A1AC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C30 | sing | 1.51Å | 1.53Å | |
| C20 | C10 | sing | 1.53Å | 1.55Å | |
| C40 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C17 | sing | 1.52Å | 1.58Å | |
| C19 | C18 | sing | 1.51Å | 1.28Å | |
| C17 | N08 | sing | 1.49Å | 1.47Å | |
| C39 | O05 | sing | 1.35Å | 1.40Å | |
| C39 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| N08 | C10 | sing | 1.49Å | 1.46Å | |
| N08 | C29 | sing | 1.50Å | 1.17Å | |
| C46 | O06 | sing | 1.43Å | 1.40Å | |
| O06 | C42 | sing | 1.36Å | 1.40Å | |
| O05 | C37 | sing | 1.35Å | 1.40Å | |
| C18 | C27 | doub | 1.38Å | 1.45Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.21Å | Aromatic |
| C10 | C15 | sing | 1.50Å | 1.49Å | |
| C27 | C32 | sing | 1.39Å | 1.35Å | Aromatic |
| C15 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C42 | C37 | doub | 1.40Å | 1.39Å | Aromatic |
| C42 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C44 | O04 | sing | 1.43Å | 1.40Å | |
| C32 | O04 | sing | 1.36Å | 1.40Å | |
| C32 | C25 | doub | 1.39Å | 1.29Å | Aromatic |
| C22 | C25 | sing | 1.39Å | 1.31Å | Aromatic |
| C38 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | O01 | sing | 1.35Å | 1.41Å | |
| C34 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C16 | sing | 1.50Å | 1.53Å | |
| C23 | N07 | sing | 1.47Å | 1.18Å | |
| O01 | C21 | sing | 1.35Å | 1.40Å | |
| C09 | N07 | sing | 1.46Å | 1.50Å | |
| C09 | C16 | sing | 1.53Å | 1.49Å | |
| C09 | C11 | sing | 1.51Å | 1.56Å | |
| N07 | C12 | sing | 1.37Å | 1.39Å | |
| C21 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C28 | sing | 1.39Å | 1.32Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.24Å | Aromatic |
| O02 | C28 | sing | 1.36Å | 1.40Å | |
| O02 | C43 | sing | 1.43Å | 1.40Å | |
| C28 | C31 | doub | 1.39Å | 1.29Å | Aromatic |
| C12 | C14 | doub | 1.34Å | 1.44Å | |
| C13 | C14 | sing | 1.47Å | 1.22Å | |
| C13 | C24 | doub | 1.40Å | 1.45Å | Aromatic |
| C45 | O03 | sing | 1.43Å | 1.40Å | |
| C31 | C24 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | O03 | sing | 1.36Å | 1.40Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.10Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.10Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| C40 | H26 | sing | 1.08Å | 1.08Å | |
| C41 | H27 | sing | 1.08Å | 1.08Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C46 | H39 | sing | 1.09Å | 1.10Å | |
| C09 | H40 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C35 | C30 | 120.4° | 120.0° |
| C35 | C40 | C39 | 120.0° | 120.0° |
| C40 | C35 | H23 | 119.8° | 119.8° |
| C35 | C40 | H26 | 120.0° | 119.9° |
| C35 | C30 | C20 | 120.6° | 119.9° |
| C35 | C30 | C36 | 119.4° | 120.2° |
| C30 | C35 | H23 | 119.8° | 120.2° |
| C30 | C20 | C10 | 112.0° | 109.6° |
| C20 | C30 | C36 | 120.0° | 119.9° |
| C30 | C20 | H3 | 108.8° | 109.6° |
| C30 | C20 | H4 | 108.8° | 109.0° |
| C20 | C10 | N08 | 108.4° | 108.9° |
| C20 | C10 | C15 | 108.3° | 110.1° |
| C20 | C10 | H2 | 108.6° | 109.2° |
| C10 | C20 | H3 | 108.9° | 109.8° |
| C10 | C20 | H4 | 108.8° | 109.5° |
| C40 | C39 | O05 | 121.3° | 120.6° |
| C40 | C39 | C41 | 119.5° | 119.7° |
| C39 | C40 | H26 | 120.0° | 120.0° |
| C30 | C36 | C41 | 120.1° | 120.0° |
| C30 | C36 | H24 | 119.9° | 119.9° |
| C17 | C19 | C18 | 105.7° | 110.9° |
| C19 | C17 | N08 | 113.3° | 112.2° |
| C19 | C17 | H7 | 108.5° | 109.9° |
| C19 | C17 | H8 | 108.5° | 110.7° |
| C17 | C19 | H9 | 110.4° | 111.8° |
| C17 | C19 | H10 | 110.4° | 108.8° |
| C19 | C18 | C27 | 113.0° | 119.2° |
| C19 | C18 | C15 | 131.2° | 120.5° |
| C18 | C19 | H9 | 110.4° | 110.5° |
| C18 | C19 | H10 | 110.4° | 108.0° |
| C17 | N08 | C10 | 115.7° | 107.7° |
| C17 | N08 | C29 | 110.1° | 106.4° |
| N08 | C17 | H7 | 108.5° | 107.1° |
| N08 | C17 | H8 | 108.5° | 108.2° |
| O05 | C39 | C41 | 119.2° | 119.7° |
| C39 | O05 | C37 | 114.8° | 121.5° |
| C39 | C41 | C36 | 120.5° | 120.1° |
| C39 | C41 | H27 | 119.7° | 119.9° |
| C41 | C36 | H24 | 120.0° | 120.1° |
| C36 | C41 | H27 | 119.7° | 120.1° |
| C10 | N08 | C29 | 109.6° | 105.0° |
| N08 | C10 | C15 | 112.2° | 111.6° |
| N08 | C10 | H2 | 109.9° | 107.4° |
| N08 | C29 | H18 | 109.5° | 109.4° |
| N08 | C29 | H19 | 109.5° | 109.4° |
| N08 | C29 | H20 | 109.5° | 109.4° |
| C46 | O06 | C42 | 113.6° | 116.9° |
| O06 | C46 | H37 | 109.5° | 109.5° |
| O06 | C46 | H38 | 109.5° | 109.4° |
| O06 | C46 | H39 | 109.5° | 109.5° |
| O06 | C42 | C37 | 120.1° | 119.9° |
| O06 | C42 | C38 | 119.4° | 120.4° |
| O05 | C37 | C42 | 118.3° | 119.2° |
| O05 | C37 | C33 | 122.0° | 121.1° |
| C27 | C18 | C15 | 115.8° | 120.2° |
| C18 | C27 | C32 | 121.3° | 120.7° |
| C18 | C27 | H17 | 119.3° | 119.9° |
| C18 | C15 | C10 | 117.8° | 122.8° |
| C18 | C15 | C22 | 122.5° | 119.0° |
| C10 | C15 | C22 | 119.7° | 118.1° |
| C15 | C10 | H2 | 109.4° | 109.5° |
| C27 | C32 | O04 | 118.3° | 119.1° |
| C27 | C32 | C25 | 119.6° | 119.6° |
| C32 | C27 | H17 | 119.4° | 119.4° |
| C15 | C22 | C25 | 121.5° | 121.2° |
| C15 | C22 | H12 | 119.2° | 119.9° |
| C37 | C42 | C38 | 120.5° | 119.7° |
| C42 | C37 | C33 | 119.7° | 119.7° |
| C42 | C38 | C34 | 119.7° | 120.0° |
| C42 | C38 | H25 | 120.2° | 119.9° |
| C37 | C33 | C26 | 119.8° | 120.1° |
| C37 | C33 | H21 | 120.1° | 120.1° |
| C44 | O04 | C32 | 113.6° | 117.0° |
| O04 | C44 | H31 | 109.5° | 109.5° |
| O04 | C44 | H32 | 109.5° | 109.5° |
| O04 | C44 | H33 | 109.5° | 109.5° |
| O04 | C32 | C25 | 122.1° | 121.3° |
| C32 | C25 | C22 | 119.4° | 119.1° |
| C32 | C25 | O01 | 124.6° | 123.2° |
| C22 | C25 | O01 | 116.0° | 117.8° |
| C25 | C22 | H12 | 119.3° | 118.9° |
| C38 | C34 | C26 | 120.0° | 120.3° |
| C38 | C34 | H22 | 120.0° | 119.9° |
| C34 | C38 | H25 | 120.2° | 120.1° |
| C33 | C26 | C34 | 120.3° | 120.1° |
| C33 | C26 | C16 | 120.7° | 120.2° |
| C26 | C33 | H21 | 120.1° | 119.8° |
| C25 | O01 | C21 | 116.8° | 123.3° |
| C34 | C26 | C16 | 119.0° | 119.7° |
| C26 | C34 | H22 | 120.0° | 119.8° |
| C26 | C16 | C09 | 109.8° | 111.8° |
| C26 | C16 | H5 | 109.4° | 109.2° |
| C26 | C16 | H6 | 109.4° | 109.2° |
| C23 | N07 | C09 | 109.5° | 118.5° |
| C23 | N07 | C12 | 109.5° | 117.9° |
| N07 | C23 | H13 | 109.5° | 109.4° |
| N07 | C23 | H14 | 109.5° | 109.4° |
| N07 | C23 | H15 | 109.4° | 109.4° |
| O01 | C21 | C11 | 116.1° | 118.8° |
| O01 | C21 | C28 | 123.0° | 121.6° |
| N07 | C09 | C16 | 109.6° | 108.5° |
| N07 | C09 | C11 | 111.7° | 111.5° |
| C09 | N07 | C12 | 112.5° | 123.6° |
| N07 | C09 | H40 | 109.3° | 110.2° |
| C16 | C09 | C11 | 108.2° | 106.6° |
| C09 | C16 | H5 | 109.4° | 109.0° |
| C09 | C16 | H6 | 109.4° | 109.1° |
| C16 | C09 | H40 | 109.4° | 110.6° |
| C09 | C11 | C21 | 118.2° | 119.2° |
| C09 | C11 | C13 | 119.6° | 120.6° |
| C11 | C09 | H40 | 108.5° | 109.5° |
| N07 | C12 | C14 | 130.3° | 121.8° |
| N07 | C12 | H1 | 114.8° | 119.1° |
| C11 | C21 | C28 | 121.0° | 119.6° |
| C21 | C11 | C13 | 122.2° | 120.1° |
| C21 | C28 | O02 | 121.1° | 120.7° |
| C21 | C28 | C31 | 119.8° | 120.3° |
| C11 | C13 | C14 | 135.1° | 119.8° |
| C11 | C13 | C24 | 116.2° | 119.9° |
| C28 | O02 | C43 | 114.0° | 117.0° |
| O02 | C28 | C31 | 119.2° | 119.0° |
| O02 | C43 | H28 | 109.5° | 109.4° |
| O02 | C43 | H29 | 109.5° | 109.5° |
| O02 | C43 | H30 | 109.4° | 109.4° |
| C28 | C31 | C24 | 120.3° | 120.2° |
| C28 | C31 | O03 | 119.7° | 119.9° |
| C12 | C14 | C13 | 108.3° | 119.2° |
| C14 | C12 | H1 | 114.9° | 119.2° |
| C12 | C14 | H11 | 125.9° | 120.4° |
| C14 | C13 | C24 | 108.7° | 120.3° |
| C13 | C14 | H11 | 125.8° | 120.5° |
| C13 | C24 | C31 | 120.6° | 119.7° |
| C13 | C24 | H16 | 119.7° | 120.1° |
| C45 | O03 | C31 | 113.5° | 117.0° |
| O03 | C45 | H34 | 109.5° | 109.5° |
| O03 | C45 | H35 | 109.5° | 109.5° |
| O03 | C45 | H36 | 109.5° | 109.5° |
| C24 | C31 | O03 | 120.0° | 120.0° |
| C31 | C24 | H16 | 119.7° | 120.1° |
| H3 | C20 | H4 | 109.5° | 109.2° |
| H5 | C16 | H6 | 109.5° | 108.4° |
| H7 | C17 | H8 | 109.5° | 108.5° |
| H9 | C19 | H10 | 109.5° | 106.7° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H20 | 109.4° | 109.5° |
| H19 | C29 | H20 | 109.4° | 109.5° |
| H28 | C43 | H29 | 109.5° | 109.5° |
| H28 | C43 | H30 | 109.5° | 109.5° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H31 | C44 | H32 | 109.4° | 109.4° |
| H31 | C44 | H33 | 109.5° | 109.5° |
| H32 | C44 | H33 | 109.4° | 109.4° |
| H34 | C45 | H35 | 109.5° | 109.4° |
| H34 | C45 | H36 | 109.4° | 109.5° |
| H35 | C45 | H36 | 109.5° | 109.4° |
| H37 | C46 | H38 | 109.5° | 109.4° |
| H37 | C46 | H39 | 109.5° | 109.5° |
| H38 | C46 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C35 | C30 | H23 | 180.0° | 180.0° |
| C40 | C35 | C30 | C20 | 179.6° | 179.4° |
| C35 | C40 | C39 | H26 | 180.0° | 179.9° |
| C40 | C35 | C30 | C36 | 0.0° | 0.6° |
| C35 | C40 | C39 | O05 | 179.3° | 179.3° |
| C35 | C40 | C39 | C41 | 1.2° | 0.3° |
| C35 | C30 | C20 | C36 | 179.6° | 180.0° |
| C35 | C30 | C20 | C10 | 100.4° | 51.6° |
| C30 | C35 | C40 | C39 | 0.6° | 0.2° |
| C35 | C30 | C36 | C41 | 0.1° | 0.5° |
| C35 | C30 | C20 | H3 | 20.0° | 69.0° |
| C35 | C30 | C20 | H4 | 139.2° | 171.4° |
| C35 | C30 | C36 | H24 | 179.9° | 179.6° |
| C30 | C35 | C40 | H26 | 179.4° | 179.9° |
| C30 | C20 | C10 | H3 | 120.4° | 120.5° |
| C30 | C20 | C10 | H4 | 120.4° | 119.5° |
| C20 | C30 | C36 | C41 | 179.7° | 179.6° |
| C30 | C20 | C10 | N08 | 180.0° | 169.4° |
| C30 | C20 | C10 | C15 | 58.0° | 67.9° |
| C30 | C20 | C10 | H2 | 60.7° | 52.4° |
| C30 | C20 | H3 | H4 | 118.9° | 119.4° |
| C20 | C30 | C35 | H23 | 0.4° | 0.5° |
| C20 | C30 | C36 | H24 | 0.3° | 0.3° |
| C10 | C20 | C30 | C36 | 80.0° | 128.4° |
| C20 | C10 | N08 | C17 | 100.6° | 69.2° |
| C20 | C10 | N08 | C15 | 119.5° | 121.8° |
| C20 | C10 | N08 | H2 | 118.5° | 118.2° |
| C20 | C10 | N08 | C29 | 134.2° | 177.7° |
| C20 | C10 | C15 | C18 | 84.5° | 96.4° |
| C20 | C10 | C15 | H2 | 118.2° | 120.2° |
| C20 | C10 | C15 | C22 | 94.0° | 82.6° |
| C10 | C20 | H3 | H4 | 118.9° | 120.1° |
| C40 | C39 | O05 | C41 | 178.2° | 179.6° |
| C40 | C39 | C41 | C36 | 1.1° | 0.4° |
| C40 | C39 | O05 | C37 | 69.2° | 78.8° |
| C39 | C40 | C35 | H23 | 179.4° | 179.8° |
| C40 | C39 | C41 | H27 | 178.9° | 179.7° |
| C30 | C36 | C41 | C39 | 0.4° | 0.0° |
| C30 | C36 | C41 | H24 | 180.0° | 179.9° |
| C36 | C30 | C20 | H3 | 159.6° | 111.0° |
| C36 | C30 | C20 | H4 | 40.4° | 8.5° |
| C36 | C30 | C35 | H23 | 180.0° | 179.4° |
| C30 | C36 | C41 | H27 | 179.5° | 179.9° |
| C17 | C19 | C18 | H9 | 119.4° | 124.5° |
| C17 | C19 | C18 | H10 | 119.4° | 119.2° |
| C19 | C17 | N08 | H7 | 120.6° | 120.7° |
| C19 | C17 | N08 | H8 | 120.6° | 122.5° |
| C19 | C17 | N08 | C10 | 20.0° | 67.0° |
| C19 | C17 | N08 | C29 | 144.9° | 45.1° |
| C17 | C19 | C18 | C27 | 139.2° | 164.0° |
| C17 | C19 | C18 | C15 | 38.7° | 17.3° |
| C19 | C17 | H7 | H8 | 118.2° | 121.3° |
| C17 | C19 | H9 | H10 | 121.8° | 118.9° |
| C18 | C19 | C17 | N08 | 47.5° | 47.8° |
| C19 | C18 | C27 | C15 | 178.3° | 178.7° |
| C19 | C18 | C15 | C10 | 2.4° | 6.5° |
| C19 | C18 | C27 | C32 | 179.5° | 176.4° |
| C19 | C18 | C15 | C22 | 179.2° | 174.5° |
| C18 | C19 | C17 | H7 | 73.1° | 166.9° |
| C18 | C19 | C17 | H8 | 168.1° | 73.2° |
| C18 | C19 | H9 | H10 | 121.7° | 117.2° |
| C19 | C18 | C27 | H17 | 0.5° | 2.9° |
| C17 | N08 | C10 | C29 | 125.1° | 113.1° |
| C17 | N08 | C10 | C15 | 18.9° | 52.6° |
| C17 | N08 | C10 | H2 | 140.9° | 172.6° |
| N08 | C17 | H7 | H8 | 118.2° | 116.6° |
| N08 | C17 | C19 | H9 | 71.9° | 75.9° |
| N08 | C17 | C19 | H10 | 166.9° | 166.5° |
| C17 | N08 | C29 | H18 | 180.0° | 56.1° |
| C17 | N08 | C29 | H19 | 60.0° | 176.1° |
| C17 | N08 | C29 | H20 | 60.0° | 63.9° |
| O05 | C39 | C41 | C36 | 179.3° | 179.2° |
| C39 | O05 | C37 | C42 | 156.1° | 172.3° |
| C39 | O05 | C37 | C33 | 24.3° | 7.7° |
| O05 | C39 | C40 | H26 | 0.7° | 0.8° |
| O05 | C39 | C41 | H27 | 0.7° | 0.7° |
| C39 | C41 | C36 | H27 | 180.0° | 179.9° |
| C41 | C39 | O05 | C37 | 112.7° | 101.6° |
| C39 | C41 | C36 | H24 | 179.6° | 179.9° |
| C41 | C39 | C40 | H26 | 178.8° | 179.6° |
| N08 | C10 | C15 | C18 | 35.0° | 24.7° |
| N08 | C10 | C15 | H2 | 122.2° | 118.7° |
| N08 | C10 | C15 | C22 | 146.4° | 156.3° |
| N08 | C10 | C20 | H3 | 59.6° | 48.9° |
| N08 | C10 | C20 | H4 | 59.6° | 71.1° |
| C10 | N08 | C17 | H7 | 100.6° | 172.3° |
| C10 | N08 | C17 | H8 | 140.5° | 55.5° |
| C10 | N08 | C29 | H18 | 51.7° | 170.0° |
| C10 | N08 | C29 | H19 | 68.3° | 70.0° |
| C10 | N08 | C29 | H20 | 171.7° | 50.0° |
| C29 | N08 | C10 | C15 | 106.3° | 60.5° |
| C29 | N08 | C10 | H2 | 15.7° | 59.5° |
| C29 | N08 | C17 | H7 | 24.3° | 75.6° |
| C29 | N08 | C17 | H8 | 94.6° | 167.6° |
| N08 | C29 | H18 | H19 | 120.0° | 119.9° |
| N08 | C29 | H18 | H20 | 120.0° | 120.0° |
| N08 | C29 | H19 | H20 | 120.0° | 119.9° |
| C46 | O06 | C42 | C37 | 171.1° | 180.0° |
| C46 | O06 | C42 | C38 | 8.7° | 0.1° |
| O06 | C46 | H37 | H38 | 120.0° | 119.9° |
| O06 | C46 | H37 | H39 | 120.0° | 120.1° |
| O06 | C46 | H38 | H39 | 120.0° | 120.1° |
| O06 | C42 | C37 | O05 | 0.3° | 0.4° |
| O06 | C42 | C37 | C38 | 179.9° | 179.9° |
| O06 | C42 | C37 | C33 | 179.9° | 179.6° |
| O06 | C42 | C38 | C34 | 180.0° | 179.2° |
| O06 | C42 | C38 | H25 | 0.0° | 0.8° |
| C42 | O06 | C46 | H37 | 180.0° | 180.0° |
| C42 | O06 | C46 | H38 | 60.0° | 60.1° |
| C42 | O06 | C46 | H39 | 60.0° | 60.0° |
| O05 | C37 | C42 | C33 | 179.6° | 179.9° |
| O05 | C37 | C42 | C38 | 179.8° | 179.7° |
| O05 | C37 | C33 | C26 | 179.8° | 179.4° |
| O05 | C37 | C33 | H21 | 0.2° | 0.1° |
| C27 | C18 | C15 | C10 | 179.8° | 174.8° |
| C18 | C27 | C32 | H17 | 180.0° | 179.3° |
| C27 | C18 | C15 | C22 | 1.3° | 4.2° |
| C18 | C27 | C32 | O04 | 179.5° | 177.4° |
| C18 | C27 | C32 | C25 | 0.7° | 2.1° |
| C27 | C18 | C19 | H9 | 101.4° | 71.5° |
| C27 | C18 | C19 | H10 | 19.8° | 44.8° |
| C18 | C15 | C10 | C22 | 178.5° | 179.1° |
| C15 | C18 | C27 | C32 | 1.2° | 2.3° |
| C18 | C15 | C22 | C25 | 1.0° | 2.0° |
| C18 | C15 | C10 | H2 | 157.3° | 143.4° |
| C15 | C18 | C19 | H9 | 80.7° | 107.2° |
| C15 | C18 | C19 | H10 | 158.1° | 136.5° |
| C18 | C15 | C22 | H12 | 179.0° | 177.7° |
| C15 | C18 | C27 | H17 | 178.8° | 178.4° |
| C10 | C15 | C22 | C25 | 179.4° | 177.1° |
| C15 | C10 | C20 | H3 | 62.3° | 171.5° |
| C15 | C10 | C20 | H4 | 178.4° | 51.6° |
| C10 | C15 | C22 | H12 | 0.6° | 3.2° |
| C27 | C32 | O04 | C44 | 67.0° | 0.0° |
| C27 | C32 | O04 | C25 | 179.8° | 179.5° |
| C27 | C32 | C25 | C22 | 0.4° | 4.3° |
| C27 | C32 | C25 | O01 | 179.9° | 176.0° |
| C15 | C22 | C25 | C32 | 0.4° | 2.3° |
| C15 | C22 | C25 | H12 | 180.0° | 179.6° |
| C15 | C22 | C25 | O01 | 180.0° | 178.0° |
| C22 | C15 | C10 | H2 | 24.2° | 37.5° |
| C37 | C42 | C38 | C34 | 0.1° | 0.7° |
| C42 | C37 | C33 | C26 | 0.3° | 0.5° |
| C42 | C37 | C33 | H21 | 179.8° | 179.9° |
| C37 | C42 | C38 | H25 | 179.9° | 179.3° |
| C38 | C42 | C37 | C33 | 0.3° | 0.3° |
| C42 | C38 | C34 | H25 | 180.0° | 180.0° |
| C42 | C38 | C34 | C26 | 0.0° | 0.2° |
| C42 | C38 | C34 | H22 | 180.0° | 179.1° |
| C37 | C33 | C26 | H21 | 180.0° | 179.3° |
| C37 | C33 | C26 | C34 | 0.1° | 1.0° |
| C37 | C33 | C26 | C16 | 179.9° | 178.2° |
| C44 | O04 | C32 | C25 | 113.2° | 179.5° |
| O04 | C44 | H31 | H32 | 120.0° | 120.0° |
| O04 | C44 | H31 | H33 | 120.0° | 120.1° |
| O04 | C44 | H32 | H33 | 120.0° | 120.0° |
| O04 | C32 | C25 | C22 | 179.9° | 175.2° |
| O04 | C32 | C25 | O01 | 0.4° | 4.5° |
| O04 | C32 | C27 | H17 | 0.5° | 3.2° |
| C32 | O04 | C44 | H31 | 180.0° | 180.0° |
| C32 | O04 | C44 | H32 | 60.0° | 60.0° |
| C32 | O04 | C44 | H33 | 60.0° | 59.9° |
| C32 | C25 | C22 | O01 | 179.5° | 179.7° |
| C32 | C25 | O01 | C21 | 38.7° | 28.8° |
| C32 | C25 | C22 | H12 | 179.6° | 178.1° |
| C25 | C32 | C27 | H17 | 179.3° | 177.3° |
| C22 | C25 | O01 | C21 | 141.8° | 151.5° |
| C38 | C34 | C26 | C33 | 0.0° | 0.6° |
| C38 | C34 | C26 | H22 | 180.0° | 179.3° |
| C38 | C34 | C26 | C16 | 180.0° | 178.6° |
| C33 | C26 | C34 | C16 | 180.0° | 179.2° |
| C33 | C26 | C16 | C09 | 103.4° | 69.5° |
| C33 | C26 | C16 | H5 | 16.7° | 169.8° |
| C33 | C26 | C16 | H6 | 136.6° | 51.4° |
| C33 | C26 | C34 | H22 | 180.0° | 180.0° |
| C25 | O01 | C21 | C11 | 132.5° | 142.8° |
| C25 | O01 | C21 | C28 | 48.0° | 36.3° |
| O01 | C25 | C22 | H12 | 0.0° | 1.7° |
| C34 | C26 | C16 | C09 | 76.6° | 111.3° |
| C34 | C26 | C16 | H5 | 163.3° | 9.4° |
| C34 | C26 | C16 | H6 | 43.4° | 127.8° |
| C34 | C26 | C33 | H21 | 179.9° | 179.6° |
| C26 | C34 | C38 | H25 | 180.0° | 179.8° |
| C26 | C16 | C09 | N07 | 78.2° | 79.3° |
| C26 | C16 | C09 | H5 | 120.0° | 120.9° |
| C26 | C16 | C09 | H6 | 120.0° | 121.0° |
| C26 | C16 | C09 | C11 | 159.8° | 160.5° |
| C26 | C16 | H5 | H6 | 119.8° | 118.9° |
| C16 | C26 | C33 | H21 | 0.1° | 1.1° |
| C16 | C26 | C34 | H22 | 0.0° | 0.7° |
| C26 | C16 | C09 | H40 | 41.8° | 41.6° |
| C23 | N07 | C09 | C12 | 122.0° | 178.9° |
| C23 | N07 | C09 | C16 | 118.5° | 86.7° |
| C23 | N07 | C09 | C11 | 121.5° | 156.3° |
| C23 | N07 | C12 | C14 | 135.5° | 164.9° |
| C23 | N07 | C12 | H1 | 44.5° | 16.4° |
| N07 | C23 | H13 | H14 | 120.0° | 120.0° |
| N07 | C23 | H13 | H15 | 120.0° | 120.0° |
| N07 | C23 | H14 | H15 | 119.9° | 119.9° |
| C23 | N07 | C09 | H40 | 1.5° | 34.5° |
| O01 | C21 | C11 | C09 | 0.0° | 7.2° |
| O01 | C21 | C11 | C28 | 179.5° | 179.1° |
| O01 | C21 | C11 | C13 | 179.6° | 174.4° |
| O01 | C21 | C28 | O02 | 0.6° | 5.7° |
| O01 | C21 | C28 | C31 | 180.0° | 175.6° |
| N07 | C09 | C16 | C11 | 122.1° | 120.1° |
| N07 | C09 | C16 | H40 | 119.9° | 121.0° |
| N07 | C09 | C11 | H40 | 120.6° | 122.2° |
| N07 | C09 | C11 | C21 | 173.0° | 165.0° |
| N07 | C09 | C11 | C13 | 7.3° | 16.7° |
| C09 | N07 | C12 | C14 | 13.6° | 14.0° |
| C09 | N07 | C12 | H1 | 166.4° | 164.7° |
| N07 | C09 | C16 | H5 | 161.8° | 41.5° |
| N07 | C09 | C16 | H6 | 41.9° | 159.7° |
| C09 | N07 | C23 | H13 | 180.0° | 90.0° |
| C09 | N07 | C23 | H14 | 60.0° | 150.0° |
| C09 | N07 | C23 | H15 | 60.0° | 30.0° |
| C16 | C09 | C11 | H40 | 118.6° | 119.6° |
| C16 | C09 | N07 | C12 | 119.5° | 94.5° |
| C16 | C09 | C11 | C21 | 66.2° | 76.8° |
| C16 | C09 | C11 | C13 | 113.4° | 101.5° |
| C09 | C16 | H5 | H6 | 119.8° | 118.6° |
| C11 | C09 | N07 | C12 | 0.4° | 22.6° |
| C09 | C11 | C21 | C13 | 179.6° | 178.3° |
| C09 | C11 | C21 | C28 | 179.5° | 173.7° |
| C09 | C11 | C13 | C14 | 0.7° | 3.1° |
| C09 | C11 | C13 | C24 | 179.9° | 175.5° |
| C11 | C09 | C16 | H5 | 39.7° | 78.6° |
| C11 | C09 | C16 | H6 | 80.2° | 39.6° |
| N07 | C12 | C14 | H1 | 180.0° | 178.7° |
| N07 | C12 | C14 | C13 | 19.4° | 2.3° |
| N07 | C12 | C14 | H11 | 160.6° | 177.5° |
| C12 | N07 | C23 | H13 | 56.3° | 89.0° |
| C12 | N07 | C23 | H14 | 176.3° | 31.1° |
| C12 | N07 | C23 | H15 | 63.7° | 151.0° |
| C12 | N07 | C09 | H40 | 120.5° | 144.3° |
| C11 | C21 | C28 | O02 | 180.0° | 175.3° |
| C11 | C21 | C28 | C31 | 0.5° | 3.5° |
| C21 | C11 | C13 | C14 | 179.7° | 178.5° |
| C21 | C11 | C13 | C24 | 0.3° | 2.8° |
| C21 | C11 | C09 | H40 | 52.4° | 42.8° |
| C28 | C21 | C11 | C13 | 0.1° | 4.7° |
| C21 | C28 | O02 | C31 | 179.4° | 178.7° |
| C21 | C28 | O02 | C43 | 102.7° | 90.0° |
| C21 | C28 | C31 | C24 | 0.5° | 0.4° |
| C21 | C28 | C31 | O03 | 179.6° | 180.0° |
| C11 | C13 | C14 | C12 | 11.2° | 7.4° |
| C11 | C13 | C14 | C24 | 179.4° | 178.6° |
| C11 | C13 | C24 | C31 | 0.3° | 0.2° |
| C11 | C13 | C14 | H11 | 168.8° | 172.5° |
| C11 | C13 | C24 | H16 | 179.7° | 179.8° |
| C13 | C11 | C09 | H40 | 127.9° | 138.8° |
| O02 | C28 | C31 | C24 | 179.9° | 178.3° |
| O02 | C28 | C31 | O03 | 0.1° | 1.3° |
| C28 | O02 | C43 | H28 | 180.0° | 180.0° |
| C28 | O02 | C43 | H29 | 60.0° | 60.0° |
| C28 | O02 | C43 | H30 | 60.0° | 60.0° |
| C43 | O02 | C28 | C31 | 77.9° | 88.8° |
| O02 | C43 | H28 | H29 | 120.0° | 120.0° |
| O02 | C43 | H28 | H30 | 120.0° | 119.9° |
| O02 | C43 | H29 | H30 | 120.0° | 120.0° |
| C28 | C31 | C24 | C13 | 0.0° | 1.4° |
| C28 | C31 | O03 | C45 | 73.0° | 180.0° |
| C28 | C31 | C24 | O03 | 179.9° | 179.6° |
| C28 | C31 | C24 | H16 | 179.9° | 179.0° |
| C12 | C14 | C13 | H11 | 180.0° | 179.9° |
| C12 | C14 | C13 | C24 | 168.2° | 174.0° |
| C14 | C13 | C24 | C31 | 179.9° | 178.4° |
| C13 | C14 | C12 | H1 | 160.7° | 179.0° |
| C14 | C13 | C24 | H16 | 0.1° | 1.2° |
| C13 | C24 | C31 | H16 | 180.0° | 179.6° |
| C13 | C24 | C31 | O03 | 180.0° | 178.2° |
| C24 | C13 | C14 | H11 | 11.8° | 6.1° |
| C45 | O03 | C31 | C24 | 107.1° | 0.3° |
| O03 | C45 | H34 | H35 | 120.0° | 120.0° |
| O03 | C45 | H34 | H36 | 120.0° | 120.0° |
| O03 | C45 | H35 | H36 | 120.0° | 120.0° |
| O03 | C31 | C24 | H16 | 0.0° | 1.4° |
| C31 | O03 | C45 | H34 | 180.0° | 180.0° |
| C31 | O03 | C45 | H35 | 60.0° | 60.0° |
| C31 | O03 | C45 | H36 | 60.0° | 60.0° |
| H1 | C12 | C14 | H11 | 19.4° | 1.1° |
| H2 | C10 | C20 | H3 | 178.9° | 68.1° |
| H2 | C10 | C20 | H4 | 59.7° | 171.9° |
| H5 | C16 | C09 | H40 | 78.3° | 162.5° |
| H6 | C16 | C09 | H40 | 161.8° | 79.3° |
| H7 | C17 | C19 | H9 | 167.5° | 43.1° |
| H7 | C17 | C19 | H10 | 46.3° | 74.4° |
| H8 | C17 | C19 | H9 | 48.7° | 163.1° |
| H8 | C17 | C19 | H10 | 72.5° | 45.5° |
| H13 | C23 | H14 | H15 | 120.0° | 120.1° |
| H18 | C29 | H19 | H20 | 120.0° | 120.1° |
| H22 | C34 | C38 | H25 | 0.0° | 0.9° |
| H23 | C35 | C40 | H26 | 0.6° | 0.1° |
| H24 | C36 | C41 | H27 | 0.4° | 0.1° |
| H28 | C43 | H29 | H30 | 120.0° | 120.0° |
| H31 | C44 | H32 | H33 | 120.0° | 120.0° |
| H34 | C45 | H35 | H36 | 120.0° | 120.0° |
| H37 | C46 | H38 | H39 | 120.0° | 120.0° |
