A1B0K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| C13 | N3 | sing | 1.46Å | 1.45Å | |
| C15 | O1 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.22Å | 1.26Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| N3 | C7 | sing | 1.38Å | 1.41Å | |
| N1 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| C18 | N4 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.46Å | 1.45Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.50Å | |
| C | N | sing | 1.35Å | 1.31Å | |
| C5 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| CL | C24 | sing | 1.74Å | 1.74Å | |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C12 | sing | 1.47Å | 1.43Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C26 | sing | 1.48Å | 1.49Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| N4 | H24 | sing | 1.01Å | 1.00Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| N | H32 | sing | 0.97Å | 1.00Å | |
| N | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | O1 | 109.8° | 109.5° |
| C14 | C13 | N3 | 111.1° | 109.5° |
| C14 | C13 | H10 | 109.1° | 109.5° |
| C14 | C13 | H11 | 109.1° | 109.4° |
| C13 | C14 | H12 | 109.4° | 109.5° |
| C13 | C14 | H13 | 109.4° | 109.5° |
| C14 | O1 | C15 | 111.7° | 114.0° |
| O1 | C14 | H12 | 109.4° | 109.5° |
| O1 | C14 | H13 | 109.4° | 109.5° |
| C13 | N3 | C7 | 123.5° | 120.0° |
| N3 | C13 | H10 | 109.1° | 109.5° |
| N3 | C13 | H11 | 109.1° | 109.5° |
| C13 | N3 | H20 | 105.9° | 120.0° |
| O1 | C15 | C16 | 109.6° | 109.4° |
| O1 | C15 | H17 | 109.5° | 109.5° |
| O1 | C15 | H18 | 109.4° | 109.5° |
| C15 | C16 | C17 | 111.6° | 109.5° |
| C16 | C15 | H17 | 109.4° | 109.5° |
| C16 | C15 | H18 | 109.4° | 109.5° |
| C15 | C16 | H30 | 109.0° | 109.5° |
| C15 | C16 | H31 | 108.9° | 109.5° |
| C16 | C17 | C18 | 110.6° | 109.5° |
| C16 | C17 | H28 | 109.2° | 109.5° |
| C16 | C17 | H29 | 109.2° | 109.5° |
| C17 | C16 | H30 | 108.9° | 109.4° |
| C17 | C16 | H31 | 108.9° | 109.4° |
| O | C | C1 | 119.9° | 120.0° |
| O | C | N | 123.0° | 120.0° |
| C17 | C18 | N4 | 113.0° | 109.5° |
| C17 | C18 | H26 | 108.6° | 109.5° |
| C17 | C18 | H27 | 108.6° | 109.5° |
| C18 | C17 | H28 | 109.2° | 109.5° |
| C18 | C17 | H29 | 109.2° | 109.5° |
| N3 | C7 | N1 | 118.0° | 119.7° |
| N3 | C7 | C8 | 118.6° | 119.7° |
| C7 | N3 | H20 | 105.8° | 120.0° |
| C7 | N1 | C5 | 118.9° | 123.4° |
| N1 | C7 | C8 | 123.3° | 120.6° |
| N1 | C5 | C6 | 117.7° | 119.9° |
| N1 | C5 | C4 | 122.8° | 121.1° |
| C18 | N4 | C19 | 110.7° | 111.0° |
| C18 | N4 | H24 | 109.2° | 111.0° |
| N4 | C18 | H26 | 108.6° | 109.4° |
| N4 | C18 | H27 | 108.6° | 109.5° |
| C5 | C6 | C1 | 120.6° | 119.7° |
| C6 | C5 | C4 | 119.5° | 119.0° |
| C5 | C6 | H3 | 119.7° | 120.1° |
| C6 | C1 | C | 120.9° | 119.8° |
| C6 | C1 | C2 | 119.6° | 120.5° |
| C1 | C6 | H3 | 119.7° | 120.1° |
| N4 | C19 | C20 | 114.3° | 109.5° |
| N4 | C19 | H22 | 108.3° | 109.5° |
| N4 | C19 | H23 | 108.2° | 109.5° |
| C19 | N4 | H24 | 109.2° | 111.0° |
| C7 | C8 | C9 | 125.2° | 123.0° |
| C7 | C8 | C12 | 116.9° | 118.7° |
| C1 | C | N | 117.1° | 120.0° |
| C | C1 | C2 | 119.3° | 119.8° |
| C | N | H32 | 120.0° | 120.0° |
| C | N | H33 | 120.0° | 120.0° |
| C5 | C4 | C12 | 118.2° | 118.5° |
| C5 | C4 | C3 | 118.0° | 120.3° |
| C1 | C2 | C3 | 120.8° | 120.5° |
| C1 | C2 | H1 | 119.6° | 119.8° |
| CL | C24 | C25 | 117.5° | 120.0° |
| CL | C24 | C23 | 120.8° | 120.1° |
| C24 | C25 | C20 | 120.4° | 120.1° |
| C25 | C24 | C23 | 121.7° | 119.9° |
| C24 | C25 | H6 | 119.8° | 120.0° |
| C25 | C20 | C19 | 120.5° | 119.9° |
| C25 | C20 | C21 | 118.5° | 120.3° |
| C20 | C25 | H6 | 119.8° | 119.9° |
| C19 | C20 | C21 | 121.1° | 119.8° |
| C20 | C19 | H22 | 108.2° | 109.5° |
| C20 | C19 | H23 | 108.3° | 109.5° |
| C30 | C31 | C26 | 120.7° | 119.8° |
| C31 | C30 | C29 | 120.2° | 120.2° |
| C30 | C31 | H16 | 119.7° | 120.1° |
| C31 | C30 | H21 | 119.9° | 119.9° |
| C31 | C26 | C23 | 120.9° | 120.1° |
| C31 | C26 | C27 | 118.4° | 119.7° |
| C26 | C31 | H16 | 119.7° | 120.0° |
| C24 | C23 | C22 | 117.4° | 119.8° |
| C24 | C23 | C26 | 124.3° | 120.1° |
| C20 | C21 | C22 | 121.2° | 120.1° |
| C20 | C21 | H4 | 119.4° | 119.9° |
| C9 | C8 | C12 | 117.9° | 118.3° |
| C8 | C9 | C10 | 119.2° | 118.5° |
| C8 | C9 | H8 | 120.4° | 120.7° |
| C8 | C12 | C4 | 119.7° | 117.7° |
| C8 | C12 | C11 | 116.9° | 119.0° |
| C30 | C29 | C28 | 119.8° | 120.2° |
| C30 | C29 | H15 | 120.1° | 119.9° |
| C29 | C30 | H21 | 119.9° | 119.9° |
| C12 | C4 | C3 | 123.8° | 121.3° |
| C4 | C12 | C11 | 123.4° | 123.2° |
| C4 | C3 | C2 | 121.4° | 120.1° |
| C4 | C3 | H2 | 119.3° | 120.0° |
| C22 | C23 | C26 | 118.3° | 120.1° |
| C23 | C22 | C21 | 120.8° | 119.9° |
| C23 | C22 | H5 | 119.6° | 120.1° |
| C23 | C26 | C27 | 120.7° | 120.1° |
| C22 | C21 | H4 | 119.4° | 120.0° |
| C21 | C22 | H5 | 119.6° | 120.1° |
| C9 | C10 | N2 | 124.2° | 121.9° |
| C10 | C9 | H8 | 120.4° | 120.7° |
| C9 | C10 | H19 | 117.9° | 119.1° |
| C3 | C2 | H1 | 119.6° | 119.7° |
| C2 | C3 | H2 | 119.3° | 119.9° |
| C26 | C27 | C28 | 120.7° | 119.9° |
| C26 | C27 | H7 | 119.6° | 120.1° |
| C12 | C11 | N2 | 124.3° | 119.8° |
| C12 | C11 | H9 | 117.8° | 120.2° |
| C29 | C28 | C27 | 120.2° | 120.1° |
| C29 | C28 | H14 | 119.9° | 119.9° |
| C28 | C29 | H15 | 120.1° | 119.9° |
| C10 | N2 | C11 | 117.5° | 122.5° |
| N2 | C10 | H19 | 117.9° | 119.1° |
| C28 | C27 | H7 | 119.7° | 120.0° |
| C27 | C28 | H14 | 119.9° | 120.0° |
| N2 | C11 | H9 | 117.9° | 120.1° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| H28 | C17 | H29 | 109.5° | 109.4° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H32 | N | H33 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | O1 | H12 | 120.0° | 120.0° |
| C13 | C14 | O1 | H13 | 120.0° | 120.0° |
| C14 | C13 | N3 | H10 | 120.3° | 120.0° |
| C14 | C13 | N3 | H11 | 120.2° | 120.0° |
| C13 | C14 | O1 | C15 | 176.4° | 180.0° |
| C14 | C13 | N3 | C7 | 78.9° | 179.9° |
| C14 | C13 | H10 | H11 | 119.2° | 119.9° |
| C13 | C14 | H12 | H13 | 119.8° | 120.0° |
| C14 | C13 | N3 | H20 | 43.0° | 0.0° |
| O1 | C14 | C13 | N3 | 58.4° | 65.0° |
| C14 | O1 | C15 | C16 | 171.5° | 180.0° |
| O1 | C14 | C13 | H10 | 61.8° | 175.0° |
| O1 | C14 | C13 | H11 | 178.7° | 55.0° |
| O1 | C14 | H12 | H13 | 119.9° | 120.0° |
| C14 | O1 | C15 | H17 | 51.4° | 60.0° |
| C14 | O1 | C15 | H18 | 68.5° | 60.0° |
| C13 | N3 | C7 | H20 | 121.9° | 179.9° |
| C13 | N3 | C7 | N1 | 0.3° | 0.1° |
| C13 | N3 | C7 | C8 | 177.1° | 180.0° |
| N3 | C13 | H10 | H11 | 119.2° | 120.1° |
| N3 | C13 | C14 | H12 | 61.6° | 175.0° |
| N3 | C13 | C14 | H13 | 178.5° | 55.0° |
| O1 | C15 | C16 | H17 | 120.0° | 120.0° |
| O1 | C15 | C16 | H18 | 120.0° | 120.0° |
| O1 | C15 | C16 | C17 | 172.9° | 180.0° |
| C15 | O1 | C14 | H12 | 56.4° | 60.0° |
| C15 | O1 | C14 | H13 | 63.5° | 60.0° |
| O1 | C15 | H17 | H18 | 119.9° | 120.0° |
| O1 | C15 | C16 | H30 | 66.8° | 60.1° |
| O1 | C15 | C16 | H31 | 52.6° | 60.0° |
| C15 | C16 | C17 | H30 | 120.4° | 120.0° |
| C15 | C16 | C17 | H31 | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | C15 | H17 | H18 | 119.9° | 120.1° |
| C15 | C16 | C17 | H28 | 59.6° | 60.0° |
| C15 | C16 | C17 | H29 | 60.1° | 60.0° |
| C15 | C16 | H30 | H31 | 119.0° | 120.1° |
| C16 | C17 | C18 | H28 | 120.1° | 120.0° |
| C16 | C17 | C18 | H29 | 120.2° | 120.0° |
| C16 | C17 | C18 | N4 | 178.2° | 180.0° |
| C17 | C16 | C15 | H17 | 52.9° | 60.0° |
| C17 | C16 | C15 | H18 | 67.1° | 60.0° |
| C16 | C17 | C18 | H26 | 61.2° | 60.0° |
| C16 | C17 | C18 | H27 | 57.7° | 60.0° |
| C16 | C17 | H28 | H29 | 119.5° | 120.0° |
| C17 | C16 | H30 | H31 | 119.0° | 120.0° |
| O | C | C1 | C6 | 28.8° | 0.3° |
| O | C | C1 | N | 178.5° | 179.9° |
| O | C | C1 | C2 | 156.5° | 180.0° |
| O | C | N | H32 | 0.0° | 180.0° |
| O | C | N | H33 | 180.0° | 0.1° |
| C17 | C18 | N4 | H26 | 120.5° | 120.0° |
| C17 | C18 | N4 | H27 | 120.5° | 120.0° |
| C17 | C18 | N4 | C19 | 169.2° | 180.0° |
| C17 | C18 | N4 | H24 | 49.0° | 56.0° |
| C17 | C18 | H26 | H27 | 118.3° | 120.0° |
| C18 | C17 | H28 | H29 | 119.5° | 120.0° |
| C18 | C17 | C16 | H30 | 59.9° | 60.0° |
| C18 | C17 | C16 | H31 | 59.5° | 60.0° |
| N3 | C7 | N1 | C8 | 177.2° | 179.9° |
| N3 | C7 | N1 | C5 | 175.2° | 179.9° |
| N3 | C7 | C8 | C9 | 6.3° | 0.0° |
| N3 | C7 | C8 | C12 | 172.7° | 179.9° |
| C7 | N3 | C13 | H10 | 160.8° | 60.1° |
| C7 | N3 | C13 | H11 | 41.3° | 60.0° |
| C7 | N1 | C5 | C6 | 177.2° | 180.0° |
| C7 | N1 | C5 | C4 | 1.8° | 0.0° |
| N1 | C7 | C8 | C9 | 176.5° | 179.9° |
| N1 | C7 | C8 | C12 | 4.5° | 0.0° |
| N1 | C7 | N3 | H20 | 122.2° | 180.0° |
| N1 | C5 | C6 | C4 | 179.0° | 180.0° |
| N1 | C5 | C6 | C1 | 176.9° | 180.0° |
| C5 | N1 | C7 | C8 | 2.1° | 0.1° |
| N1 | C5 | C4 | C12 | 3.0° | 0.1° |
| N1 | C5 | C4 | C3 | 178.4° | 180.0° |
| N1 | C5 | C6 | H3 | 3.1° | 0.0° |
| C18 | N4 | C19 | H24 | 120.2° | 123.9° |
| C18 | N4 | C19 | C20 | 176.4° | 180.0° |
| C18 | N4 | C19 | H22 | 62.9° | 60.0° |
| C18 | N4 | C19 | H23 | 55.7° | 60.0° |
| N4 | C18 | H26 | H27 | 118.4° | 120.0° |
| N4 | C18 | C17 | H28 | 58.1° | 60.0° |
| N4 | C18 | C17 | H29 | 61.6° | 60.0° |
| C5 | C6 | C1 | H3 | 180.0° | 179.9° |
| C5 | C6 | C1 | C | 172.5° | 179.7° |
| C5 | C6 | C1 | C2 | 2.2° | 0.0° |
| C6 | C5 | C4 | C12 | 176.0° | 179.9° |
| C6 | C5 | C4 | C3 | 2.6° | 0.0° |
| C6 | C1 | C | C2 | 174.7° | 179.7° |
| C6 | C1 | C | N | 149.7° | 179.7° |
| C1 | C6 | C5 | C4 | 4.0° | 0.0° |
| C6 | C1 | C2 | C3 | 1.2° | 0.1° |
| C6 | C1 | C2 | H1 | 178.9° | 180.0° |
| N4 | C19 | C20 | C25 | 114.5° | 90.2° |
| N4 | C19 | C20 | H22 | 120.7° | 120.0° |
| N4 | C19 | C20 | H23 | 120.7° | 120.0° |
| N4 | C19 | C20 | C21 | 65.0° | 90.0° |
| N4 | C19 | H22 | H23 | 117.8° | 120.0° |
| C19 | N4 | C18 | H26 | 70.3° | 60.0° |
| C19 | N4 | C18 | H27 | 48.7° | 60.0° |
| C7 | C8 | C9 | C12 | 179.0° | 179.9° |
| C7 | C8 | C12 | C4 | 3.2° | 0.1° |
| C7 | C8 | C9 | C10 | 176.1° | 180.0° |
| C7 | C8 | C12 | C11 | 176.7° | 180.0° |
| C7 | C8 | C9 | H8 | 3.8° | 0.0° |
| C8 | C7 | N3 | H20 | 55.2° | 0.1° |
| C | C1 | C2 | C3 | 175.9° | 179.8° |
| C | C1 | C2 | H1 | 4.1° | 0.3° |
| C | C1 | C6 | H3 | 7.5° | 0.2° |
| C1 | C | N | H32 | 178.4° | 0.1° |
| C1 | C | N | H33 | 1.6° | 180.0° |
| N | C | C1 | C2 | 25.0° | 0.0° |
| C | N | H32 | H33 | 180.0° | 179.9° |
| C5 | C4 | C12 | C8 | 0.3° | 0.1° |
| C5 | C4 | C12 | C3 | 178.5° | 179.9° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C5 | C4 | C12 | C11 | 179.9° | 180.0° |
| C5 | C4 | C3 | H2 | 179.3° | 180.0° |
| C4 | C5 | C6 | H3 | 176.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.6° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 177.4° | 179.9° |
| C2 | C1 | C6 | H3 | 177.8° | 179.9° |
| CL | C24 | C25 | C23 | 178.1° | 179.9° |
| CL | C24 | C25 | C20 | 177.3° | 180.0° |
| CL | C24 | C23 | C22 | 177.6° | 179.9° |
| CL | C24 | C23 | C26 | 2.2° | 0.0° |
| CL | C24 | C25 | H6 | 2.8° | 0.1° |
| C24 | C25 | C20 | H6 | 180.0° | 179.9° |
| C24 | C25 | C20 | C19 | 179.6° | 179.7° |
| C24 | C25 | C20 | C21 | 0.2° | 0.1° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C25 | C24 | C23 | C26 | 179.8° | 179.9° |
| C25 | C20 | C19 | C21 | 179.4° | 179.8° |
| C20 | C25 | C24 | C23 | 0.8° | 0.1° |
| C25 | C20 | C21 | C22 | 0.9° | 0.0° |
| C25 | C20 | C21 | H4 | 179.2° | 180.0° |
| C25 | C20 | C19 | H22 | 6.2° | 29.8° |
| C25 | C20 | C19 | H23 | 124.8° | 149.8° |
| C19 | C20 | C21 | C22 | 178.6° | 179.8° |
| C19 | C20 | C21 | H4 | 1.4° | 0.2° |
| C19 | C20 | C25 | H6 | 0.3° | 0.2° |
| C20 | C19 | H22 | H23 | 117.8° | 120.0° |
| C20 | C19 | N4 | H24 | 56.2° | 56.1° |
| C30 | C31 | C26 | H16 | 180.0° | 179.4° |
| C31 | C30 | C29 | H21 | 180.0° | 179.5° |
| C30 | C31 | C26 | C23 | 179.6° | 179.7° |
| C30 | C31 | C26 | C27 | 0.3° | 0.5° |
| C31 | C30 | C29 | C28 | 1.1° | 0.3° |
| C31 | C30 | C29 | H15 | 178.9° | 179.7° |
| C31 | C26 | C23 | C24 | 73.2° | 129.7° |
| C26 | C31 | C30 | C29 | 0.8° | 0.6° |
| C31 | C26 | C23 | C22 | 107.0° | 50.2° |
| C31 | C26 | C23 | C27 | 179.9° | 179.8° |
| C31 | C26 | C27 | C28 | 1.0° | 0.2° |
| C31 | C26 | C27 | H7 | 179.0° | 179.7° |
| C26 | C31 | C30 | H21 | 179.3° | 180.0° |
| C24 | C23 | C22 | C26 | 179.8° | 180.0° |
| C24 | C23 | C22 | C21 | 0.6° | 0.0° |
| C24 | C23 | C26 | C27 | 106.7° | 50.0° |
| C24 | C23 | C22 | H5 | 179.4° | 180.0° |
| C23 | C24 | C25 | H6 | 179.1° | 180.0° |
| C20 | C21 | C22 | C23 | 1.3° | 0.0° |
| C20 | C21 | C22 | H4 | 180.0° | 180.0° |
| C20 | C21 | C22 | H5 | 178.7° | 180.0° |
| C21 | C20 | C25 | H6 | 179.8° | 180.0° |
| C21 | C20 | C19 | H22 | 174.3° | 150.0° |
| C21 | C20 | C19 | H23 | 55.7° | 30.1° |
| C9 | C8 | C12 | C4 | 177.8° | 180.0° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C9 | C8 | C12 | C11 | 2.4° | 0.1° |
| C8 | C9 | C10 | N2 | 1.2° | 0.0° |
| C8 | C9 | C10 | H19 | 178.8° | 179.9° |
| C8 | C12 | C4 | C11 | 179.8° | 179.9° |
| C8 | C12 | C4 | C3 | 178.8° | 180.0° |
| C12 | C8 | C9 | C10 | 2.8° | 0.0° |
| C8 | C12 | C11 | N2 | 0.3° | 0.1° |
| C12 | C8 | C9 | H8 | 177.2° | 179.9° |
| C8 | C12 | C11 | H9 | 179.7° | 179.9° |
| C30 | C29 | C28 | H15 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.4° | 0.0° |
| C30 | C29 | C28 | H14 | 179.6° | 180.0° |
| C29 | C30 | C31 | H16 | 179.2° | 180.0° |
| C12 | C4 | C3 | C2 | 179.2° | 180.0° |
| C4 | C12 | C11 | N2 | 179.9° | 180.0° |
| C12 | C4 | C3 | H2 | 0.8° | 0.0° |
| C4 | C12 | C11 | H9 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C12 | C11 | 1.4° | 0.0° |
| C4 | C3 | C2 | H1 | 177.4° | 180.0° |
| C23 | C22 | C21 | H5 | 180.0° | 180.0° |
| C22 | C23 | C26 | C27 | 73.1° | 130.0° |
| C23 | C22 | C21 | H4 | 178.7° | 180.0° |
| C26 | C23 | C22 | C21 | 179.2° | 180.0° |
| C23 | C26 | C27 | C28 | 178.8° | 180.0° |
| C26 | C23 | C22 | H5 | 0.8° | 0.0° |
| C23 | C26 | C27 | H7 | 1.2° | 0.0° |
| C23 | C26 | C31 | H16 | 0.4° | 0.3° |
| C9 | C10 | N2 | H19 | 180.0° | 179.9° |
| C9 | C10 | N2 | C11 | 0.9° | 0.0° |
| C26 | C27 | C28 | C29 | 0.7° | 0.0° |
| C26 | C27 | C28 | H7 | 180.0° | 179.9° |
| C26 | C27 | C28 | H14 | 179.3° | 180.0° |
| C27 | C26 | C31 | H16 | 179.7° | 180.0° |
| C12 | C11 | N2 | C10 | 1.3° | 0.0° |
| C12 | C11 | N2 | H9 | 180.0° | 180.0° |
| C29 | C28 | C27 | H14 | 180.0° | 180.0° |
| C29 | C28 | C27 | H7 | 179.3° | 180.0° |
| C28 | C29 | C30 | H21 | 178.9° | 179.8° |
| N2 | C10 | C9 | H8 | 178.8° | 180.0° |
| C10 | N2 | C11 | H9 | 178.7° | 180.0° |
| C27 | C28 | C29 | H15 | 179.6° | 180.0° |
| C11 | N2 | C10 | H19 | 179.1° | 180.0° |
| H1 | C2 | C3 | H2 | 2.6° | 0.0° |
| H4 | C21 | C22 | H5 | 1.3° | 0.0° |
| H7 | C27 | C28 | H14 | 0.7° | 0.1° |
| H8 | C9 | C10 | H19 | 1.2° | 0.1° |
| H10 | C13 | C14 | H12 | 178.2° | 55.0° |
| H10 | C13 | C14 | H13 | 58.3° | 65.0° |
| H10 | C13 | N3 | H20 | 77.3° | 120.0° |
| H11 | C13 | C14 | H12 | 58.6° | 65.0° |
| H11 | C13 | C14 | H13 | 61.3° | 175.0° |
| H11 | C13 | N3 | H20 | 163.2° | 119.9° |
| H14 | C28 | C29 | H15 | 0.4° | 0.0° |
| H15 | C29 | C30 | H21 | 1.1° | 0.2° |
| H16 | C31 | C30 | H21 | 0.7° | 0.5° |
| H17 | C15 | C16 | H30 | 173.2° | 180.0° |
| H17 | C15 | C16 | H31 | 67.4° | 60.0° |
| H18 | C15 | C16 | H30 | 53.2° | 59.9° |
| H18 | C15 | C16 | H31 | 172.6° | NaN° |
| H22 | C19 | N4 | H24 | 176.9° | 63.9° |
| H23 | C19 | N4 | H24 | 64.5° | 176.1° |
| H24 | N4 | C18 | H26 | 169.5° | 64.0° |
| H24 | N4 | C18 | H27 | 71.5° | 176.1° |
| H26 | C18 | C17 | H28 | 178.6° | 180.0° |
| H26 | C18 | C17 | H29 | 58.9° | 60.0° |
| H27 | C18 | C17 | H28 | 62.5° | 60.1° |
| H27 | C18 | C17 | H29 | 177.8° | 180.0° |
| H28 | C17 | C16 | H30 | 180.0° | 60.0° |
| H28 | C17 | C16 | H31 | 60.7° | 180.0° |
| H29 | C17 | C16 | H30 | 60.3° | 180.0° |
| H29 | C17 | C16 | H31 | 179.6° | 60.0° |
