | H22 | H24 | 120.0° | 119.9° |
| O2 | C27 | H23 | H24 | 120.0° | 119.9° |
| O1 | C15 | C22 | C23 | 1.4° | 0.1° |
| O1 | C15 | C22 | C16 | 180.0° | 179.8° |
| O1 | C15 | C22 | C21 | 179.6° | 179.7° |
| O1 | C15 | C16 | C17 | 2.0° | 0.0° |
| O1 | C15 | C16 | C18 | 179.4° | 180.0° |
| C23 | C22 | C15 | C21 | 179.0° | 179.8° |
| C23 | C22 | C15 | C16 | 178.6° | 179.7° |
| C23 | C22 | C21 | C19 | 178.9° | 179.7° |
| C23 | C22 | C21 | H17 | 1.1° | 0.1° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H20 | 120.0° | 120.0° |
| C22 | C23 | H19 | H20 | 120.0° | 120.1° |
| C22 | C15 | C16 | C17 | 178.0° | 179.7° |
| C22 | C15 | C16 | C18 | 0.6° | 0.2° |
| C15 | C22 | C21 | C19 | 0.1° | 0.5° |
| C15 | C22 | C21 | H17 | 179.9° | 179.7° |
| C15 | C22 | C23 | H18 | 90.5° | 90.0° |
| C15 | C22 | C23 | H19 | 149.5° | 150.0° |
| C15 | C22 | C23 | H20 | 29.5° | 29.9° |
| C16 | C15 | C22 | C21 | 0.4° | 0.5° |
| C15 | C16 | C17 | C18 | 178.6° | 179.9° |
| C15 | C16 | C18 | C19 | 0.5° | 0.0° |
| C15 | C16 | C17 | H12 | 89.3° | 90.0° |
| C15 | C16 | C17 | H13 | 150.7° | 150.0° |
| C15 | C16 | C17 | H14 | 30.7° | 30.0° |
| C15 | C16 | C18 | H15 | 179.5° | 180.0° |
| C22 | C21 | C19 | H17 | 180.0° | 179.8° |
| C22 | C21 | C19 | C18 | 0.0° | 0.3° |
| C22 | C21 | C19 | C20 | 179.4° | 179.8° |
| C21 | C22 | C23 | H18 | 90.5° | 89.8° |
| C21 | C22 | C23 | H19 | 29.5° | 30.2° |
| C21 | C22 | C23 | H20 | 149.5° | 150.3° |
| C17 | C16 | C18 | C19 | 178.2° | 180.0° |
| C16 | C17 | H12 | H13 | 120.0° | 120.0° |
| C16 | C17 | H12 | H14 | 120.0° | 120.0° |
| C16 | C17 | H13 | H14 | 120.0° | 120.0° |
| C17 | C16 | C18 | H15 | 1.8° | 0.1° |
| C16 | C18 | C19 | C21 | 0.2° | 0.0° |
| C16 | C18 | C19 | H15 | 180.0° | 180.0° |
| C16 | C18 | C19 | C20 | 179.2° | 180.0° |
| C18 | C16 | C17 | H12 | 89.3° | 90.0° |
| C18 | C16 | C17 | H13 | 30.7° | 30.1° |
| C18 | C16 | C17 | H14 | 150.7° | 150.0° |
| C21 | C19 | C18 | C20 | 179.4° | 180.0° |
| C21 | C19 | C20 | N4 | 179.6° | 110.5° |
| C21 | C19 | C18 | H15 | 179.8° | 179.9° |
| C18 | C19 | C20 | N4 | 1.0° | 69.6° |
| C18 | C19 | C21 | H17 | 180.0° | 179.9° |
| C20 | C19 | C18 | H15 | 0.8° | 0.0° |
| C20 | C19 | C21 | H17 | 0.6° | 0.0° |
| H1 | N2 | C12 | H11 | 148.7° | 145.1° |
| H2 | C3 | C2 | H16 | 0.1° | 0.1° |
| H3 | C4 | C5 | H4 | 0.2° | 0.0° |
| H7 | C10 | C11 | H9 | 177.1° | 60.9° |
| H7 | C10 | C11 | H10 | 57.5° | 59.2° |
| H8 | C10 | C11 | H9 | 57.6° | 59.2° |
| H8 | C10 | C11 | H10 | 62.0° | 179.2° |
| H9 | C11 | C12 | H11 | 174.3° | 57.6° |
| H10 | C11 | C12 | H11 | 54.6° | 177.7° |
| H11 | C12 | C9 | H33 | 174.4° | 57.6° |
| H11 | C12 | C9 | H34 | 54.7° | 177.8° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
| H18 | C23 | H19 | H20 | 120.0° | 119.9° |
| H22 | C27 | H23 | H24 | 120.0° | 120.0° |
| H25 | C29 | H26 | H27 | 120.0° | 120.0° |
| H31 | C8 | C9 | H33 | 177.4° | 59.2° |
| H31 | C8 | C9 | H34 | 57.7° | 179.3° |
| H32 | C8 | C9 | H33 | 57.8° | 60.9° |
| H32 | C8 | C9 | H34 | 61.9° | 59.3° |
