865
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | O17 | sing | 1.36Å | 1.45Å | |
| C18 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| O17 | C16 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.51Å | 1.58Å | |
| C11 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | C28 | doub | 1.36Å | 1.41Å | Aromatic |
| C12 | C42 | doub | 1.41Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.47Å | 1.54Å | |
| C28 | N32 | sing | 1.38Å | 1.35Å | Aromatic |
| C42 | C08 | sing | 1.40Å | 1.44Å | Aromatic |
| C42 | N32 | sing | 1.37Å | 1.40Å | Aromatic |
| O31 | C29 | doub | 1.22Å | 1.27Å | |
| C08 | C07 | sing | 1.48Å | 1.43Å | |
| C29 | O30 | sing | 1.35Å | 1.27Å | |
| C01 | C02 | sing | 1.51Å | 1.56Å | |
| N32 | C33 | sing | 1.46Å | 1.48Å | |
| C07 | C02 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C47 | N46 | doub | 1.31Å | 1.35Å | Aromatic |
| C47 | N43 | sing | 1.36Å | 1.34Å | Aromatic |
| N46 | C45 | sing | 1.34Å | 1.34Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| N43 | C06 | sing | 1.40Å | 1.37Å | |
| N43 | C44 | sing | 1.37Å | 1.35Å | Aromatic |
| C06 | N05 | doub | 1.32Å | 1.34Å | Aromatic |
| C45 | C44 | doub | 1.35Å | 1.38Å | Aromatic |
| O35 | C34 | doub | 1.21Å | 1.20Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | N36 | sing | 1.35Å | 1.44Å | |
| N05 | C04 | sing | 1.32Å | 1.35Å | Aromatic |
| N36 | C37 | sing | 1.47Å | 1.38Å | |
| N36 | C41 | sing | 1.47Å | 1.37Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| C38 | N39 | sing | 1.47Å | 1.46Å | |
| C40 | N39 | sing | 1.47Å | 1.47Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| O30 | H22 | sing | 0.97Å | 0.95Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| N39 | H29 | sing | 1.01Å | 1.00Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.08Å | 1.08Å | |
| C45 | H36 | sing | 1.08Å | 1.08Å | |
| C47 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.2° | 120.9° |
| C24 | C25 | C26 | 120.1° | 121.0° |
| C25 | C24 | H19 | 119.9° | 119.5° |
| C24 | C25 | H20 | 119.9° | 119.5° |
| C24 | C23 | C22 | 119.8° | 119.7° |
| C24 | C23 | H18 | 120.1° | 120.2° |
| C23 | C24 | H19 | 119.9° | 119.5° |
| C25 | C26 | C27 | 119.7° | 119.6° |
| C26 | C25 | H20 | 119.9° | 119.4° |
| C25 | C26 | H21 | 120.1° | 120.2° |
| C23 | C22 | C27 | 120.0° | 119.3° |
| C23 | C22 | C21 | 119.8° | 121.3° |
| C22 | C23 | H18 | 120.1° | 120.2° |
| C26 | C27 | C22 | 120.1° | 119.4° |
| C26 | C27 | C18 | 120.1° | 121.3° |
| C27 | C26 | H21 | 120.2° | 120.2° |
| C27 | C22 | C21 | 120.2° | 119.4° |
| C22 | C27 | C18 | 119.8° | 119.3° |
| C22 | C21 | C20 | 120.2° | 119.8° |
| C22 | C21 | H17 | 119.9° | 120.1° |
| C27 | C18 | O17 | 119.6° | 120.2° |
| C27 | C18 | C19 | 119.8° | 119.5° |
| C21 | C20 | C19 | 119.7° | 121.0° |
| C21 | C20 | H16 | 120.1° | 119.5° |
| C20 | C21 | H17 | 119.9° | 120.1° |
| O17 | C18 | C19 | 120.5° | 120.2° |
| C18 | O17 | C16 | 114.3° | 117.0° |
| C18 | C19 | C20 | 120.2° | 120.9° |
| C18 | C19 | H15 | 119.9° | 119.5° |
| C20 | C19 | H15 | 119.9° | 119.6° |
| C19 | C20 | H16 | 120.1° | 119.5° |
| O17 | C16 | C15 | 108.4° | 109.5° |
| O17 | C16 | H13 | 109.7° | 109.5° |
| O17 | C16 | H14 | 109.7° | 109.5° |
| C16 | C15 | C14 | 113.1° | 109.5° |
| C16 | C15 | H11 | 108.6° | 109.5° |
| C16 | C15 | H12 | 108.6° | 109.5° |
| C15 | C16 | H13 | 109.7° | 109.5° |
| C15 | C16 | H14 | 109.8° | 109.5° |
| C15 | C14 | C13 | 112.3° | 109.4° |
| C15 | C14 | H9 | 108.8° | 109.5° |
| C15 | C14 | H10 | 108.8° | 109.5° |
| C14 | C15 | H11 | 108.6° | 109.5° |
| C14 | C15 | H12 | 108.5° | 109.5° |
| C14 | C13 | C12 | 125.8° | 126.2° |
| C14 | C13 | C28 | 127.3° | 126.1° |
| C13 | C14 | H9 | 108.8° | 109.5° |
| C13 | C14 | H10 | 108.7° | 109.4° |
| C10 | C11 | C12 | 120.2° | 120.1° |
| C11 | C10 | C09 | 119.7° | 120.8° |
| C11 | C10 | H7 | 120.2° | 119.7° |
| C10 | C11 | H8 | 119.9° | 119.9° |
| C11 | C12 | C13 | 131.9° | 133.3° |
| C11 | C12 | C42 | 120.8° | 119.7° |
| C12 | C11 | H8 | 119.9° | 120.0° |
| C10 | C09 | C08 | 120.6° | 120.5° |
| C10 | C09 | H6 | 119.7° | 119.8° |
| C09 | C10 | H7 | 120.1° | 119.6° |
| C12 | C13 | C28 | 106.9° | 107.7° |
| C13 | C12 | C42 | 107.3° | 107.0° |
| C13 | C28 | C29 | 126.1° | 125.5° |
| C13 | C28 | N32 | 108.7° | 109.1° |
| C12 | C42 | C08 | 118.6° | 119.4° |
| C12 | C42 | N32 | 107.9° | 107.5° |
| C09 | C08 | C42 | 120.1° | 119.5° |
| C09 | C08 | C07 | 117.2° | 120.2° |
| C08 | C09 | H6 | 119.7° | 119.7° |
| C29 | C28 | N32 | 125.2° | 125.4° |
| C28 | C29 | O31 | 120.5° | 119.9° |
| C28 | C29 | O30 | 119.5° | 120.1° |
| C28 | N32 | C42 | 109.2° | 108.8° |
| C28 | N32 | C33 | 123.4° | 125.6° |
| C08 | C42 | N32 | 133.5° | 133.2° |
| C42 | C08 | C07 | 122.7° | 120.2° |
| C42 | N32 | C33 | 127.5° | 125.6° |
| O31 | C29 | O30 | 120.0° | 120.0° |
| C08 | C07 | C02 | 119.7° | 120.6° |
| C08 | C07 | C06 | 120.5° | 120.6° |
| C29 | O30 | H22 | 109.5° | 117.0° |
| C01 | C02 | C07 | 121.7° | 120.8° |
| C01 | C02 | C03 | 119.8° | 120.8° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| N32 | C33 | C34 | 110.9° | 109.5° |
| N32 | C33 | H23 | 109.1° | 109.4° |
| N32 | C33 | H24 | 109.1° | 109.5° |
| C02 | C07 | C06 | 119.9° | 118.8° |
| C07 | C02 | C03 | 118.5° | 118.4° |
| C07 | C06 | N43 | 121.0° | 119.8° |
| C07 | C06 | N05 | 120.0° | 120.5° |
| C02 | C03 | C04 | 119.6° | 119.4° |
| C02 | C03 | H4 | 120.2° | 120.3° |
| N46 | C47 | N43 | 108.8° | 108.6° |
| C47 | N46 | C45 | 108.6° | 109.3° |
| N46 | C47 | H37 | 125.6° | 125.7° |
| C47 | N43 | C06 | 126.1° | 126.5° |
| C47 | N43 | C44 | 108.2° | 107.1° |
| N43 | C47 | H37 | 125.6° | 125.8° |
| N46 | C45 | C44 | 107.1° | 108.2° |
| N46 | C45 | H36 | 126.5° | 125.9° |
| C33 | C34 | O35 | 119.9° | 120.0° |
| C33 | C34 | N36 | 120.2° | 120.0° |
| C34 | C33 | H23 | 109.1° | 109.4° |
| C34 | C33 | H24 | 109.1° | 109.5° |
| C06 | N43 | C44 | 125.8° | 126.4° |
| N43 | C06 | N05 | 119.0° | 119.8° |
| N43 | C44 | C45 | 107.4° | 106.8° |
| N43 | C44 | H35 | 126.3° | 126.6° |
| C06 | N05 | C04 | 121.4° | 121.8° |
| C45 | C44 | H35 | 126.3° | 126.6° |
| C44 | C45 | H36 | 126.5° | 125.9° |
| O35 | C34 | N36 | 119.9° | 120.0° |
| C03 | C04 | N05 | 120.7° | 121.1° |
| C04 | C03 | H4 | 120.2° | 120.3° |
| C03 | C04 | H5 | 119.6° | 119.5° |
| C34 | N36 | C37 | 121.4° | 120.9° |
| C34 | N36 | C41 | 120.8° | 120.8° |
| N05 | C04 | H5 | 119.7° | 119.5° |
| C37 | N36 | C41 | 117.8° | 118.2° |
| N36 | C37 | C38 | 110.5° | 108.5° |
| N36 | C37 | H25 | 109.2° | 109.6° |
| N36 | C37 | H26 | 109.2° | 109.6° |
| N36 | C41 | C40 | 110.7° | 108.8° |
| N36 | C41 | H33 | 109.1° | 109.7° |
| N36 | C41 | H34 | 109.2° | 109.6° |
| C37 | C38 | N39 | 111.8° | 109.3° |
| C38 | C37 | H25 | 109.2° | 109.7° |
| C38 | C37 | H26 | 109.2° | 109.6° |
| C37 | C38 | H27 | 108.9° | 109.5° |
| C37 | C38 | H28 | 108.9° | 109.5° |
| C41 | C40 | N39 | 111.4° | 109.4° |
| C41 | C40 | H31 | 109.0° | 109.6° |
| C41 | C40 | H32 | 109.0° | 109.3° |
| C40 | C41 | H33 | 109.2° | 109.6° |
| C40 | C41 | H34 | 109.2° | 109.4° |
| C38 | N39 | C40 | 112.4° | 111.3° |
| N39 | C38 | H27 | 108.9° | 109.4° |
| N39 | C38 | H28 | 108.9° | 109.5° |
| C38 | N39 | H29 | 108.7° | 111.0° |
| C40 | N39 | H29 | 108.8° | 111.0° |
| N39 | C40 | H31 | 109.0° | 109.5° |
| N39 | C40 | H32 | 109.0° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.4° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H25 | C37 | H26 | 109.4° | 109.8° |
| H27 | C38 | H28 | 109.4° | 109.5° |
| H31 | C40 | H32 | 109.5° | 109.5° |
| H33 | C41 | H34 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H19 | 180.0° | 180.0° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | C23 | H18 | 179.9° | 179.9° |
| C24 | C25 | C26 | H21 | 179.9° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | H18 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 0.0° | 0.1° |
| C24 | C23 | C22 | C21 | 179.9° | 179.5° |
| C23 | C24 | C25 | H20 | 179.8° | 180.0° |
| C25 | C26 | C27 | H21 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 0.1° | 0.1° |
| C25 | C26 | C27 | C18 | 180.0° | 180.0° |
| C26 | C25 | C24 | H19 | 179.8° | 180.0° |
| C23 | C22 | C27 | C26 | 0.0° | 0.1° |
| C23 | C22 | C27 | C21 | 179.9° | 179.4° |
| C23 | C22 | C27 | C18 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 180.0° | 179.7° |
| C23 | C22 | C21 | H17 | 0.0° | 0.4° |
| C22 | C23 | C24 | H19 | 179.9° | 179.9° |
| C26 | C27 | C22 | C18 | 180.0° | 179.9° |
| C26 | C27 | C22 | C21 | 179.9° | 179.5° |
| C26 | C27 | C18 | O17 | 0.1° | 0.2° |
| C26 | C27 | C18 | C19 | 180.0° | 179.5° |
| C27 | C26 | C25 | H20 | 179.8° | 180.0° |
| C27 | C22 | C21 | C20 | 0.0° | 0.3° |
| C22 | C27 | C18 | O17 | 179.9° | 179.7° |
| C22 | C27 | C18 | C19 | 0.0° | 0.6° |
| C27 | C22 | C21 | H17 | 180.0° | 179.8° |
| C27 | C22 | C23 | H18 | 180.0° | 180.0° |
| C22 | C27 | C26 | H21 | 180.0° | 179.9° |
| C21 | C22 | C27 | C18 | 0.1° | 0.6° |
| C22 | C21 | C20 | H17 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | H16 | 180.0° | 179.9° |
| C21 | C22 | C23 | H18 | 0.1° | 0.6° |
| C27 | C18 | O17 | C19 | 179.9° | 179.7° |
| C27 | C18 | C19 | C20 | 0.0° | 0.3° |
| C27 | C18 | O17 | C16 | 148.1° | 179.7° |
| C27 | C18 | C19 | H15 | 180.0° | 179.7° |
| C18 | C27 | C26 | H21 | 0.0° | 0.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C21 | C20 | C19 | H16 | 180.0° | 179.9° |
| C21 | C20 | C19 | H15 | 180.0° | 180.0° |
| O17 | C18 | C19 | C20 | 179.9° | 179.9° |
| C18 | O17 | C16 | C15 | 175.3° | 180.0° |
| C18 | O17 | C16 | H13 | 64.8° | 60.0° |
| C18 | O17 | C16 | H14 | 55.5° | 60.0° |
| O17 | C18 | C19 | H15 | 0.1° | 0.0° |
| C18 | C19 | C20 | H15 | 180.0° | 179.9° |
| C19 | C18 | O17 | C16 | 32.0° | 0.0° |
| C18 | C19 | C20 | H16 | 180.0° | 180.0° |
| C19 | C20 | C21 | H17 | 180.0° | 179.9° |
| O17 | C16 | C15 | H13 | 119.8° | 120.0° |
| O17 | C16 | C15 | H14 | 119.8° | 120.0° |
| O17 | C16 | C15 | C14 | 23.1° | 180.0° |
| O17 | C16 | C15 | H11 | 97.4° | 60.0° |
| O17 | C16 | C15 | H12 | 143.6° | 60.0° |
| O17 | C16 | H13 | H14 | 120.5° | 120.0° |
| C16 | C15 | C14 | H11 | 120.6° | 120.0° |
| C16 | C15 | C14 | H12 | 120.5° | 120.0° |
| C16 | C15 | C14 | C13 | 91.9° | 180.0° |
| C16 | C15 | C14 | H9 | 28.6° | 60.0° |
| C16 | C15 | C14 | H10 | 147.7° | 60.0° |
| C16 | C15 | H11 | H12 | 118.4° | 120.0° |
| C15 | C16 | H13 | H14 | 120.5° | 120.0° |
| C15 | C14 | C13 | H9 | 120.4° | 120.0° |
| C15 | C14 | C13 | H10 | 120.4° | 120.0° |
| C15 | C14 | C13 | C12 | 101.8° | 90.0° |
| C15 | C14 | C13 | C28 | 77.7° | 90.0° |
| C15 | C14 | H9 | H10 | 118.7° | 120.1° |
| C14 | C15 | H11 | H12 | 118.3° | 120.0° |
| C14 | C15 | C16 | H13 | 142.9° | 60.0° |
| C14 | C15 | C16 | H14 | 96.7° | 60.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.1° |
| C14 | C13 | C12 | C28 | 179.6° | 180.0° |
| C14 | C13 | C12 | C42 | 179.8° | 179.8° |
| C14 | C13 | C28 | C29 | 0.4° | 0.1° |
| C14 | C13 | C28 | N32 | 179.8° | 180.0° |
| C13 | C14 | H9 | H10 | 118.7° | 120.0° |
| C13 | C14 | C15 | H11 | 147.6° | 60.0° |
| C13 | C14 | C15 | H12 | 28.7° | 60.0° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C11 | C10 | C09 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | C42 | 0.1° | 0.2° |
| C11 | C10 | C09 | C08 | 0.1° | 0.0° |
| C11 | C10 | C09 | H6 | 179.9° | 180.0° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C11 | C12 | C13 | C42 | 179.8° | 179.9° |
| C11 | C12 | C13 | C28 | 179.9° | 179.9° |
| C11 | C12 | C42 | C08 | 0.0° | 0.4° |
| C11 | C12 | C42 | N32 | 180.0° | 179.8° |
| C12 | C11 | C10 | H7 | 179.9° | 180.0° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C10 | C09 | C08 | C42 | 0.1° | 0.2° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C10 | C11 | H8 | 179.9° | 180.0° |
| C12 | C13 | C28 | C29 | 180.0° | 180.0° |
| C12 | C13 | C28 | N32 | 0.2° | 0.0° |
| C13 | C12 | C42 | C08 | 179.9° | 179.7° |
| C13 | C12 | C42 | N32 | 0.1° | 0.4° |
| C13 | C12 | C11 | H8 | 0.2° | 0.1° |
| C12 | C13 | C14 | H9 | 18.6° | 150.0° |
| C12 | C13 | C14 | H10 | 137.8° | 30.0° |
| C28 | C13 | C12 | C42 | 0.2° | 0.2° |
| C13 | C28 | C29 | N32 | 179.8° | 179.9° |
| C13 | C28 | N32 | C42 | 0.2° | 0.2° |
| C13 | C28 | C29 | O31 | 40.8° | 0.0° |
| C13 | C28 | C29 | O30 | 139.3° | 179.9° |
| C13 | C28 | N32 | C33 | 179.5° | 179.9° |
| C28 | C13 | C14 | H9 | 161.9° | 29.9° |
| C28 | C13 | C14 | H10 | 42.7° | 150.0° |
| C12 | C42 | C08 | C09 | 0.0° | 0.4° |
| C12 | C42 | N32 | C28 | 0.0° | 0.4° |
| C12 | C42 | C08 | N32 | 180.0° | 179.1° |
| C12 | C42 | C08 | C07 | 179.8° | 179.8° |
| C12 | C42 | N32 | C33 | 179.6° | 179.9° |
| C42 | C12 | C11 | H8 | 180.0° | 179.8° |
| C09 | C08 | C42 | C07 | 179.8° | 179.8° |
| C09 | C08 | C42 | N32 | 180.0° | 179.6° |
| C09 | C08 | C07 | C02 | 90.6° | 93.4° |
| C09 | C08 | C07 | C06 | 89.1° | 86.4° |
| C08 | C09 | C10 | H7 | 179.9° | 180.0° |
| C29 | C28 | N32 | C42 | 180.0° | 179.7° |
| C28 | C29 | O31 | O30 | 179.9° | 179.9° |
| C29 | C28 | N32 | C33 | 0.3° | 0.0° |
| C28 | C29 | O30 | H22 | 179.9° | 180.0° |
| C28 | N32 | C42 | C08 | 180.0° | 179.6° |
| C28 | N32 | C42 | C33 | 179.7° | 179.7° |
| N32 | C28 | C29 | O31 | 139.5° | 180.0° |
| N32 | C28 | C29 | O30 | 40.4° | 0.0° |
| C28 | N32 | C33 | C34 | 80.5° | 90.0° |
| C28 | N32 | C33 | H23 | 159.3° | 150.1° |
| C28 | N32 | C33 | H24 | 39.7° | 30.0° |
| C08 | C42 | N32 | C33 | 0.4° | 0.7° |
| C42 | C08 | C07 | C02 | 89.2° | 86.9° |
| C42 | C08 | C07 | C06 | 91.1° | 93.4° |
| C42 | C08 | C09 | H6 | 179.9° | 179.8° |
| N32 | C42 | C08 | C07 | 0.2° | 0.6° |
| C42 | N32 | C33 | C34 | 99.9° | 89.7° |
| C42 | N32 | C33 | H23 | 20.4° | 30.3° |
| C42 | N32 | C33 | H24 | 139.9° | 150.3° |
| O31 | C29 | O30 | H22 | 0.0° | 0.1° |
| C08 | C07 | C02 | C01 | 0.2° | 0.0° |
| C08 | C07 | C02 | C06 | 179.7° | 179.7° |
| C08 | C07 | C02 | C03 | 179.8° | 179.7° |
| C08 | C07 | C06 | N43 | 0.3° | 0.1° |
| C08 | C07 | C06 | N05 | 179.9° | 179.7° |
| C07 | C08 | C09 | H6 | 0.1° | 0.0° |
| C01 | C02 | C07 | C03 | 180.0° | 179.7° |
| C01 | C02 | C07 | C06 | 179.9° | 179.7° |
| C01 | C02 | C03 | C04 | 180.0° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.0° | 0.0° |
| N32 | C33 | C34 | H23 | 120.2° | 120.0° |
| N32 | C33 | C34 | H24 | 120.2° | 120.0° |
| N32 | C33 | C34 | O35 | 21.8° | 0.0° |
| N32 | C33 | C34 | N36 | 158.0° | 180.0° |
| N32 | C33 | H23 | H24 | 119.3° | 120.0° |
| C02 | C07 | C06 | N43 | 180.0° | 179.7° |
| C02 | C07 | C06 | N05 | 0.2° | 0.6° |
| C07 | C02 | C03 | C04 | 0.0° | 0.3° |
| C07 | C02 | C01 | H1 | 90.0° | 90.3° |
| C07 | C02 | C01 | H2 | 150.0° | 29.7° |
| C07 | C02 | C01 | H3 | 30.0° | 149.7° |
| C07 | C02 | C03 | H4 | 180.0° | 179.7° |
| C06 | C07 | C02 | C03 | 0.1° | 0.6° |
| C07 | C06 | N43 | C47 | 74.5° | 136.0° |
| C07 | C06 | N43 | N05 | 179.8° | 179.7° |
| C07 | C06 | N43 | C44 | 106.3° | 44.3° |
| C07 | C06 | N05 | C04 | 0.1° | 0.3° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | N05 | 0.1° | 0.0° |
| C03 | C02 | C01 | H1 | 90.0° | 90.0° |
| C03 | C02 | C01 | H2 | 30.0° | 150.0° |
| C03 | C02 | C01 | H3 | 150.0° | 30.0° |
| C02 | C03 | C04 | H5 | 179.9° | 180.0° |
| N46 | C47 | N43 | H37 | 180.0° | 179.6° |
| N46 | C47 | N43 | C06 | 179.8° | 179.8° |
| N46 | C47 | N43 | C44 | 0.5° | 0.4° |
| C47 | N46 | C45 | C44 | 0.1° | 0.3° |
| C47 | N46 | C45 | H36 | 179.9° | 179.7° |
| N43 | C47 | N46 | C45 | 0.4° | 0.4° |
| C47 | N43 | C06 | C44 | 179.2° | 179.7° |
| C47 | N43 | C06 | N05 | 105.7° | 43.7° |
| C47 | N43 | C44 | C45 | 0.4° | 0.2° |
| C47 | N43 | C44 | H35 | 179.6° | 179.8° |
| N46 | C45 | C44 | N43 | 0.2° | 0.0° |
| N46 | C45 | C44 | H36 | 180.0° | 180.0° |
| N46 | C45 | C44 | H35 | 179.8° | 180.0° |
| C45 | N46 | C47 | H37 | 179.7° | 180.0° |
| C33 | C34 | O35 | N36 | 179.8° | 180.0° |
| C33 | C34 | N36 | C37 | 0.4° | 180.0° |
| C33 | C34 | N36 | C41 | 180.0° | 0.3° |
| C34 | C33 | H23 | H24 | 119.3° | 120.0° |
| C06 | N43 | C44 | C45 | 179.7° | 180.0° |
| N43 | C06 | N05 | C04 | 179.9° | 180.0° |
| C06 | N43 | C44 | H35 | 0.3° | 0.0° |
| C06 | N43 | C47 | H37 | 0.2° | 0.2° |
| C44 | N43 | C06 | N05 | 73.5° | 136.0° |
| N43 | C44 | C45 | H35 | 180.0° | 180.0° |
| N43 | C44 | C45 | H36 | 179.8° | 180.0° |
| C44 | N43 | C47 | H37 | 179.5° | 180.0° |
| C06 | N05 | C04 | C03 | 0.0° | 0.0° |
| C06 | N05 | C04 | H5 | 180.0° | 180.0° |
| O35 | C34 | N36 | C37 | 179.7° | 0.0° |
| O35 | C34 | N36 | C41 | 0.2° | 179.7° |
| O35 | C34 | C33 | H23 | 142.0° | 120.0° |
| O35 | C34 | C33 | H24 | 98.4° | 120.0° |
| C03 | C04 | N05 | H5 | 180.0° | 180.0° |
| C34 | N36 | C37 | C41 | 179.6° | 179.7° |
| C34 | N36 | C37 | C38 | 124.5° | 128.8° |
| C34 | N36 | C41 | C40 | 124.0° | 128.9° |
| N36 | C34 | C33 | H23 | 37.8° | 60.0° |
| N36 | C34 | C33 | H24 | 81.8° | 60.0° |
| C34 | N36 | C37 | H25 | 115.3° | 111.5° |
| C34 | N36 | C37 | H26 | 4.3° | 9.1° |
| C34 | N36 | C41 | H33 | 3.8° | 9.0° |
| C34 | N36 | C41 | H34 | 115.8° | 111.5° |
| N05 | C04 | C03 | H4 | 179.9° | 180.0° |
| N36 | C37 | C38 | H25 | 120.2° | 119.7° |
| N36 | C37 | C38 | H26 | 120.2° | 119.7° |
| C37 | N36 | C41 | C40 | 55.6° | 50.8° |
| N36 | C37 | C38 | N39 | 49.9° | 53.9° |
| N36 | C37 | H25 | H26 | 119.5° | 120.5° |
| N36 | C37 | C38 | H27 | 170.3° | 173.8° |
| N36 | C37 | C38 | H28 | 70.4° | 66.1° |
| C37 | N36 | C41 | H33 | 175.8° | 170.7° |
| C37 | N36 | C41 | H34 | 64.6° | 68.8° |
| C41 | N36 | C37 | C38 | 55.1° | 50.9° |
| N36 | C41 | C40 | H33 | 120.2° | 119.9° |
| N36 | C41 | C40 | H34 | 120.2° | 119.7° |
| N36 | C41 | C40 | N39 | 50.7° | 53.5° |
| C41 | N36 | C37 | H25 | 65.1° | 68.8° |
| C41 | N36 | C37 | H26 | 175.3° | 170.6° |
| N36 | C41 | C40 | H31 | 69.5° | 173.6° |
| N36 | C41 | C40 | H32 | 171.0° | 66.4° |
| N36 | C41 | H33 | H34 | 119.4° | 120.4° |
| C37 | C38 | N39 | H27 | 120.4° | 119.9° |
| C37 | C38 | N39 | H28 | 120.4° | 120.0° |
| C37 | C38 | N39 | C40 | 49.8° | 63.1° |
| C38 | C37 | H25 | H26 | 119.5° | 120.5° |
| C37 | C38 | H27 | H28 | 118.9° | 120.1° |
| C37 | C38 | N39 | H29 | 70.6° | 61.0° |
| C41 | C40 | N39 | C38 | 50.0° | 62.9° |
| C41 | C40 | N39 | H31 | 120.3° | 120.1° |
| C41 | C40 | N39 | H32 | 120.3° | 119.8° |
| C41 | C40 | N39 | H29 | 70.4° | 61.2° |
| C41 | C40 | H31 | H32 | 119.1° | 119.9° |
| C40 | C41 | H33 | H34 | 119.5° | 120.2° |
| C38 | N39 | C40 | H29 | 120.4° | 124.2° |
| N39 | C38 | C37 | H25 | 70.3° | 65.8° |
| N39 | C38 | C37 | H26 | 170.1° | 173.6° |
| N39 | C38 | H27 | H28 | 118.9° | 120.1° |
| C38 | N39 | C40 | H31 | 70.3° | 176.9° |
| C38 | N39 | C40 | H32 | 170.3° | 56.8° |
| C40 | N39 | C38 | H27 | 170.2° | 177.0° |
| C40 | N39 | C38 | H28 | 70.5° | 56.8° |
| N39 | C40 | H31 | H32 | 119.2° | 120.1° |
| N39 | C40 | C41 | H33 | 170.9° | 173.4° |
| N39 | C40 | C41 | H34 | 69.5° | 66.2° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C03 | C04 | H5 | 0.1° | 0.0° |
| H6 | C09 | C10 | H7 | 0.1° | 0.0° |
| H7 | C10 | C11 | H8 | 0.1° | 0.0° |
| H9 | C14 | C15 | H11 | 92.0° | 179.9° |
| H9 | C14 | C15 | H12 | 149.1° | 60.0° |
| H10 | C14 | C15 | H11 | 27.2° | 60.0° |
| H10 | C14 | C15 | H12 | 91.7° | 180.0° |
| H11 | C15 | C16 | H13 | 22.4° | 180.0° |
| H11 | C15 | C16 | H14 | 142.7° | 60.0° |
| H12 | C15 | C16 | H13 | 96.5° | 60.0° |
| H12 | C15 | C16 | H14 | 23.8° | 180.0° |
| H15 | C19 | C20 | H16 | 0.0° | 0.1° |
| H16 | C20 | C21 | H17 | 0.0° | 0.0° |
| H18 | C23 | C24 | H19 | 0.1° | 0.0° |
| H19 | C24 | C25 | H20 | 0.2° | 0.0° |
| H20 | C25 | C26 | H21 | 0.1° | 0.1° |
| H25 | C37 | C38 | H27 | 50.1° | 54.1° |
| H25 | C37 | C38 | H28 | 169.4° | 174.2° |
| H26 | C37 | C38 | H27 | 69.5° | 66.5° |
| H26 | C37 | C38 | H28 | 49.7° | 53.6° |
| H27 | C38 | N39 | H29 | 49.8° | 58.9° |
| H28 | C38 | N39 | H29 | 169.0° | 179.0° |
| H29 | N39 | C40 | H31 | 169.3° | 58.9° |
| H29 | N39 | C40 | H32 | 49.9° | 179.0° |
| H31 | C40 | C41 | H33 | 50.6° | 66.5° |
| H31 | C40 | C41 | H34 | 170.3° | 53.9° |
| H32 | C40 | C41 | H33 | 68.8° | 53.5° |
| H32 | C40 | C41 | H34 | 50.8° | 173.9° |
| H35 | C44 | C45 | H36 | 0.2° | 0.0° |
