A1BZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | N1 | sing | 1.47Å | 1.47Å | |
| C18 | N2 | sing | 1.47Å | 1.46Å | |
| C16 | N1 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| N6 | N5 | sing | 1.29Å | 1.32Å | Aromatic |
| N6 | N7 | doub | 1.29Å | 1.31Å | Aromatic |
| N5 | C31 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | C19 | sing | 1.38Å | 1.43Å | |
| C13 | N | sing | 1.47Å | 1.47Å | |
| N3 | C19 | doub | 1.31Å | 1.34Å | Aromatic |
| N3 | C20 | sing | 1.34Å | 1.37Å | Aromatic |
| N | C12 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C30 | sing | 1.46Å | 1.45Å | Aromatic |
| N7 | N8 | sing | 1.29Å | 1.33Å | Aromatic |
| CL | C | sing | 1.74Å | 1.73Å | |
| C31 | C22 | sing | 1.48Å | 1.48Å | |
| C31 | N8 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | C25 | sing | 1.42Å | 1.41Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C2 | sing | 1.51Å | 1.51Å | |
| C | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.42Å | Aromatic |
| C30 | C26 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.37Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.36Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| N | H29 | sing | 1.01Å | 1.00Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | N1 | 112.5° | 109.5° |
| C17 | C18 | N2 | 111.4° | 109.4° |
| C18 | C17 | H23 | 108.7° | 109.5° |
| C18 | C17 | H24 | 108.7° | 109.5° |
| C17 | C18 | H25 | 109.0° | 109.5° |
| C17 | C18 | H26 | 109.0° | 109.5° |
| C17 | N1 | C16 | 112.7° | 111.0° |
| C17 | N1 | H2 | 108.7° | 111.0° |
| N1 | C17 | H23 | 108.7° | 109.4° |
| N1 | C17 | H24 | 108.7° | 109.5° |
| C18 | N2 | C19 | 123.1° | 120.0° |
| C18 | N2 | H6 | 106.0° | 120.0° |
| N2 | C18 | H25 | 109.0° | 109.4° |
| N2 | C18 | H26 | 109.0° | 109.5° |
| N1 | C16 | C15 | 111.9° | 109.5° |
| C16 | N1 | H2 | 108.6° | 111.0° |
| N1 | C16 | H21 | 108.8° | 109.4° |
| N1 | C16 | H22 | 108.8° | 109.4° |
| C16 | C15 | C14 | 116.4° | 109.5° |
| C16 | C15 | H19 | 107.7° | 109.4° |
| C16 | C15 | H20 | 107.7° | 109.5° |
| C15 | C16 | H21 | 108.9° | 109.5° |
| C15 | C16 | H22 | 108.9° | 109.5° |
| C15 | C14 | C13 | 109.5° | 109.5° |
| C15 | C14 | H17 | 109.5° | 109.5° |
| C15 | C14 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 107.7° | 109.5° |
| C14 | C15 | H20 | 107.7° | 109.5° |
| C14 | C13 | N | 113.1° | 109.5° |
| C14 | C13 | H15 | 108.6° | 109.5° |
| C14 | C13 | H16 | 108.5° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C13 | C14 | H18 | 109.4° | 109.5° |
| N5 | N6 | N7 | 106.6° | 109.1° |
| N6 | N5 | C31 | 105.3° | 107.1° |
| N6 | N5 | H10 | 127.3° | 126.5° |
| N6 | N7 | N8 | 114.3° | 109.6° |
| N5 | C31 | C22 | 124.0° | 126.8° |
| N5 | C31 | N8 | 113.1° | 106.4° |
| C31 | N5 | H10 | 127.3° | 126.5° |
| N2 | C19 | N3 | 117.8° | 119.7° |
| N2 | C19 | C30 | 119.7° | 119.7° |
| C19 | N2 | H6 | 106.0° | 120.0° |
| C13 | N | C12 | 110.6° | 111.0° |
| N | C13 | H15 | 108.5° | 109.5° |
| N | C13 | H16 | 108.6° | 109.4° |
| C13 | N | H29 | 109.2° | 111.0° |
| C19 | N3 | C20 | 119.5° | 123.4° |
| N3 | C19 | C30 | 122.5° | 120.6° |
| N3 | C20 | C21 | 117.8° | 120.1° |
| N3 | C20 | C25 | 122.8° | 121.1° |
| N | C12 | C2 | 112.9° | 109.5° |
| N | C12 | H13 | 108.6° | 109.5° |
| N | C12 | H14 | 108.6° | 109.5° |
| C12 | N | H29 | 109.2° | 111.0° |
| C20 | C21 | C22 | 120.7° | 119.8° |
| C21 | C20 | C25 | 119.4° | 118.9° |
| C20 | C21 | H27 | 119.7° | 120.1° |
| C21 | C22 | C31 | 120.4° | 119.8° |
| C21 | C22 | C23 | 119.3° | 120.5° |
| C22 | C21 | H27 | 119.6° | 120.1° |
| C19 | C30 | C29 | 124.9° | 123.0° |
| C19 | C30 | C26 | 117.2° | 118.7° |
| N7 | N8 | C31 | 100.7° | 107.8° |
| CL | C | C1 | 117.1° | 120.1° |
| CL | C | C5 | 121.0° | 120.1° |
| C22 | C31 | N8 | 122.6° | 126.8° |
| C31 | C22 | C23 | 120.3° | 119.8° |
| C20 | C25 | C26 | 118.1° | 118.5° |
| C20 | C25 | C24 | 118.0° | 120.3° |
| C | C1 | C2 | 120.4° | 120.1° |
| C1 | C | C5 | 121.9° | 119.9° |
| C | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | C12 | 120.3° | 119.8° |
| C1 | C2 | C3 | 118.5° | 120.3° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C8 | C7 | C6 | 120.7° | 119.9° |
| C7 | C8 | C9 | 120.2° | 120.1° |
| C8 | C7 | H7 | 119.7° | 120.1° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C7 | C6 | C5 | 121.0° | 120.1° |
| C7 | C6 | C11 | 118.3° | 119.8° |
| C6 | C7 | H7 | 119.6° | 120.0° |
| C12 | C2 | C3 | 121.2° | 119.8° |
| C2 | C12 | H13 | 108.6° | 109.5° |
| C2 | C12 | H14 | 108.6° | 109.4° |
| C | C5 | C6 | 124.3° | 120.1° |
| C | C5 | C4 | 117.2° | 119.7° |
| C8 | C9 | C10 | 119.8° | 120.2° |
| C9 | C8 | H8 | 119.9° | 119.9° |
| C8 | C9 | H9 | 120.1° | 119.9° |
| C22 | C23 | C24 | 121.0° | 120.4° |
| C22 | C23 | H28 | 119.5° | 119.7° |
| C2 | C3 | C4 | 121.2° | 120.1° |
| C2 | C3 | H4 | 119.4° | 120.0° |
| C6 | C5 | C4 | 118.5° | 120.1° |
| C5 | C6 | C11 | 120.7° | 120.1° |
| C5 | C4 | C3 | 120.8° | 119.9° |
| C5 | C4 | H5 | 119.6° | 120.0° |
| C29 | C30 | C26 | 117.9° | 118.3° |
| C30 | C29 | C28 | 119.1° | 118.5° |
| C30 | C29 | H31 | 120.4° | 120.7° |
| C30 | C26 | C25 | 119.8° | 117.7° |
| C30 | C26 | C27 | 116.9° | 119.0° |
| C4 | C3 | H4 | 119.4° | 119.9° |
| C3 | C4 | H5 | 119.6° | 120.1° |
| C6 | C11 | C10 | 120.8° | 119.9° |
| C6 | C11 | H12 | 119.6° | 120.0° |
| C26 | C25 | C24 | 123.9° | 121.3° |
| C25 | C26 | C27 | 123.2° | 123.2° |
| C25 | C24 | C23 | 121.6° | 120.2° |
| C25 | C24 | H34 | 119.2° | 119.9° |
| C29 | C28 | N4 | 124.2° | 121.8° |
| C28 | C29 | H31 | 120.5° | 120.8° |
| C29 | C28 | H32 | 117.9° | 119.1° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C10 | C9 | H9 | 120.1° | 119.9° |
| C9 | C10 | H11 | 119.9° | 119.9° |
| C24 | C23 | H28 | 119.5° | 119.8° |
| C23 | C24 | H34 | 119.2° | 119.9° |
| C26 | C27 | N4 | 124.3° | 119.7° |
| C26 | C27 | H33 | 117.9° | 120.1° |
| C11 | C10 | H11 | 119.9° | 119.9° |
| C10 | C11 | H12 | 119.6° | 120.1° |
| C28 | N4 | C27 | 117.7° | 122.6° |
| N4 | C28 | H32 | 117.9° | 119.1° |
| N4 | C27 | H33 | 117.9° | 120.2° |
| H13 | C12 | H14 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.4° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.4° |
| H25 | C18 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | N1 | H23 | 120.4° | 120.0° |
| C18 | C17 | N1 | H24 | 120.5° | 120.1° |
| C17 | C18 | N2 | H25 | 120.3° | 120.0° |
| C17 | C18 | N2 | H26 | 120.3° | 120.0° |
| C18 | C17 | N1 | C16 | 175.4° | 180.0° |
| C17 | C18 | N2 | C19 | 75.6° | 180.0° |
| C18 | C17 | N1 | H2 | 64.1° | 56.0° |
| C17 | C18 | N2 | H6 | 46.3° | 0.0° |
| C18 | C17 | H23 | H24 | 118.6° | 120.1° |
| C17 | C18 | H25 | H26 | 119.1° | 120.0° |
| N1 | C17 | C18 | N2 | 64.7° | 180.0° |
| C17 | N1 | C16 | H2 | 120.5° | 124.0° |
| C17 | N1 | C16 | C15 | 166.2° | 180.0° |
| C17 | N1 | C16 | H21 | 45.9° | 59.9° |
| C17 | N1 | C16 | H22 | 73.4° | 60.0° |
| N1 | C17 | H23 | H24 | 118.6° | 120.0° |
| N1 | C17 | C18 | H25 | 55.6° | 60.0° |
| N1 | C17 | C18 | H26 | 175.0° | 60.1° |
| C18 | N2 | C19 | H6 | 121.9° | 180.0° |
| C18 | N2 | C19 | N3 | 2.6° | 0.0° |
| C18 | N2 | C19 | C30 | 178.9° | 180.0° |
| N2 | C18 | C17 | H23 | 55.8° | 60.0° |
| N2 | C18 | C17 | H24 | 174.9° | 60.0° |
| N2 | C18 | H25 | H26 | 119.1° | 120.0° |
| N1 | C16 | C15 | H21 | 120.3° | 120.0° |
| N1 | C16 | C15 | H22 | 120.3° | 120.0° |
| N1 | C16 | C15 | C14 | 178.1° | 180.0° |
| N1 | C16 | C15 | H19 | 60.9° | 60.0° |
| N1 | C16 | C15 | H20 | 57.1° | 60.0° |
| N1 | C16 | H21 | H22 | 118.9° | 119.9° |
| C16 | N1 | C17 | H23 | 55.0° | 60.0° |
| C16 | N1 | C17 | H24 | 64.1° | 59.9° |
| C16 | C15 | C14 | H19 | 121.0° | 120.0° |
| C16 | C15 | C14 | H20 | 121.0° | 120.0° |
| C16 | C15 | C14 | C13 | 175.2° | 180.0° |
| C15 | C16 | N1 | H2 | 73.3° | 56.1° |
| C16 | C15 | C14 | H17 | 55.2° | 60.0° |
| C16 | C15 | C14 | H18 | 64.8° | 60.0° |
| C16 | C15 | H19 | H20 | 116.9° | 119.9° |
| C15 | C16 | H21 | H22 | 118.9° | 120.0° |
| C15 | C14 | C13 | H17 | 120.0° | 120.0° |
| C15 | C14 | C13 | H18 | 120.0° | 120.0° |
| C15 | C14 | C13 | N | 176.8° | 180.0° |
| C15 | C14 | C13 | H15 | 62.7° | 60.0° |
| C15 | C14 | C13 | H16 | 56.2° | 60.0° |
| C15 | C14 | H17 | H18 | 120.0° | 120.0° |
| C14 | C15 | H19 | H20 | 116.8° | 120.0° |
| C14 | C15 | C16 | H21 | 57.8° | 60.0° |
| C14 | C15 | C16 | H22 | 61.5° | 60.0° |
| C14 | C13 | N | H15 | 120.6° | 120.0° |
| C14 | C13 | N | H16 | 120.6° | 120.0° |
| C14 | C13 | N | C12 | 166.2° | 180.0° |
| C14 | C13 | H15 | H16 | 118.3° | 120.0° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | C15 | H19 | 63.8° | 60.0° |
| C13 | C14 | C15 | H20 | 54.2° | 60.0° |
| C14 | C13 | N | H29 | 46.0° | 56.0° |
| N6 | N5 | C31 | H10 | 180.0° | 179.7° |
| N5 | N6 | N7 | N8 | 0.2° | 0.4° |
| N6 | N5 | C31 | C22 | 174.8° | 179.8° |
| N6 | N5 | C31 | N8 | 1.1° | 0.3° |
| N7 | N6 | N5 | C31 | 0.7° | 0.4° |
| N6 | N7 | N8 | C31 | 0.5° | 0.2° |
| N7 | N6 | N5 | H10 | 179.3° | 179.9° |
| N5 | C31 | C22 | C21 | 14.9° | 180.0° |
| N5 | C31 | N8 | N7 | 0.9° | 0.0° |
| N5 | C31 | C22 | N8 | 173.1° | 180.0° |
| N5 | C31 | C22 | C23 | 163.9° | 0.0° |
| N2 | C19 | N3 | C30 | 178.5° | 179.9° |
| N2 | C19 | N3 | C20 | 177.2° | 180.0° |
| N2 | C19 | C30 | C29 | 6.3° | 0.0° |
| N2 | C19 | C30 | C26 | 175.5° | 180.0° |
| C19 | N2 | C18 | H25 | 164.1° | 60.0° |
| C19 | N2 | C18 | H26 | 44.7° | 60.0° |
| C13 | N | C12 | H29 | 120.2° | 124.0° |
| C13 | N | C12 | C2 | 179.5° | 180.0° |
| C13 | N | C12 | H13 | 60.0° | 60.0° |
| C13 | N | C12 | H14 | 58.9° | 60.0° |
| N | C13 | H15 | H16 | 118.3° | 120.0° |
| N | C13 | C14 | H17 | 56.8° | 60.0° |
| N | C13 | C14 | H18 | 63.2° | 60.0° |
| C19 | N3 | C20 | C21 | 179.7° | 179.9° |
| C19 | N3 | C20 | C25 | 1.4° | 0.0° |
| N3 | C19 | C30 | C29 | 175.2° | 180.0° |
| N3 | C19 | C30 | C26 | 3.0° | 0.0° |
| N3 | C19 | N2 | H6 | 119.3° | 180.0° |
| N3 | C20 | C21 | C25 | 179.0° | 180.0° |
| N3 | C20 | C21 | C22 | 176.8° | 180.0° |
| C20 | N3 | C19 | C30 | 1.3° | 0.1° |
| N3 | C20 | C25 | C26 | 2.2° | 0.0° |
| N3 | C20 | C25 | C24 | 178.0° | 180.0° |
| N3 | C20 | C21 | H27 | 3.2° | 0.1° |
| N | C12 | C2 | C1 | 108.2° | 90.0° |
| N | C12 | C2 | H13 | 120.5° | 120.0° |
| N | C12 | C2 | H14 | 120.5° | 120.0° |
| N | C12 | C2 | C3 | 72.0° | 90.0° |
| N | C12 | H13 | H14 | 118.4° | 120.0° |
| C12 | N | C13 | H15 | 73.2° | 60.0° |
| C12 | N | C13 | H16 | 45.6° | 60.0° |
| C20 | C21 | C22 | H27 | 180.0° | 179.9° |
| C20 | C21 | C22 | C31 | 178.9° | 180.0° |
| C20 | C21 | C22 | C23 | 2.3° | 0.1° |
| C21 | C20 | C25 | C26 | 178.9° | 180.0° |
| C21 | C20 | C25 | C24 | 0.9° | 0.0° |
| C21 | C22 | C31 | C23 | 178.8° | 179.9° |
| C21 | C22 | C31 | N8 | 158.2° | 0.0° |
| C22 | C21 | C20 | C25 | 2.2° | 0.0° |
| C21 | C22 | C23 | C24 | 1.2° | 0.1° |
| C21 | C22 | C23 | H28 | 178.8° | 179.9° |
| C19 | C30 | C29 | C26 | 178.2° | 180.0° |
| C19 | C30 | C26 | C25 | 2.1° | 0.0° |
| C19 | C30 | C29 | C28 | 178.6° | 180.0° |
| C19 | C30 | C26 | C27 | 179.8° | 180.0° |
| C30 | C19 | N2 | H6 | 59.3° | 0.0° |
| C19 | C30 | C29 | H31 | 1.4° | 0.0° |
| N7 | N8 | C31 | C22 | 174.7° | 180.0° |
| CL | C | C1 | C5 | 178.4° | 180.0° |
| CL | C | C1 | C2 | 177.3° | 180.0° |
| CL | C | C5 | C6 | 1.2° | 0.0° |
| CL | C | C5 | C4 | 177.9° | 179.9° |
| CL | C | C1 | H1 | 2.7° | 0.3° |
| C31 | C22 | C23 | C24 | 180.0° | 180.0° |
| C22 | C31 | N5 | H10 | 5.2° | 0.0° |
| C31 | C22 | C21 | H27 | 1.1° | 0.1° |
| C31 | C22 | C23 | H28 | 0.1° | 0.0° |
| N8 | C31 | C22 | C23 | 23.0° | 179.9° |
| N8 | C31 | N5 | H10 | 178.9° | 180.0° |
| C20 | C25 | C26 | C30 | 0.4° | 0.1° |
| C20 | C25 | C26 | C24 | 179.8° | 180.0° |
| C20 | C25 | C24 | C23 | 0.1° | 0.1° |
| C20 | C25 | C26 | C27 | 177.6° | 180.0° |
| C25 | C20 | C21 | H27 | 177.8° | 180.0° |
| C20 | C25 | C24 | H34 | 179.9° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 179.7° |
| C | C1 | C2 | C12 | 178.8° | 180.0° |
| C | C1 | C2 | C3 | 1.1° | 0.1° |
| C1 | C | C5 | C6 | 179.6° | 180.0° |
| C1 | C | C5 | C4 | 0.5° | 0.0° |
| C1 | C2 | C12 | C3 | 179.9° | 180.0° |
| C2 | C1 | C | C5 | 1.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H4 | 179.6° | 180.0° |
| C1 | C2 | C12 | H13 | 12.3° | 150.0° |
| C1 | C2 | C12 | H14 | 131.3° | 30.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 177.0° | 180.0° |
| C8 | C7 | C6 | C11 | 1.3° | 0.3° |
| C7 | C8 | C9 | C10 | 0.4° | 0.1° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| C7 | C6 | C5 | C | 72.7° | 130.3° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C5 | C11 | 178.3° | 179.7° |
| C7 | C6 | C5 | C4 | 108.2° | 49.6° |
| C7 | C6 | C11 | C10 | 1.3° | 0.6° |
| C6 | C7 | C8 | H8 | 179.5° | 179.9° |
| C7 | C6 | C11 | H12 | 178.7° | 179.7° |
| C12 | C2 | C3 | C4 | 179.5° | 179.9° |
| C12 | C2 | C1 | H1 | 1.2° | 0.3° |
| C12 | C2 | C3 | H4 | 0.5° | 0.0° |
| C2 | C12 | H13 | H14 | 118.5° | 120.0° |
| C2 | C12 | N | H29 | 59.3° | 56.0° |
| C | C5 | C6 | C4 | 179.1° | 179.9° |
| C | C5 | C4 | C3 | 0.2° | 0.1° |
| C | C5 | C6 | C11 | 105.6° | 50.0° |
| C5 | C | C1 | H1 | 178.9° | 179.7° |
| C | C5 | C4 | H5 | 179.8° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.5° | 0.2° |
| C9 | C8 | C7 | H7 | 179.5° | 179.9° |
| C8 | C9 | C10 | H11 | 179.5° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C22 | C23 | C24 | H28 | 180.0° | 180.0° |
| C23 | C22 | C21 | H27 | 177.7° | 180.0° |
| C22 | C23 | C24 | H34 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 178.9° | 179.7° |
| C2 | C3 | C4 | H5 | 179.8° | 180.0° |
| C3 | C2 | C12 | H13 | 167.5° | 30.0° |
| C3 | C2 | C12 | H14 | 48.6° | 150.0° |
| C6 | C5 | C4 | C3 | 179.0° | 180.0° |
| C5 | C6 | C11 | C10 | 177.1° | 179.7° |
| C6 | C5 | C4 | H5 | 1.0° | 0.1° |
| C5 | C6 | C7 | H7 | 3.0° | 0.1° |
| C5 | C6 | C11 | H12 | 2.9° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C11 | 73.5° | 130.0° |
| C5 | C4 | C3 | H4 | 179.7° | 180.0° |
| C29 | C30 | C26 | C25 | 176.3° | 180.0° |
| C30 | C29 | C28 | H31 | 180.0° | 180.0° |
| C29 | C30 | C26 | C27 | 1.8° | 0.0° |
| C30 | C29 | C28 | N4 | 1.0° | 0.0° |
| C30 | C29 | C28 | H32 | 179.1° | 179.9° |
| C30 | C26 | C25 | C27 | 178.0° | 180.0° |
| C30 | C26 | C25 | C24 | 179.8° | 180.0° |
| C26 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C26 | C27 | N4 | 2.3° | 0.0° |
| C26 | C30 | C29 | H31 | 179.7° | 180.0° |
| C30 | C26 | C27 | H33 | 177.7° | 180.0° |
| C6 | C11 | C10 | C9 | 0.4° | 0.6° |
| C6 | C11 | C10 | H12 | 180.0° | 179.7° |
| C11 | C6 | C7 | H7 | 178.6° | 179.7° |
| C6 | C11 | C10 | H11 | 179.6° | 179.7° |
| C26 | C25 | C24 | C23 | 179.9° | 180.0° |
| C25 | C26 | C27 | N4 | 175.7° | 180.0° |
| C25 | C26 | C27 | H33 | 4.3° | 0.0° |
| C26 | C25 | C24 | H34 | 0.1° | 0.1° |
| C25 | C24 | C23 | H34 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 2.2° | 0.0° |
| C25 | C24 | C23 | H28 | 180.0° | 179.9° |
| C29 | C28 | N4 | H32 | 180.0° | 179.9° |
| C29 | C28 | N4 | C27 | 0.6° | 0.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.7° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C9 | C10 | C11 | H12 | 179.6° | 179.7° |
| C26 | C27 | N4 | C28 | 1.1° | 0.0° |
| C26 | C27 | N4 | H33 | 180.0° | 180.0° |
| C11 | C10 | C9 | H9 | 179.5° | 179.7° |
| N4 | C28 | C29 | H31 | 179.0° | 180.0° |
| C28 | N4 | C27 | H33 | 178.9° | 180.0° |
| C27 | N4 | C28 | H32 | 179.4° | 179.9° |
| H2 | N1 | C16 | H21 | 166.4° | 176.1° |
| H2 | N1 | C16 | H22 | 47.1° | 64.0° |
| H2 | N1 | C17 | H23 | 175.5° | 64.0° |
| H2 | N1 | C17 | H24 | 56.3° | 176.0° |
| H4 | C3 | C4 | H5 | 0.2° | 0.1° |
| H6 | N2 | C18 | H25 | 74.0° | 120.0° |
| H6 | N2 | C18 | H26 | 166.6° | 120.0° |
| H7 | C7 | C8 | H8 | 0.5° | 0.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.1° |
| H9 | C9 | C10 | H11 | 0.5° | 0.0° |
| H11 | C10 | C11 | H12 | 0.4° | 0.0° |
| H13 | C12 | N | H29 | 179.8° | 64.0° |
| H14 | C12 | N | H29 | 61.2° | 176.0° |
| H15 | C13 | C14 | H17 | 177.3° | 60.0° |
| H15 | C13 | C14 | H18 | 57.3° | NaN° |
| H15 | C13 | N | H29 | 166.6° | 176.1° |
| H16 | C13 | C14 | H17 | 63.8° | 180.0° |
| H16 | C13 | C14 | H18 | 176.2° | 60.0° |
| H16 | C13 | N | H29 | 74.5° | 64.0° |
| H17 | C14 | C15 | H19 | 176.2° | 180.0° |
| H17 | C14 | C15 | H20 | 65.8° | 60.0° |
| H18 | C14 | C15 | H19 | 56.2° | 60.0° |
| H18 | C14 | C15 | H20 | 174.2° | 180.0° |
| H19 | C15 | C16 | H21 | 178.8° | 60.0° |
| H19 | C15 | C16 | H22 | 59.4° | 180.0° |
| H20 | C15 | C16 | H21 | 63.2° | 180.0° |
| H20 | C15 | C16 | H22 | 177.5° | 60.0° |
| H23 | C17 | C18 | H25 | 176.1° | 59.9° |
| H23 | C17 | C18 | H26 | 64.5° | 180.0° |
| H24 | C17 | C18 | H25 | 64.8° | 180.0° |
| H24 | C17 | C18 | H26 | 54.6° | 60.0° |
| H28 | C23 | C24 | H34 | 0.0° | 0.0° |
| H31 | C29 | C28 | H32 | 0.9° | 0.1° |
