6GG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C25 | doub | 1.21Å | 1.20Å | |
| C25 | O26 | sing | 1.34Å | 1.33Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | N20 | sing | 1.35Å | 1.33Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| F | C40 | sing | 1.35Å | 1.34Å | |
| N20 | C19 | sing | 1.47Å | 1.43Å | |
| C41 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.36Å | Aromatic |
| C40 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C42 | C37 | doub | 1.40Å | 1.38Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.35Å | Aromatic |
| C16 | C13 | sing | 1.53Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | C15 | sing | 1.48Å | 1.42Å | |
| N16 | C15 | sing | 1.34Å | 1.35Å | Aromatic |
| N16 | C18 | doub | 1.30Å | 1.34Å | Aromatic |
| C12 | C3 | sing | 1.53Å | 1.49Å | |
| C15 | C14 | doub | 1.39Å | 1.46Å | Aromatic |
| C18 | N13 | sing | 1.35Å | 1.33Å | Aromatic |
| C14 | N13 | sing | 1.38Å | 1.32Å | Aromatic |
| C14 | C44 | sing | 1.47Å | 1.49Å | |
| C3 | O1 | sing | 1.43Å | 1.45Å | |
| O1 | C60 | sing | 1.35Å | 1.37Å | |
| N13 | C5 | sing | 1.47Å | 1.45Å | |
| C44 | C45 | sing | 1.47Å | 1.45Å | Aromatic |
| C44 | C48 | doub | 1.39Å | 1.43Å | Aromatic |
| C60 | C48 | sing | 1.42Å | 1.43Å | |
| C60 | O2 | doub | 1.22Å | 1.21Å | |
| C59 | C45 | doub | 1.40Å | 1.36Å | Aromatic |
| C59 | C58 | sing | 1.37Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.41Å | 1.45Å | Aromatic |
| C48 | N49 | sing | 1.38Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C58 | C57 | doub | 1.39Å | 1.39Å | Aromatic |
| N49 | C46 | sing | 1.38Å | 1.33Å | Aromatic |
| C46 | C56 | doub | 1.39Å | 1.38Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.34Å | Aromatic |
| C57 | CL1 | sing | 1.74Å | 1.78Å | |
| C11 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | CL2 | sing | 1.74Å | 1.79Å | |
| O26 | H1 | sing | 0.97Å | 0.95Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| N20 | H6 | sing | 0.97Å | 1.00Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| N49 | H19 | sing | 0.97Å | 1.00Å | |
| C56 | H20 | sing | 1.08Å | 1.08Å | |
| C59 | H21 | sing | 1.08Å | 1.08Å | |
| C58 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å | |
| C11 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| C42 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C25 | O26 | 117.8° | 120.0° |
| O28 | C25 | C24 | 118.5° | 120.0° |
| O26 | C25 | C24 | 123.7° | 120.0° |
| C25 | O26 | H1 | 109.5° | 117.0° |
| C25 | C24 | C23 | 104.7° | 109.5° |
| C25 | C24 | H2 | 110.6° | 109.5° |
| C25 | C24 | H3 | 110.6° | 109.5° |
| C24 | C23 | C21 | 115.3° | 109.5° |
| C23 | C24 | H2 | 110.7° | 109.5° |
| C23 | C24 | H3 | 110.7° | 109.5° |
| C24 | C23 | H4 | 108.0° | 109.5° |
| C24 | C23 | H5 | 108.0° | 109.5° |
| C23 | C21 | N20 | 117.1° | 120.0° |
| C23 | C21 | O22 | 120.6° | 120.0° |
| C21 | C23 | H4 | 108.0° | 109.4° |
| C21 | C23 | H5 | 108.0° | 109.5° |
| N20 | C21 | O22 | 121.9° | 120.0° |
| C21 | N20 | C19 | 119.7° | 120.0° |
| C21 | N20 | H6 | 120.2° | 119.9° |
| F | C40 | C41 | 120.7° | 119.9° |
| F | C40 | C39 | 116.7° | 119.8° |
| N20 | C19 | C17 | 110.0° | 109.5° |
| C19 | N20 | H6 | 120.1° | 120.0° |
| N20 | C19 | H7 | 109.3° | 109.5° |
| N20 | C19 | H8 | 109.4° | 109.4° |
| C40 | C41 | C42 | 120.8° | 120.2° |
| C41 | C40 | C39 | 122.5° | 120.2° |
| C40 | C41 | H32 | 119.6° | 119.9° |
| C41 | C42 | C37 | 115.9° | 119.9° |
| C42 | C41 | H32 | 119.6° | 120.0° |
| C41 | C42 | H33 | 122.0° | 120.1° |
| C40 | C39 | C38 | 117.0° | 120.1° |
| C40 | C39 | H31 | 121.5° | 120.0° |
| C19 | C17 | C16 | 107.8° | 109.5° |
| C17 | C19 | H7 | 109.4° | 109.5° |
| C17 | C19 | H8 | 109.4° | 109.5° |
| C19 | C17 | H9 | 109.9° | 109.5° |
| C19 | C17 | H10 | 109.9° | 109.5° |
| C17 | C16 | C13 | 112.9° | 109.5° |
| C16 | C17 | H9 | 109.9° | 109.5° |
| C16 | C17 | H10 | 109.9° | 109.5° |
| C17 | C16 | H11 | 108.6° | 109.5° |
| C17 | C16 | H12 | 108.6° | 109.5° |
| C42 | C37 | C38 | 123.7° | 119.8° |
| C42 | C37 | C15 | 117.2° | 120.1° |
| C37 | C42 | H33 | 122.1° | 120.0° |
| C39 | C38 | C37 | 120.1° | 119.9° |
| C39 | C38 | H30 | 120.0° | 120.0° |
| C38 | C39 | H31 | 121.5° | 119.9° |
| C16 | C13 | C12 | 106.5° | 109.5° |
| C13 | C16 | H11 | 108.6° | 109.5° |
| C13 | C16 | H12 | 108.6° | 109.4° |
| C16 | C13 | H13 | 110.2° | 109.5° |
| C16 | C13 | H14 | 110.2° | 109.4° |
| C13 | C12 | C3 | 114.9° | 109.5° |
| C12 | C13 | H13 | 110.2° | 109.5° |
| C12 | C13 | H14 | 110.2° | 109.5° |
| C13 | C12 | H15 | 108.1° | 109.5° |
| C13 | C12 | H16 | 108.1° | 109.5° |
| C38 | C37 | C15 | 119.1° | 120.1° |
| C37 | C38 | H30 | 119.9° | 120.1° |
| C37 | C15 | N16 | 123.4° | 126.3° |
| C37 | C15 | C14 | 132.2° | 126.4° |
| C15 | N16 | C18 | 108.3° | 109.6° |
| N16 | C15 | C14 | 104.2° | 107.3° |
| N16 | C18 | N13 | 111.5° | 109.6° |
| N16 | C18 | H29 | 124.3° | 125.2° |
| C12 | C3 | O1 | 113.1° | 109.5° |
| C3 | C12 | H15 | 108.1° | 109.4° |
| C3 | C12 | H16 | 108.1° | 109.5° |
| C12 | C3 | H17 | 108.6° | 109.4° |
| C12 | C3 | H18 | 108.6° | 109.5° |
| C15 | C14 | N13 | 108.5° | 106.1° |
| C15 | C14 | C44 | 127.8° | 126.9° |
| C18 | N13 | C14 | 107.2° | 107.4° |
| C18 | N13 | C5 | 123.9° | 126.3° |
| N13 | C18 | H29 | 124.2° | 125.2° |
| N13 | C14 | C44 | 122.6° | 127.0° |
| C14 | N13 | C5 | 128.8° | 126.3° |
| C14 | C44 | C45 | 122.5° | 126.8° |
| C14 | C44 | C48 | 132.8° | 126.8° |
| C3 | O1 | C60 | 116.5° | 117.0° |
| O1 | C3 | H17 | 108.5° | 109.4° |
| O1 | C3 | H18 | 108.6° | 109.5° |
| O1 | C60 | C48 | 114.9° | 120.0° |
| O1 | C60 | O2 | 126.4° | 120.0° |
| N13 | C5 | C6 | 115.2° | 109.5° |
| N13 | C5 | H23 | 108.0° | 109.4° |
| N13 | C5 | H24 | 108.0° | 109.4° |
| C45 | C44 | C48 | 104.6° | 106.4° |
| C44 | C45 | C59 | 133.8° | 133.5° |
| C44 | C45 | C46 | 104.5° | 106.5° |
| C44 | C48 | C60 | 123.5° | 125.6° |
| C44 | C48 | N49 | 110.8° | 108.8° |
| C48 | C60 | O2 | 118.6° | 120.0° |
| C60 | C48 | N49 | 125.5° | 125.6° |
| C45 | C59 | C58 | 117.7° | 119.9° |
| C59 | C45 | C46 | 121.4° | 120.0° |
| C45 | C59 | H21 | 121.1° | 120.0° |
| C59 | C58 | C57 | 120.4° | 120.4° |
| C58 | C59 | H21 | 121.1° | 120.1° |
| C59 | C58 | H22 | 119.8° | 119.8° |
| C45 | C46 | N49 | 108.9° | 108.1° |
| C45 | C46 | C56 | 118.5° | 119.2° |
| C48 | N49 | C46 | 110.8° | 110.2° |
| C48 | N49 | H19 | 124.6° | 124.9° |
| C5 | C6 | C11 | 119.2° | 120.0° |
| C5 | C6 | C7 | 118.9° | 120.0° |
| C6 | C5 | H23 | 108.0° | 109.5° |
| C6 | C5 | H24 | 108.0° | 109.5° |
| C58 | C57 | C56 | 123.2° | 120.6° |
| C58 | C57 | CL1 | 120.0° | 119.7° |
| C57 | C58 | H22 | 119.8° | 119.8° |
| N49 | C46 | C56 | 132.2° | 132.7° |
| C46 | N49 | H19 | 124.6° | 124.9° |
| C46 | C56 | C57 | 118.4° | 119.8° |
| C46 | C56 | H20 | 120.8° | 120.1° |
| C56 | C57 | CL1 | 116.8° | 119.7° |
| C57 | C56 | H20 | 120.8° | 120.1° |
| C6 | C11 | C10 | 121.0° | 120.0° |
| C11 | C6 | C7 | 121.7° | 120.0° |
| C6 | C11 | H28 | 119.5° | 120.0° |
| C11 | C10 | C9 | 117.9° | 120.0° |
| C11 | C10 | H27 | 121.1° | 120.0° |
| C10 | C11 | H28 | 119.5° | 120.0° |
| C6 | C7 | C8 | 118.0° | 120.0° |
| C6 | C7 | H25 | 121.0° | 120.0° |
| C10 | C9 | C8 | 122.1° | 119.9° |
| C10 | C9 | CL2 | 114.8° | 120.0° |
| C9 | C10 | H27 | 121.0° | 120.0° |
| C7 | C8 | C9 | 119.2° | 120.0° |
| C8 | C7 | H25 | 121.0° | 120.0° |
| C7 | C8 | H26 | 120.4° | 120.1° |
| C8 | C9 | CL2 | 123.1° | 120.0° |
| C9 | C8 | H26 | 120.4° | 120.0° |
| H2 | C24 | H3 | 109.4° | 109.5° |
| H4 | C23 | H5 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H17 | C3 | H18 | 109.5° | 109.4° |
| H23 | C5 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C25 | O26 | C24 | 179.8° | 179.8° |
| O28 | C25 | C24 | C23 | 111.3° | 0.0° |
| O28 | C25 | O26 | H1 | 0.0° | 0.0° |
| O28 | C25 | C24 | H2 | 129.4° | 120.0° |
| O28 | C25 | C24 | H3 | 8.0° | 120.0° |
| O26 | C25 | C24 | C23 | 68.5° | 179.7° |
| O26 | C25 | C24 | H2 | 50.7° | 60.3° |
| O26 | C25 | C24 | H3 | 172.2° | 59.7° |
| C25 | C24 | C23 | H2 | 119.2° | 120.0° |
| C25 | C24 | C23 | H3 | 119.3° | 120.0° |
| C25 | C24 | C23 | C21 | 150.5° | 180.0° |
| C24 | C25 | O26 | H1 | 179.8° | 179.8° |
| C25 | C24 | H2 | H3 | 122.2° | 120.0° |
| C25 | C24 | C23 | H4 | 88.7° | 60.0° |
| C25 | C24 | C23 | H5 | 29.6° | 60.0° |
| C24 | C23 | C21 | H4 | 120.8° | 120.0° |
| C24 | C23 | C21 | H5 | 120.9° | 120.0° |
| C24 | C23 | C21 | N20 | 103.6° | 180.0° |
| C24 | C23 | C21 | O22 | 83.1° | 0.0° |
| C23 | C24 | H2 | H3 | 122.2° | 120.0° |
| C24 | C23 | H4 | H5 | 117.4° | 120.0° |
| C23 | C21 | N20 | O22 | 173.2° | 179.9° |
| C23 | C21 | N20 | C19 | 168.7° | 180.0° |
| C21 | C23 | C24 | H2 | 31.3° | 60.0° |
| C21 | C23 | C24 | H3 | 90.2° | 60.0° |
| C21 | C23 | H4 | H5 | 117.3° | 120.0° |
| C23 | C21 | N20 | H6 | 11.3° | 0.1° |
| C21 | N20 | C19 | H6 | 180.0° | 180.0° |
| C21 | N20 | C19 | C17 | 158.0° | 180.0° |
| N20 | C21 | C23 | H4 | 17.3° | 60.0° |
| N20 | C21 | C23 | H5 | 135.6° | 60.0° |
| C21 | N20 | C19 | H7 | 81.9° | 60.0° |
| C21 | N20 | C19 | H8 | 37.9° | 60.0° |
| O22 | C21 | N20 | C19 | 4.6° | 0.0° |
| O22 | C21 | C23 | H4 | 156.1° | 120.0° |
| O22 | C21 | C23 | H5 | 37.8° | 120.0° |
| O22 | C21 | N20 | H6 | 175.5° | 180.0° |
| F | C40 | C41 | C39 | 176.6° | 180.0° |
| F | C40 | C41 | C42 | 177.3° | 179.8° |
| F | C40 | C39 | C38 | 177.9° | 180.0° |
| F | C40 | C39 | H31 | 2.1° | 0.0° |
| F | C40 | C41 | H32 | 2.7° | 0.1° |
| N20 | C19 | C17 | H7 | 120.1° | 120.0° |
| N20 | C19 | C17 | H8 | 120.1° | 120.0° |
| N20 | C19 | C17 | C16 | 162.1° | 180.0° |
| N20 | C19 | H7 | H8 | 119.8° | 120.0° |
| N20 | C19 | C17 | H9 | 78.1° | 60.0° |
| N20 | C19 | C17 | H10 | 42.4° | 60.0° |
| C40 | C41 | C42 | H32 | 180.0° | 179.8° |
| C40 | C41 | C42 | C37 | 0.4° | 0.5° |
| C41 | C40 | C39 | C38 | 1.2° | 0.1° |
| C41 | C40 | C39 | H31 | 178.8° | 180.0° |
| C40 | C41 | C42 | H33 | 179.6° | 180.0° |
| C42 | C41 | C40 | C39 | 0.8° | 0.2° |
| C41 | C42 | C37 | H33 | 180.0° | 179.5° |
| C41 | C42 | C37 | C38 | 1.1° | 0.6° |
| C41 | C42 | C37 | C15 | 179.0° | 179.8° |
| C40 | C39 | C38 | H31 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 0.5° | 0.0° |
| C40 | C39 | C38 | H30 | 179.5° | 180.0° |
| C39 | C40 | C41 | H32 | 179.3° | 180.0° |
| C19 | C17 | C16 | H9 | 119.7° | 120.0° |
| C19 | C17 | C16 | H10 | 119.8° | 120.0° |
| C19 | C17 | C16 | C13 | 175.9° | 180.0° |
| C17 | C19 | N20 | H6 | 22.0° | 0.0° |
| C17 | C19 | H7 | H8 | 119.8° | 120.0° |
| C19 | C17 | H9 | H10 | 120.7° | 120.0° |
| C19 | C17 | C16 | H11 | 63.6° | 60.0° |
| C19 | C17 | C16 | H12 | 55.4° | 60.0° |
| C17 | C16 | C13 | H11 | 120.5° | 120.0° |
| C17 | C16 | C13 | H12 | 120.5° | 120.0° |
| C17 | C16 | C13 | C12 | 174.1° | 180.0° |
| C16 | C17 | C19 | H7 | 42.1° | 60.0° |
| C16 | C17 | C19 | H8 | 77.8° | 60.0° |
| C16 | C17 | H9 | H10 | 120.8° | 120.0° |
| C17 | C16 | H11 | H12 | 118.4° | 120.0° |
| C17 | C16 | C13 | H13 | 66.4° | 60.0° |
| C17 | C16 | C13 | H14 | 54.5° | 60.0° |
| C42 | C37 | C38 | C39 | 0.7° | 0.3° |
| C42 | C37 | C38 | C15 | 177.9° | 179.7° |
| C42 | C37 | C15 | N16 | 32.3° | 144.7° |
| C42 | C37 | C15 | C14 | 153.6° | 35.8° |
| C42 | C37 | C38 | H30 | 179.3° | 179.7° |
| C37 | C42 | C41 | H32 | 179.6° | 179.7° |
| C39 | C38 | C37 | H30 | 180.0° | 180.0° |
| C39 | C38 | C37 | C15 | 178.6° | 180.0° |
| C16 | C13 | C12 | H13 | 119.5° | 120.0° |
| C16 | C13 | C12 | H14 | 119.5° | 120.0° |
| C16 | C13 | C12 | C3 | 102.5° | 180.0° |
| C13 | C16 | C17 | H9 | 56.2° | 60.0° |
| C13 | C16 | C17 | H10 | 64.3° | 60.0° |
| C13 | C16 | H11 | H12 | 118.4° | 119.9° |
| C16 | C13 | H13 | H14 | 121.4° | 119.9° |
| C16 | C13 | C12 | H15 | 136.7° | 60.0° |
| C16 | C13 | C12 | H16 | 18.3° | 60.0° |
| C13 | C12 | C3 | H15 | 120.8° | 120.0° |
| C13 | C12 | C3 | H16 | 120.8° | 120.1° |
| C13 | C12 | C3 | O1 | 30.3° | 180.0° |
| C12 | C13 | C16 | H11 | 53.6° | 60.0° |
| C12 | C13 | C16 | H12 | 65.4° | 60.0° |
| C12 | C13 | H13 | H14 | 121.4° | 120.0° |
| C13 | C12 | H15 | H16 | 117.6° | 120.0° |
| C13 | C12 | C3 | H17 | 150.9° | 60.0° |
| C13 | C12 | C3 | H18 | 90.2° | 59.9° |
| C38 | C37 | C15 | N16 | 145.7° | 35.0° |
| C38 | C37 | C15 | C14 | 28.3° | 144.5° |
| C37 | C38 | C39 | H31 | 179.5° | 180.0° |
| C38 | C37 | C42 | H33 | 178.9° | 179.9° |
| C37 | C15 | N16 | C14 | 175.4° | 179.6° |
| C37 | C15 | N16 | C18 | 176.4° | 179.9° |
| C37 | C15 | C14 | N13 | 178.9° | 180.0° |
| C37 | C15 | C14 | C44 | 13.0° | 0.2° |
| C15 | C37 | C38 | H30 | 1.4° | 0.1° |
| C15 | C37 | C42 | H33 | 1.0° | 0.3° |
| C15 | N16 | C18 | N13 | 2.4° | 0.3° |
| N16 | C15 | C14 | N13 | 4.0° | 0.4° |
| N16 | C15 | C14 | C44 | 172.1° | 179.8° |
| C15 | N16 | C18 | H29 | 177.6° | 179.7° |
| C18 | N16 | C15 | C14 | 0.9° | 0.4° |
| N16 | C18 | N13 | H29 | 180.0° | 179.9° |
| N16 | C18 | N13 | C14 | 5.0° | 0.1° |
| N16 | C18 | N13 | C5 | 179.3° | 180.0° |
| C12 | C3 | O1 | H17 | 120.5° | 120.0° |
| C12 | C3 | O1 | H18 | 120.5° | 120.1° |
| C12 | C3 | O1 | C60 | 129.2° | 179.9° |
| C3 | C12 | C13 | H13 | 17.0° | 60.0° |
| C3 | C12 | C13 | H14 | 137.9° | 60.0° |
| C3 | C12 | H15 | H16 | 117.5° | 120.0° |
| C12 | C3 | H17 | H18 | 118.4° | 120.0° |
| C15 | C14 | N13 | C18 | 5.5° | 0.2° |
| C15 | C14 | N13 | C44 | 168.9° | 179.8° |
| C15 | C14 | N13 | C5 | 179.1° | 179.7° |
| C15 | C14 | C44 | C45 | 63.3° | 90.3° |
| C15 | C14 | C44 | C48 | 119.6° | 89.3° |
| C18 | N13 | C14 | C5 | 175.4° | 179.9° |
| C18 | N13 | C14 | C44 | 174.3° | 180.0° |
| C18 | N13 | C5 | C6 | 121.5° | 94.9° |
| C18 | N13 | C5 | H23 | 117.6° | 25.1° |
| C18 | N13 | C5 | H24 | 0.7° | 145.1° |
| N13 | C14 | C44 | C45 | 103.3° | 89.9° |
| N13 | C14 | C44 | C48 | 73.8° | 90.5° |
| C14 | N13 | C5 | C6 | 63.7° | 85.0° |
| C14 | N13 | C5 | H23 | 57.1° | 155.0° |
| C14 | N13 | C5 | H24 | 175.4° | 35.1° |
| C14 | N13 | C18 | H29 | 175.0° | 180.0° |
| C44 | C14 | N13 | C5 | 10.2° | 0.1° |
| C14 | C44 | C45 | C48 | 177.8° | 179.7° |
| C14 | C44 | C48 | C60 | 4.8° | 0.2° |
| C14 | C44 | C45 | C59 | 1.5° | 0.3° |
| C14 | C44 | C45 | C46 | 176.1° | 179.9° |
| C14 | C44 | C48 | N49 | 179.1° | 180.0° |
| C3 | O1 | C60 | C48 | 173.9° | 180.0° |
| C3 | O1 | C60 | O2 | 9.1° | 0.1° |
| O1 | C3 | C12 | H15 | 90.4° | 60.0° |
| O1 | C3 | C12 | H16 | 151.1° | 59.9° |
| O1 | C3 | H17 | H18 | 118.3° | 120.0° |
| O1 | C60 | C48 | C44 | 3.2° | 179.8° |
| O1 | C60 | C48 | O2 | 177.3° | 179.9° |
| O1 | C60 | C48 | N49 | 178.6° | 0.0° |
| C60 | O1 | C3 | H17 | 8.7° | 60.0° |
| C60 | O1 | C3 | H18 | 110.2° | 60.0° |
| N13 | C5 | C6 | H23 | 120.9° | 120.0° |
| N13 | C5 | C6 | H24 | 120.9° | 120.0° |
| N13 | C5 | C6 | C11 | 43.1° | 90.3° |
| N13 | C5 | C6 | C7 | 141.5° | 90.0° |
| N13 | C5 | H23 | H24 | 117.4° | 119.9° |
| C5 | N13 | C18 | H29 | 0.7° | 0.1° |
| C45 | C44 | C48 | C60 | 177.6° | 179.9° |
| C44 | C45 | C59 | C46 | 173.9° | 179.6° |
| C44 | C45 | C59 | C58 | 179.3° | 179.7° |
| C45 | C44 | C48 | N49 | 1.6° | 0.4° |
| C44 | C45 | C46 | N49 | 4.5° | 0.3° |
| C44 | C45 | C46 | C56 | 177.9° | 179.8° |
| C44 | C45 | C59 | H21 | 0.7° | 0.1° |
| C44 | C48 | C60 | N49 | 175.4° | 179.8° |
| C44 | C48 | C60 | O2 | 174.1° | 0.3° |
| C48 | C44 | C45 | C59 | 176.3° | 180.0° |
| C48 | C44 | C45 | C46 | 1.7° | 0.4° |
| C44 | C48 | N49 | C46 | 4.7° | 0.2° |
| C44 | C48 | N49 | H19 | 175.3° | 179.7° |
| C60 | C48 | N49 | C46 | 179.3° | 180.0° |
| C60 | C48 | N49 | H19 | 0.7° | 0.1° |
| O2 | C60 | C48 | N49 | 1.4° | 180.0° |
| C45 | C59 | C58 | H21 | 180.0° | 179.7° |
| C45 | C59 | C58 | C57 | 1.9° | 0.2° |
| C59 | C45 | C46 | N49 | 180.0° | 179.9° |
| C59 | C45 | C46 | C56 | 6.7° | 0.1° |
| C45 | C59 | C58 | H22 | 178.1° | 180.0° |
| C58 | C59 | C45 | C46 | 5.5° | 0.2° |
| C59 | C58 | C57 | H22 | 180.0° | 179.8° |
| C59 | C58 | C57 | C56 | 0.7° | 0.1° |
| C59 | C58 | C57 | CL1 | 177.8° | 179.9° |
| C45 | C46 | N49 | C48 | 5.8° | 0.0° |
| C45 | C46 | N49 | C56 | 172.1° | 180.0° |
| C45 | C46 | C56 | C57 | 3.9° | 0.0° |
| C45 | C46 | N49 | H19 | 174.2° | 180.0° |
| C45 | C46 | C56 | H20 | 176.0° | 179.9° |
| C46 | C45 | C59 | H21 | 174.6° | 179.5° |
| C48 | N49 | C46 | H19 | 180.0° | 179.9° |
| C48 | N49 | C46 | C56 | 178.0° | 180.0° |
| C5 | C6 | C11 | C7 | 175.3° | 179.7° |
| C5 | C6 | C11 | C10 | 177.2° | 179.8° |
| C5 | C6 | C7 | C8 | 176.3° | 180.0° |
| C6 | C5 | H23 | H24 | 117.3° | 120.1° |
| C5 | C6 | C7 | H25 | 3.7° | 0.0° |
| C5 | C6 | C11 | H28 | 2.8° | 0.0° |
| C58 | C57 | C56 | C46 | 0.5° | 0.0° |
| C58 | C57 | C56 | CL1 | 177.1° | 180.0° |
| C58 | C57 | C56 | H20 | 179.5° | 179.9° |
| C57 | C58 | C59 | H21 | 178.2° | 179.5° |
| N49 | C46 | C56 | C57 | 175.5° | 180.0° |
| N49 | C46 | C56 | H20 | 4.5° | 0.0° |
| C46 | C56 | C57 | H20 | 180.0° | 179.9° |
| C46 | C56 | C57 | CL1 | 176.7° | 180.0° |
| C56 | C46 | N49 | H19 | 2.0° | 0.1° |
| C56 | C57 | C58 | H22 | 179.3° | 179.9° |
| CL1 | C57 | C56 | H20 | 3.3° | 0.1° |
| CL1 | C57 | C58 | H22 | 2.3° | 0.1° |
| C6 | C11 | C10 | H28 | 180.0° | 179.8° |
| C6 | C11 | C10 | C9 | 1.8° | 0.5° |
| C11 | C6 | C7 | C8 | 1.0° | 0.3° |
| C11 | C6 | C5 | H23 | 163.9° | 149.7° |
| C11 | C6 | C5 | H24 | 77.8° | 29.7° |
| C11 | C6 | C7 | H25 | 179.0° | 179.8° |
| C6 | C11 | C10 | H27 | 178.2° | 179.8° |
| C10 | C11 | C6 | C7 | 1.9° | 0.5° |
| C11 | C10 | C9 | H27 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 0.7° | 0.2° |
| C11 | C10 | C9 | CL2 | 179.4° | 179.8° |
| C6 | C7 | C8 | H25 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C6 | C5 | H23 | 20.6° | 30.0° |
| C7 | C6 | C5 | H24 | 97.6° | 150.0° |
| C6 | C7 | C8 | H26 | 179.9° | 180.0° |
| C7 | C6 | C11 | H28 | 178.1° | 179.7° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C10 | C9 | C8 | CL2 | 179.9° | 180.0° |
| C10 | C9 | C8 | H26 | 179.8° | 180.0° |
| C9 | C10 | C11 | H28 | 178.3° | 179.8° |
| C7 | C8 | C9 | H26 | 180.0° | 180.0° |
| C7 | C8 | C9 | CL2 | 179.7° | 180.0° |
| C9 | C8 | C7 | H25 | 180.0° | 180.0° |
| C8 | C9 | C10 | H27 | 179.2° | 180.0° |
| CL2 | C9 | C8 | H26 | 0.3° | 0.0° |
| CL2 | C9 | C10 | H27 | 0.6° | 0.0° |
| H2 | C24 | C23 | H4 | 152.1° | 180.0° |
| H2 | C24 | C23 | H5 | 89.6° | 60.0° |
| H3 | C24 | C23 | H4 | 30.6° | 60.0° |
| H3 | C24 | C23 | H5 | 148.9° | 180.0° |
| H6 | N20 | C19 | H7 | 98.1° | 120.0° |
| H6 | N20 | C19 | H8 | 142.1° | 120.0° |
| H7 | C19 | C17 | H9 | 161.8° | 180.0° |
| H7 | C19 | C17 | H10 | 77.7° | 60.0° |
| H8 | C19 | C17 | H9 | 42.0° | 60.0° |
| H8 | C19 | C17 | H10 | 162.5° | 180.0° |
| H9 | C17 | C16 | H11 | 176.7° | 180.0° |
| H9 | C17 | C16 | H12 | 64.3° | 60.0° |
| H10 | C17 | C16 | H11 | 56.2° | 60.0° |
| H10 | C17 | C16 | H12 | 175.2° | 179.9° |
| H11 | C16 | C13 | H13 | 173.1° | 180.0° |
| H11 | C16 | C13 | H14 | 66.0° | 60.0° |
| H12 | C16 | C13 | H13 | 54.1° | 60.0° |
| H12 | C16 | C13 | H14 | 175.1° | 180.0° |
| H13 | C13 | C12 | H15 | 103.8° | 180.0° |
| H13 | C13 | C12 | H16 | 137.8° | 60.0° |
| H14 | C13 | C12 | H15 | 17.1° | 60.0° |
| H14 | C13 | C12 | H16 | 101.3° | 179.9° |
| H15 | C12 | C3 | H17 | 30.1° | 180.0° |
| H15 | C12 | C3 | H18 | 149.0° | 60.0° |
| H16 | C12 | C3 | H17 | 88.3° | 60.0° |
| H16 | C12 | C3 | H18 | 30.6° | 180.0° |
| H21 | C59 | C58 | H22 | 1.9° | 0.3° |
| H25 | C7 | C8 | H26 | 0.0° | 0.0° |
| H27 | C10 | C11 | H28 | 1.7° | 0.0° |
| H30 | C38 | C39 | H31 | 0.5° | 0.0° |
| H32 | C41 | C42 | H33 | 0.4° | 0.2° |
