A1AC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | O03 | sing | 1.43Å | 1.39Å | |
| C32 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| O05 | N09 | sing | 1.22Å | 1.40Å | |
| O06 | N09 | doub | 1.22Å | 1.17Å | |
| C25 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C15 | sing | 1.51Å | 1.53Å | |
| N09 | C33 | sing | 1.34Å | 1.44Å | |
| O03 | C29 | sing | 1.35Å | 1.40Å | |
| C15 | N07 | sing | 1.47Å | 1.32Å | |
| O04 | C29 | doub | 1.22Å | 1.18Å | |
| C29 | C20 | sing | 1.41Å | 1.53Å | |
| C33 | C27 | doub | 1.41Å | 1.38Å | Aromatic |
| C33 | C36 | sing | 1.41Å | 1.38Å | Aromatic |
| N07 | C12 | sing | 1.47Å | 1.31Å | |
| N07 | C14 | sing | 1.47Å | 1.31Å | |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C30 | C23 | sing | 1.51Å | 1.52Å | |
| C20 | C23 | doub | 1.34Å | 1.30Å | |
| C20 | C16 | sing | 1.50Å | 1.54Å | |
| C22 | C16 | sing | 1.51Å | 1.53Å | |
| C22 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | N08 | sing | 1.37Å | 1.44Å | |
| C10 | O01 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.50Å | 1.53Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| O01 | C18 | sing | 1.35Å | 1.40Å | |
| N08 | C21 | sing | 1.37Å | 1.43Å | |
| C18 | C17 | sing | 1.41Å | 1.52Å | |
| C18 | O02 | doub | 1.22Å | 1.18Å | |
| C17 | C21 | doub | 1.34Å | 1.31Å | |
| C21 | C26 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| N08 | H36 | sing | 0.97Å | 1.00Å | |
| O05 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C35 | C32 | 119.9° | 120.0° |
| C35 | C31 | C24 | 119.9° | 120.0° |
| C35 | C31 | H27 | 120.0° | 120.0° |
| C31 | C35 | H30 | 120.1° | 120.0° |
| C35 | C32 | C25 | 120.0° | 120.1° |
| C35 | C32 | H28 | 120.0° | 120.0° |
| C32 | C35 | H30 | 120.0° | 120.0° |
| C31 | C24 | C19 | 120.5° | 120.0° |
| C31 | C24 | H17 | 119.8° | 120.0° |
| C24 | C31 | H27 | 120.0° | 120.0° |
| C37 | O03 | C29 | 114.7° | 117.0° |
| O03 | C37 | H32 | 109.5° | 109.5° |
| O03 | C37 | H33 | 109.5° | 109.5° |
| O03 | C37 | H34 | 109.4° | 109.5° |
| C32 | C25 | C19 | 120.5° | 119.9° |
| C32 | C25 | H18 | 119.8° | 120.1° |
| C25 | C32 | H28 | 120.0° | 120.0° |
| C24 | C19 | C25 | 119.2° | 120.0° |
| C24 | C19 | C15 | 120.3° | 120.0° |
| C19 | C24 | H17 | 119.7° | 120.0° |
| O05 | N09 | O06 | 120.6° | 120.0° |
| O05 | N09 | C33 | 119.1° | 120.0° |
| N09 | O05 | H35 | 109.5° | 117.0° |
| O06 | N09 | C33 | 120.2° | 120.0° |
| C25 | C19 | C15 | 120.5° | 120.0° |
| C19 | C25 | H18 | 119.7° | 120.0° |
| C19 | C15 | N07 | 115.5° | 109.5° |
| C19 | C15 | H10 | 107.9° | 109.5° |
| C19 | C15 | H11 | 107.9° | 109.5° |
| N09 | C33 | C27 | 119.2° | 120.2° |
| N09 | C33 | C36 | 120.5° | 120.3° |
| O03 | C29 | O04 | 120.6° | 120.0° |
| O03 | C29 | C20 | 119.1° | 120.0° |
| C15 | N07 | C12 | 111.6° | 111.0° |
| C15 | N07 | C14 | 113.3° | 111.0° |
| N07 | C15 | H10 | 107.9° | 109.4° |
| N07 | C15 | H11 | 107.9° | 109.5° |
| O04 | C29 | C20 | 120.3° | 120.0° |
| C29 | C20 | C23 | 115.4° | 119.3° |
| C29 | C20 | C16 | 126.7° | 119.3° |
| C27 | C33 | C36 | 120.3° | 119.5° |
| C33 | C27 | C22 | 120.6° | 119.8° |
| C33 | C27 | H22 | 119.7° | 120.1° |
| C33 | C36 | C34 | 119.0° | 119.8° |
| C33 | C36 | H31 | 120.5° | 120.1° |
| C12 | N07 | C14 | 111.2° | 111.2° |
| N07 | C12 | C10 | 108.8° | 109.5° |
| N07 | C12 | H4 | 109.6° | 109.4° |
| N07 | C12 | H5 | 109.6° | 109.4° |
| N07 | C14 | C13 | 111.7° | 109.5° |
| N07 | C14 | H8 | 108.9° | 109.5° |
| N07 | C14 | H9 | 108.9° | 109.4° |
| C27 | C22 | C16 | 122.6° | 119.9° |
| C27 | C22 | C28 | 119.3° | 120.2° |
| C22 | C27 | H22 | 119.7° | 120.1° |
| C36 | C34 | C28 | 121.0° | 120.3° |
| C36 | C34 | H29 | 119.5° | 119.9° |
| C34 | C36 | H31 | 120.5° | 120.1° |
| C12 | C10 | O01 | 110.6° | 109.5° |
| C12 | C10 | C11 | 107.9° | 109.3° |
| C12 | C10 | H1 | 108.7° | 109.5° |
| C10 | C12 | H4 | 109.6° | 109.5° |
| C10 | C12 | H5 | 109.6° | 109.4° |
| C14 | C13 | C11 | 108.6° | 109.3° |
| C14 | C13 | H6 | 109.7° | 109.5° |
| C14 | C13 | H7 | 109.7° | 109.6° |
| C13 | C14 | H8 | 108.9° | 109.5° |
| C13 | C14 | H9 | 108.9° | 109.4° |
| C30 | C23 | C20 | 117.0° | 119.6° |
| C30 | C23 | N08 | 120.2° | 119.6° |
| C23 | C30 | H24 | 109.5° | 109.5° |
| C23 | C30 | H25 | 109.5° | 109.5° |
| C23 | C30 | H26 | 109.5° | 109.5° |
| C23 | C20 | C16 | 117.1° | 121.4° |
| C20 | C23 | N08 | 119.2° | 120.8° |
| C20 | C16 | C22 | 116.2° | 109.2° |
| C20 | C16 | C17 | 106.5° | 110.7° |
| C20 | C16 | H12 | 108.7° | 109.2° |
| C16 | C22 | C28 | 118.1° | 119.9° |
| C22 | C16 | C17 | 107.8° | 109.3° |
| C22 | C16 | H12 | 108.7° | 109.3° |
| C22 | C28 | C34 | 119.8° | 120.4° |
| C22 | C28 | H23 | 120.1° | 119.8° |
| C34 | C28 | H23 | 120.1° | 119.8° |
| C28 | C34 | H29 | 119.5° | 119.9° |
| C23 | N08 | C21 | 119.4° | 120.3° |
| C23 | N08 | H36 | 120.3° | 119.9° |
| O01 | C10 | C11 | 110.5° | 109.5° |
| C10 | O01 | C18 | 110.9° | 117.0° |
| O01 | C10 | H1 | 110.4° | 109.5° |
| C10 | C11 | C13 | 105.8° | 109.2° |
| C11 | C10 | H1 | 108.7° | 109.5° |
| C10 | C11 | H2 | 110.4° | 109.5° |
| C10 | C11 | H3 | 110.4° | 109.5° |
| C16 | C17 | C18 | 118.1° | 119.3° |
| C16 | C17 | C21 | 117.3° | 121.4° |
| C17 | C16 | H12 | 108.8° | 109.2° |
| C13 | C11 | H2 | 110.4° | 109.6° |
| C13 | C11 | H3 | 110.4° | 109.6° |
| C11 | C13 | H6 | 109.7° | 109.5° |
| C11 | C13 | H7 | 109.7° | 109.5° |
| O01 | C18 | C17 | 120.5° | 120.0° |
| O01 | C18 | O02 | 120.1° | 120.0° |
| N08 | C21 | C17 | 116.0° | 120.8° |
| N08 | C21 | C26 | 119.3° | 119.6° |
| C21 | N08 | H36 | 120.3° | 119.8° |
| C17 | C18 | O02 | 119.4° | 120.0° |
| C18 | C17 | C21 | 117.0° | 119.3° |
| C17 | C21 | C26 | 119.5° | 119.6° |
| C21 | C26 | H19 | 109.5° | 109.4° |
| C21 | C26 | H20 | 109.5° | 109.4° |
| C21 | C26 | H21 | 109.5° | 109.4° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.4° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.5° |
| H24 | C30 | H25 | 109.4° | 109.5° |
| H24 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.4° |
| H32 | C37 | H33 | 109.4° | 109.5° |
| H32 | C37 | H34 | 109.5° | 109.5° |
| H33 | C37 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C35 | C32 | H30 | 180.0° | 179.7° |
| C35 | C31 | C24 | H27 | 180.0° | 180.0° |
| C31 | C35 | C32 | C25 | 0.2° | 0.4° |
| C35 | C31 | C24 | C19 | 0.8° | 0.0° |
| C35 | C31 | C24 | H17 | 179.2° | 180.0° |
| C31 | C35 | C32 | H28 | 179.9° | 179.7° |
| C32 | C35 | C31 | C24 | 0.2° | 0.3° |
| C35 | C32 | C25 | H28 | 180.0° | 179.9° |
| C35 | C32 | C25 | C19 | 0.8° | 0.1° |
| C35 | C32 | C25 | H18 | 179.3° | 179.9° |
| C32 | C35 | C31 | H27 | 179.8° | 179.7° |
| C31 | C24 | C19 | H17 | 180.0° | 180.0° |
| C31 | C24 | C19 | C25 | 1.3° | 0.3° |
| C31 | C24 | C19 | C15 | 179.8° | 180.0° |
| C24 | C31 | C35 | H30 | 179.8° | 179.9° |
| C37 | O03 | C29 | O04 | 2.2° | 0.1° |
| C37 | O03 | C29 | C20 | 179.4° | 180.0° |
| O03 | C37 | H32 | H33 | 120.0° | 120.0° |
| O03 | C37 | H32 | H34 | 120.0° | 120.0° |
| O03 | C37 | H33 | H34 | 120.0° | 120.0° |
| C32 | C25 | C19 | C24 | 1.3° | 0.2° |
| C32 | C25 | C19 | H18 | 180.0° | 180.0° |
| C32 | C25 | C19 | C15 | 179.8° | 180.0° |
| C25 | C32 | C35 | H30 | 179.8° | 179.9° |
| C24 | C19 | C25 | C15 | 178.5° | 179.8° |
| C24 | C19 | C15 | N07 | 100.2° | 90.0° |
| C24 | C19 | C15 | H10 | 138.9° | 150.0° |
| C24 | C19 | C15 | H11 | 20.6° | 30.0° |
| C24 | C19 | C25 | H18 | 178.7° | 179.7° |
| C19 | C24 | C31 | H27 | 179.2° | 180.0° |
| O05 | N09 | O06 | C33 | 179.0° | 180.0° |
| O05 | N09 | C33 | C27 | 7.7° | 180.0° |
| O05 | N09 | C33 | C36 | 172.4° | 0.0° |
| O06 | N09 | C33 | C27 | 171.4° | 0.0° |
| O06 | N09 | C33 | C36 | 8.5° | 180.0° |
| O06 | N09 | O05 | H35 | 0.0° | 0.0° |
| C25 | C19 | C15 | N07 | 81.3° | 90.3° |
| C25 | C19 | C15 | H10 | 39.6° | 29.7° |
| C25 | C19 | C15 | H11 | 157.8° | 149.7° |
| C25 | C19 | C24 | H17 | 178.7° | 179.7° |
| C19 | C25 | C32 | H28 | 179.3° | 180.0° |
| C19 | C15 | N07 | H10 | 120.9° | 120.0° |
| C19 | C15 | N07 | H11 | 120.9° | 120.0° |
| C19 | C15 | N07 | C12 | 84.0° | 170.0° |
| C19 | C15 | N07 | C14 | 42.5° | 65.8° |
| C19 | C15 | H10 | H11 | 117.2° | 120.0° |
| C15 | C19 | C24 | H17 | 0.2° | 0.1° |
| C15 | C19 | C25 | H18 | 0.2° | 0.0° |
| N09 | C33 | C27 | C36 | 179.9° | 180.0° |
| N09 | C33 | C27 | C22 | 178.8° | 180.0° |
| N09 | C33 | C36 | C34 | 179.6° | 179.7° |
| N09 | C33 | C27 | H22 | 1.2° | 0.0° |
| N09 | C33 | C36 | H31 | 0.4° | 0.1° |
| C33 | N09 | O05 | H35 | 179.1° | 180.0° |
| O03 | C29 | O04 | C20 | 178.3° | 179.9° |
| O03 | C29 | C20 | C23 | 94.7° | 81.0° |
| O03 | C29 | C20 | C16 | 95.9° | 98.9° |
| C29 | O03 | C37 | H32 | 180.0° | 180.0° |
| C29 | O03 | C37 | H33 | 60.0° | 60.1° |
| C29 | O03 | C37 | H34 | 60.0° | 59.9° |
| C15 | N07 | C12 | C14 | 127.6° | 124.1° |
| C15 | N07 | C12 | C10 | 163.5° | 174.2° |
| C15 | N07 | C14 | C13 | 166.9° | 174.1° |
| C15 | N07 | C12 | H4 | 76.6° | 54.1° |
| C15 | N07 | C12 | H5 | 43.6° | 65.8° |
| C15 | N07 | C14 | H8 | 46.5° | 65.8° |
| C15 | N07 | C14 | H9 | 72.8° | 54.2° |
| N07 | C15 | H10 | H11 | 117.2° | 120.0° |
| O04 | C29 | C20 | C23 | 83.7° | 99.1° |
| O04 | C29 | C20 | C16 | 85.7° | 81.0° |
| C29 | C20 | C23 | C30 | 28.4° | 0.3° |
| C29 | C20 | C23 | C16 | 170.5° | 179.9° |
| C29 | C20 | C16 | C22 | 31.2° | 75.8° |
| C29 | C20 | C23 | N08 | 173.1° | 179.6° |
| C29 | C20 | C16 | C17 | 151.2° | 163.9° |
| C29 | C20 | C16 | H12 | 91.8° | 43.6° |
| C33 | C27 | C22 | H22 | 180.0° | 180.0° |
| C27 | C33 | C36 | C34 | 0.3° | 0.2° |
| C33 | C27 | C22 | C16 | 179.9° | 180.0° |
| C33 | C27 | C22 | C28 | 1.7° | 0.3° |
| C27 | C33 | C36 | H31 | 179.8° | 180.0° |
| C36 | C33 | C27 | C22 | 1.1° | 0.0° |
| C33 | C36 | C34 | H31 | 180.0° | 179.8° |
| C33 | C36 | C34 | C28 | 0.0° | 0.3° |
| C36 | C33 | C27 | H22 | 178.9° | 180.0° |
| C33 | C36 | C34 | H29 | 180.0° | 179.7° |
| N07 | C12 | C10 | H4 | 119.9° | 120.0° |
| N07 | C12 | C10 | H5 | 119.9° | 120.0° |
| C12 | N07 | C14 | C13 | 66.4° | 61.8° |
| N07 | C12 | C10 | O01 | 174.9° | 179.1° |
| N07 | C12 | C10 | C11 | 64.1° | 59.1° |
| N07 | C12 | C10 | H1 | 53.6° | 60.8° |
| N07 | C12 | H4 | H5 | 120.3° | 119.9° |
| C12 | N07 | C14 | H8 | 173.2° | 58.3° |
| C12 | N07 | C14 | H9 | 54.0° | 178.3° |
| C12 | N07 | C15 | H10 | 36.9° | 70.0° |
| C12 | N07 | C15 | H11 | 155.2° | 50.0° |
| C14 | N07 | C12 | C10 | 68.9° | 61.7° |
| N07 | C14 | C13 | H8 | 120.3° | 120.1° |
| N07 | C14 | C13 | H9 | 120.4° | 120.0° |
| N07 | C14 | C13 | C11 | 57.9° | 59.2° |
| C14 | N07 | C12 | H4 | 51.0° | 178.2° |
| C14 | N07 | C12 | H5 | 171.2° | 58.3° |
| N07 | C14 | C13 | H6 | 61.9° | 179.2° |
| N07 | C14 | C13 | H7 | 177.8° | 60.8° |
| N07 | C14 | H8 | H9 | 119.0° | 120.0° |
| C14 | N07 | C15 | H10 | 163.4° | 54.2° |
| C14 | N07 | C15 | H11 | 78.3° | 174.2° |
| C27 | C22 | C16 | C20 | 17.6° | 118.5° |
| C27 | C22 | C16 | C28 | 178.2° | 179.8° |
| C27 | C22 | C28 | C34 | 1.4° | 0.2° |
| C27 | C22 | C16 | C17 | 101.8° | 120.3° |
| C27 | C22 | C16 | H12 | 140.5° | 0.8° |
| C27 | C22 | C28 | H23 | 178.6° | 179.7° |
| C36 | C34 | C28 | C22 | 0.5° | 0.0° |
| C36 | C34 | C28 | H29 | 180.0° | 180.0° |
| C36 | C34 | C28 | H23 | 179.5° | 180.0° |
| C12 | C10 | O01 | C11 | 119.5° | 119.9° |
| C12 | C10 | O01 | H1 | 120.3° | 120.0° |
| C12 | C10 | C11 | H1 | 117.7° | 119.9° |
| C12 | C10 | C11 | C13 | 55.9° | 57.6° |
| C12 | C10 | O01 | C18 | 140.1° | 150.1° |
| C12 | C10 | C11 | H2 | 63.5° | 62.3° |
| C12 | C10 | C11 | H3 | 175.3° | 177.7° |
| C10 | C12 | H4 | H5 | 120.3° | 120.0° |
| C14 | C13 | C11 | C10 | 52.5° | 57.7° |
| C14 | C13 | C11 | H6 | 119.9° | 119.9° |
| C14 | C13 | C11 | H7 | 119.8° | 120.0° |
| C14 | C13 | C11 | H2 | 66.9° | 62.2° |
| C14 | C13 | C11 | H3 | 171.9° | 177.6° |
| C14 | C13 | H6 | H7 | 120.4° | 120.1° |
| C13 | C14 | H8 | H9 | 119.0° | 119.9° |
| C30 | C23 | C20 | N08 | 158.5° | 180.0° |
| C30 | C23 | C20 | C16 | 161.1° | 179.6° |
| C30 | C23 | N08 | C21 | 129.2° | 162.4° |
| C23 | C30 | H24 | H25 | 120.0° | 120.1° |
| C23 | C30 | H24 | H26 | 120.0° | 120.0° |
| C23 | C30 | H25 | H26 | 120.0° | 120.0° |
| C30 | C23 | N08 | H36 | 50.8° | 17.7° |
| C23 | C20 | C16 | C22 | 159.6° | 104.1° |
| C23 | C20 | C16 | C17 | 39.6° | 16.2° |
| C20 | C23 | N08 | C21 | 28.6° | 17.6° |
| C23 | C20 | C16 | H12 | 77.5° | 136.5° |
| C20 | C23 | C30 | H24 | 180.0° | 84.3° |
| C20 | C23 | C30 | H25 | 60.0° | 155.6° |
| C20 | C23 | C30 | H26 | 60.0° | 35.7° |
| C20 | C23 | N08 | H36 | 151.4° | 162.4° |
| C20 | C16 | C22 | C17 | 119.3° | 121.2° |
| C20 | C16 | C22 | H12 | 122.9° | 119.4° |
| C20 | C16 | C22 | C28 | 164.2° | 61.2° |
| C16 | C20 | C23 | N08 | 2.6° | 0.5° |
| C20 | C16 | C17 | H12 | 117.0° | 120.3° |
| C20 | C16 | C17 | C18 | 95.1° | 163.9° |
| C20 | C16 | C17 | C21 | 53.5° | 16.2° |
| C16 | C22 | C28 | C34 | 179.7° | 180.0° |
| C22 | C16 | C17 | H12 | 117.7° | 119.4° |
| C22 | C16 | C17 | C18 | 30.2° | 75.8° |
| C22 | C16 | C17 | C21 | 178.8° | 104.1° |
| C16 | C22 | C27 | H22 | 0.1° | 0.0° |
| C16 | C22 | C28 | H23 | 0.3° | 0.0° |
| C22 | C28 | C34 | H23 | 180.0° | 180.0° |
| C28 | C22 | C16 | C17 | 76.5° | 60.0° |
| C28 | C22 | C16 | H12 | 41.3° | 179.4° |
| C28 | C22 | C27 | H22 | 178.3° | 179.7° |
| C22 | C28 | C34 | H29 | 179.5° | 180.0° |
| C28 | C34 | C36 | H31 | 180.0° | 179.9° |
| C23 | N08 | C21 | H36 | 180.0° | 180.0° |
| C23 | N08 | C21 | C17 | 15.3° | 17.6° |
| C23 | N08 | C21 | C26 | 139.1° | 162.4° |
| N08 | C23 | C30 | H24 | 21.6° | 95.6° |
| N08 | C23 | C30 | H25 | 98.3° | 24.4° |
| N08 | C23 | C30 | H26 | 141.7° | 144.4° |
| O01 | C10 | C11 | H1 | 121.2° | 120.1° |
| O01 | C10 | C11 | C13 | 177.0° | 177.6° |
| C10 | O01 | C18 | C17 | 153.7° | 179.9° |
| C10 | O01 | C18 | O02 | 26.0° | 0.0° |
| O01 | C10 | C11 | H2 | 57.6° | 57.7° |
| O01 | C10 | C11 | H3 | 63.6° | 62.3° |
| O01 | C10 | C12 | H4 | 65.2° | 60.8° |
| O01 | C10 | C12 | H5 | 55.0° | 59.2° |
| C10 | C11 | C13 | H2 | 119.4° | 119.9° |
| C10 | C11 | C13 | H3 | 119.4° | 120.0° |
| C11 | C10 | O01 | C18 | 100.5° | 90.0° |
| C10 | C11 | H2 | H3 | 121.7° | 120.1° |
| C11 | C10 | C12 | H4 | 55.8° | 179.2° |
| C11 | C10 | C12 | H5 | 176.0° | 60.8° |
| C10 | C11 | C13 | H6 | 67.4° | 177.6° |
| C10 | C11 | C13 | H7 | 172.3° | 62.4° |
| C16 | C17 | C18 | O01 | 78.6° | 100.5° |
| C16 | C17 | C21 | N08 | 27.0° | 0.5° |
| C16 | C17 | C18 | C21 | 148.7° | 179.9° |
| C16 | C17 | C18 | O02 | 101.1° | 79.6° |
| C16 | C17 | C21 | C26 | 178.7° | 179.6° |
| C13 | C11 | C10 | H1 | 61.8° | 62.3° |
| C13 | C11 | H2 | H3 | 121.7° | 120.3° |
| C11 | C13 | H6 | H7 | 120.4° | 120.1° |
| C11 | C13 | C14 | H8 | 178.3° | 60.9° |
| C11 | C13 | C14 | H9 | 62.4° | 179.2° |
| O01 | C18 | C17 | O02 | 179.7° | 179.9° |
| O01 | C18 | C17 | C21 | 70.1° | 79.4° |
| C18 | O01 | C10 | H1 | 19.8° | 30.1° |
| N08 | C21 | C17 | C18 | 122.0° | 179.6° |
| N08 | C21 | C17 | C26 | 154.3° | 179.9° |
| N08 | C21 | C26 | H19 | 180.0° | 85.8° |
| N08 | C21 | C26 | H20 | 60.0° | 34.2° |
| N08 | C21 | C26 | H21 | 60.0° | 154.2° |
| C18 | C17 | C21 | C26 | 32.3° | 0.3° |
| C18 | C17 | C16 | H12 | 147.9° | 43.6° |
| O02 | C18 | C17 | C21 | 110.2° | 100.5° |
| C21 | C17 | C16 | H12 | 63.5° | 136.5° |
| C17 | C21 | C26 | H19 | 26.5° | 94.3° |
| C17 | C21 | C26 | H20 | 93.5° | 145.7° |
| C17 | C21 | C26 | H21 | 146.5° | 25.7° |
| C17 | C21 | N08 | H36 | 164.7° | 162.4° |
| C21 | C26 | H19 | H20 | 120.0° | 120.0° |
| C21 | C26 | H19 | H21 | 120.0° | 119.9° |
| C21 | C26 | H20 | H21 | 120.0° | 119.9° |
| C26 | C21 | N08 | H36 | 40.9° | 17.7° |
| H1 | C10 | C11 | H2 | 178.8° | 177.8° |
| H1 | C10 | C11 | H3 | 57.6° | 57.7° |
| H1 | C10 | C12 | H4 | 173.5° | 59.2° |
| H1 | C10 | C12 | H5 | 66.3° | 179.2° |
| H2 | C11 | C13 | H6 | 173.2° | 57.7° |
| H2 | C11 | C13 | H7 | 53.0° | 177.8° |
| H3 | C11 | C13 | H6 | 52.0° | 62.5° |
| H3 | C11 | C13 | H7 | 68.3° | 57.6° |
| H6 | C13 | C14 | H8 | 58.4° | 59.0° |
| H6 | C13 | C14 | H9 | 177.7° | 60.9° |
| H7 | C13 | C14 | H8 | 61.9° | 179.1° |
| H7 | C13 | C14 | H9 | 57.4° | 59.2° |
| H17 | C24 | C31 | H27 | 0.8° | 0.0° |
| H18 | C25 | C32 | H28 | 0.7° | 0.0° |
| H19 | C26 | H20 | H21 | 120.0° | 120.1° |
| H23 | C28 | C34 | H29 | 0.5° | 0.0° |
| H24 | C30 | H25 | H26 | 120.0° | 119.9° |
| H27 | C31 | C35 | H30 | 0.2° | 0.1° |
| H28 | C32 | C35 | H30 | 0.2° | 0.0° |
| H29 | C34 | C36 | H31 | 0.0° | 0.1° |
| H32 | C37 | H33 | H34 | 120.0° | 120.0° |
