G79
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| O39 | C2 | sing | 1.36Å | 1.36Å | |
| O39 | C40 | sing | 1.43Å | 1.41Å | |
| C38 | C32 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.47Å | |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.77Å | |
| C43 | C42 | sing | 1.57Å | 1.51Å | |
| C43 | C30 | sing | 1.55Å | 1.51Å | |
| C32 | C19 | sing | 1.53Å | 1.53Å | |
| C42 | O41 | sing | 1.44Å | 1.42Å | |
| S8 | O10 | doub | 1.42Å | 1.49Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| O41 | C29 | sing | 1.44Å | 1.44Å | |
| C30 | C29 | sing | 1.55Å | 1.52Å | |
| C30 | C31 | sing | 1.55Å | 1.53Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C29 | O28 | sing | 1.44Å | 1.42Å | |
| N11 | C16 | sing | 1.46Å | 1.46Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| O22 | C21 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C31 | C24 | sing | 1.53Å | 1.52Å | |
| C31 | C27 | sing | 1.54Å | 1.51Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O23 | sing | 1.35Å | 1.40Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| O23 | C24 | sing | 1.45Å | 1.42Å | |
| C24 | C44 | sing | 1.53Å | 1.50Å | |
| O28 | C27 | sing | 1.43Å | 1.41Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.51Å | 1.49Å | |
| C44 | C25 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | 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 | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| O18 | H17 | sing | 0.97Å | 0.95Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| N20 | H19 | sing | 0.97Å | 1.00Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C43 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 118.8° | 120.0° |
| C35 | C36 | C37 | 121.6° | 120.0° |
| C36 | C35 | H33 | 120.6° | 120.0° |
| C35 | C36 | H34 | 119.2° | 120.0° |
| C35 | C34 | C33 | 120.3° | 120.0° |
| C35 | C34 | H32 | 119.9° | 120.0° |
| C34 | C35 | H33 | 120.6° | 120.0° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C37 | C36 | H34 | 119.2° | 120.0° |
| C36 | C37 | H35 | 120.0° | 120.0° |
| C34 | C33 | C38 | 119.8° | 120.0° |
| C34 | C33 | H31 | 120.1° | 120.0° |
| C33 | C34 | H32 | 119.8° | 120.0° |
| C37 | C38 | C33 | 119.4° | 120.0° |
| C37 | C38 | C32 | 119.6° | 120.0° |
| C38 | C37 | H35 | 120.0° | 119.9° |
| C33 | C38 | C32 | 121.1° | 120.0° |
| C38 | C33 | H31 | 120.1° | 120.0° |
| C4 | C3 | C2 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H1 | 120.0° | 120.0° |
| C3 | C4 | H2 | 119.8° | 120.0° |
| C3 | C2 | O39 | 117.0° | 120.1° |
| C3 | C2 | C7 | 118.8° | 119.9° |
| C2 | C3 | H1 | 120.0° | 120.1° |
| C2 | O39 | C40 | 113.1° | 117.0° |
| O39 | C2 | C7 | 124.1° | 120.0° |
| O39 | C40 | H36 | 109.5° | 109.4° |
| O39 | C40 | H37 | 109.5° | 109.4° |
| O39 | C40 | H38 | 109.5° | 109.5° |
| C38 | C32 | C19 | 111.0° | 109.5° |
| C38 | C32 | H29 | 109.1° | 109.5° |
| C38 | C32 | H30 | 109.1° | 109.4° |
| C4 | C5 | C6 | 119.4° | 120.1° |
| C4 | C5 | S8 | 119.4° | 119.9° |
| C5 | C4 | H2 | 119.8° | 120.0° |
| C2 | C7 | C6 | 120.4° | 119.9° |
| C2 | C7 | H4 | 119.8° | 120.0° |
| O9 | S8 | C5 | 104.5° | 106.4° |
| O9 | S8 | O10 | 118.7° | 123.2° |
| O9 | S8 | N11 | 109.3° | 106.4° |
| C7 | C6 | C5 | 120.4° | 120.1° |
| C7 | C6 | H3 | 119.8° | 119.9° |
| C6 | C7 | H4 | 119.8° | 120.1° |
| C6 | C5 | S8 | 121.2° | 119.9° |
| C5 | C6 | H3 | 119.8° | 120.0° |
| C5 | S8 | O10 | 106.6° | 106.4° |
| C5 | S8 | N11 | 112.3° | 107.2° |
| C42 | C43 | C30 | 106.1° | 101.9° |
| C43 | C42 | O41 | 106.2° | 103.4° |
| C43 | C42 | H39 | 110.3° | 111.1° |
| C43 | C42 | H40 | 110.3° | 110.3° |
| C42 | C43 | H41 | 110.3° | 110.9° |
| C42 | C43 | H42 | 110.3° | 110.9° |
| C43 | C30 | C29 | 103.2° | 104.1° |
| C43 | C30 | C31 | 111.2° | 108.4° |
| C43 | C30 | H27 | 113.0° | 113.5° |
| C30 | C43 | H41 | 110.3° | 111.2° |
| C30 | C43 | H42 | 110.3° | 110.7° |
| C32 | C19 | N20 | 107.3° | 109.4° |
| C32 | C19 | C17 | 113.0° | 109.5° |
| C32 | C19 | H18 | 109.0° | 109.5° |
| C19 | C32 | H29 | 109.1° | 109.5° |
| C19 | C32 | H30 | 109.1° | 109.5° |
| C42 | O41 | C29 | 105.0° | 107.3° |
| O41 | C42 | H39 | 110.3° | 110.6° |
| O41 | C42 | H40 | 110.3° | 110.6° |
| O10 | S8 | N11 | 105.6° | 106.4° |
| S8 | N11 | C16 | 119.9° | 120.1° |
| S8 | N11 | C12 | 114.9° | 120.0° |
| O41 | C29 | C30 | 107.6° | 107.5° |
| O41 | C29 | O28 | 111.3° | 108.4° |
| O41 | C29 | H26 | 110.8° | 111.3° |
| C29 | C30 | C31 | 103.4° | 104.0° |
| C30 | C29 | O28 | 106.3° | 106.8° |
| C30 | C29 | H26 | 109.6° | 111.4° |
| C29 | C30 | H27 | 112.8° | 113.1° |
| C30 | C31 | C24 | 111.1° | 106.7° |
| C30 | C31 | C27 | 101.7° | 101.2° |
| C31 | C30 | H27 | 112.5° | 112.9° |
| C30 | C31 | H28 | 110.7° | 112.5° |
| N20 | C19 | C17 | 108.8° | 109.5° |
| C19 | N20 | C21 | 120.1° | 120.0° |
| N20 | C19 | H18 | 109.9° | 109.5° |
| C19 | N20 | H19 | 119.9° | 120.1° |
| C19 | C17 | C16 | 112.8° | 109.4° |
| C19 | C17 | O18 | 111.2° | 109.5° |
| C19 | C17 | H16 | 107.3° | 109.4° |
| C17 | C19 | H18 | 108.9° | 109.5° |
| C29 | O28 | C27 | 111.2° | 105.9° |
| O28 | C29 | H26 | 111.1° | 111.3° |
| C16 | N11 | C12 | 115.5° | 120.0° |
| N11 | C16 | C17 | 112.4° | 109.5° |
| N11 | C16 | H14 | 108.8° | 109.5° |
| N11 | C16 | H15 | 108.7° | 109.4° |
| N11 | C12 | C13 | 115.8° | 109.5° |
| N11 | C12 | H5 | 107.9° | 109.4° |
| N11 | C12 | H6 | 107.8° | 109.5° |
| O22 | C21 | N20 | 129.5° | 120.0° |
| O22 | C21 | O23 | 119.9° | 120.0° |
| C16 | C17 | O18 | 109.6° | 109.5° |
| C17 | C16 | H14 | 108.7° | 109.5° |
| C17 | C16 | H15 | 108.7° | 109.5° |
| C16 | C17 | H16 | 107.3° | 109.5° |
| C24 | C31 | C27 | 111.1° | 110.7° |
| C31 | C24 | O23 | 109.4° | 109.2° |
| C31 | C24 | C44 | 112.4° | 110.8° |
| C31 | C24 | H20 | 107.7° | 109.2° |
| C24 | C31 | H28 | 110.8° | 112.2° |
| C31 | C27 | O28 | 104.8° | 104.3° |
| C31 | C27 | C26 | 117.9° | 113.3° |
| C31 | C27 | H25 | 106.1° | 108.2° |
| C27 | C31 | H28 | 111.1° | 112.8° |
| N20 | C21 | O23 | 110.6° | 120.0° |
| C21 | N20 | H19 | 120.0° | 119.9° |
| C21 | O23 | C24 | 114.5° | 117.0° |
| O18 | C17 | H16 | 108.5° | 109.5° |
| C17 | O18 | H17 | 109.5° | 114.0° |
| O23 | C24 | C44 | 110.3° | 109.2° |
| O23 | C24 | H20 | 109.1° | 109.2° |
| C24 | C44 | C25 | 110.8° | 108.6° |
| C44 | C24 | H20 | 107.9° | 109.2° |
| C24 | C44 | H43 | 109.1° | 109.6° |
| C24 | C44 | H44 | 109.1° | 109.6° |
| O28 | C27 | C26 | 113.9° | 113.2° |
| O28 | C27 | H25 | 107.2° | 108.7° |
| C12 | C13 | C14 | 113.8° | 109.5° |
| C12 | C13 | C15 | 111.5° | 109.5° |
| C13 | C12 | H5 | 107.9° | 109.5° |
| C13 | C12 | H6 | 107.9° | 109.5° |
| C12 | C13 | H7 | 107.6° | 109.4° |
| C27 | C26 | C25 | 110.0° | 111.5° |
| C27 | C26 | H23 | 109.3° | 109.1° |
| C27 | C26 | H24 | 109.3° | 109.0° |
| C26 | C27 | H25 | 106.2° | 108.8° |
| C44 | C25 | C26 | 110.5° | 108.3° |
| C44 | C25 | H21 | 109.2° | 109.7° |
| C44 | C25 | H22 | 109.2° | 109.7° |
| C25 | C44 | H43 | 109.2° | 109.6° |
| C25 | C44 | H44 | 109.2° | 109.6° |
| C14 | C13 | C15 | 108.6° | 109.5° |
| C14 | C13 | H7 | 107.5° | 109.4° |
| C13 | C14 | H8 | 109.5° | 109.4° |
| C13 | C14 | H9 | 109.5° | 109.4° |
| C13 | C14 | H10 | 109.4° | 109.5° |
| C15 | C13 | H7 | 107.5° | 109.5° |
| C13 | C15 | H11 | 109.5° | 109.4° |
| C13 | C15 | H12 | 109.4° | 109.5° |
| C13 | C15 | H13 | 109.5° | 109.5° |
| C26 | C25 | H21 | 109.3° | 109.7° |
| C26 | C25 | H22 | 109.2° | 109.7° |
| C25 | C26 | H23 | 109.3° | 109.1° |
| C25 | C26 | H24 | 109.4° | 109.1° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.7° |
| H23 | C26 | H24 | 109.5° | 109.1° |
| H29 | C32 | H30 | 109.5° | 109.4° |
| H36 | C40 | H37 | 109.4° | 109.5° |
| H36 | C40 | H38 | 109.5° | 109.5° |
| H37 | C40 | H38 | 109.5° | 109.5° |
| H39 | C42 | H40 | 109.5° | 110.5° |
| H41 | C43 | H42 | 109.5° | 110.9° |
| H43 | C44 | H44 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H33 | 180.0° | 179.9° |
| C35 | C36 | C37 | H34 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 3.9° | 0.0° |
| C35 | C36 | C37 | C38 | 1.6° | 0.0° |
| C36 | C35 | C34 | H32 | 176.0° | 180.0° |
| C35 | C36 | C37 | H35 | 178.4° | 180.0° |
| C34 | C35 | C36 | C37 | 3.1° | 0.0° |
| C35 | C34 | C33 | H32 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 3.4° | 0.0° |
| C35 | C34 | C33 | H31 | 176.6° | 179.8° |
| C34 | C35 | C36 | H34 | 176.9° | 179.9° |
| C36 | C37 | C38 | H35 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 1.0° | 0.0° |
| C36 | C37 | C38 | C32 | 179.7° | 179.7° |
| C37 | C36 | C35 | H33 | 176.9° | 179.9° |
| C34 | C33 | C38 | C37 | 1.9° | 0.0° |
| C34 | C33 | C38 | H31 | 180.0° | 179.8° |
| C34 | C33 | C38 | C32 | 178.8° | 179.7° |
| C33 | C34 | C35 | H33 | 176.0° | 179.9° |
| C37 | C38 | C33 | C32 | 179.4° | 179.8° |
| C37 | C38 | C32 | C19 | 67.7° | 90.2° |
| C37 | C38 | C32 | H29 | 52.5° | 149.7° |
| C37 | C38 | C32 | H30 | 172.1° | 29.8° |
| C37 | C38 | C33 | H31 | 178.2° | 179.8° |
| C38 | C37 | C36 | H34 | 178.4° | 180.0° |
| C33 | C38 | C32 | C19 | 112.9° | 90.0° |
| C33 | C38 | C32 | H29 | 126.8° | 30.0° |
| C33 | C38 | C32 | H30 | 7.3° | 150.0° |
| C38 | C33 | C34 | H32 | 176.6° | 180.0° |
| C33 | C38 | C37 | H35 | 179.0° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | O39 | 178.6° | 179.7° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 3.0° | 0.0° |
| C3 | C4 | C5 | C6 | 9.1° | 0.0° |
| C3 | C4 | C5 | S8 | 168.9° | 180.0° |
| C3 | C2 | O39 | C7 | 175.4° | 179.7° |
| C3 | C2 | O39 | C40 | 176.4° | 0.3° |
| C2 | C3 | C4 | C5 | 8.5° | 0.0° |
| C3 | C2 | C7 | C6 | 1.7° | 0.0° |
| C2 | C3 | C4 | H2 | 171.5° | 180.0° |
| C3 | C2 | C7 | H4 | 178.2° | 179.9° |
| O39 | C2 | C7 | C6 | 173.6° | 179.7° |
| O39 | C2 | C3 | H1 | 1.4° | 0.3° |
| O39 | C2 | C7 | H4 | 6.4° | 0.3° |
| C2 | O39 | C40 | H36 | 180.0° | 180.0° |
| C2 | O39 | C40 | H37 | 60.0° | 60.0° |
| C2 | O39 | C40 | H38 | 60.0° | 60.0° |
| C40 | O39 | C2 | C7 | 8.2° | 180.0° |
| O39 | C40 | H36 | H37 | 120.0° | 120.0° |
| O39 | C40 | H36 | H38 | 120.0° | 120.0° |
| O39 | C40 | H37 | H38 | 120.0° | 120.0° |
| C38 | C32 | C19 | H29 | 120.2° | 120.1° |
| C38 | C32 | C19 | H30 | 120.2° | 120.0° |
| C38 | C32 | C19 | N20 | 58.9° | 65.1° |
| C38 | C32 | C19 | C17 | 178.8° | 175.0° |
| C38 | C32 | C19 | H18 | 60.0° | 54.9° |
| C38 | C32 | H29 | H30 | 119.3° | 119.9° |
| C32 | C38 | C33 | H31 | 1.2° | 0.0° |
| C32 | C38 | C37 | H35 | 0.3° | 0.2° |
| C4 | C5 | S8 | O9 | 34.9° | 156.5° |
| C4 | C5 | C6 | C7 | 4.3° | 0.0° |
| C4 | C5 | C6 | S8 | 178.0° | 180.0° |
| C4 | C5 | S8 | O10 | 161.3° | 23.6° |
| C4 | C5 | S8 | N11 | 83.5° | 90.0° |
| C5 | C4 | C3 | H1 | 171.6° | 180.0° |
| C4 | C5 | C6 | H3 | 175.7° | 180.0° |
| C2 | C7 | C6 | H4 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 1.1° | 0.0° |
| C7 | C2 | C3 | H1 | 177.0° | 180.0° |
| C2 | C7 | C6 | H3 | 178.9° | 180.0° |
| O9 | S8 | C5 | C6 | 147.2° | 23.5° |
| O9 | S8 | C5 | O10 | 126.4° | 132.9° |
| O9 | S8 | C5 | N11 | 118.4° | 113.5° |
| O9 | S8 | O10 | N11 | 123.0° | 123.0° |
| O9 | S8 | N11 | C16 | 27.7° | 23.5° |
| O9 | S8 | N11 | C12 | 172.1° | 156.5° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | S8 | 173.7° | 180.0° |
| C6 | C5 | S8 | O10 | 20.7° | 156.5° |
| C6 | C5 | S8 | N11 | 94.5° | 90.0° |
| C6 | C5 | C4 | H2 | 170.9° | 180.0° |
| C5 | C6 | C7 | H4 | 178.9° | 180.0° |
| C5 | S8 | O10 | N11 | 119.6° | 114.1° |
| C5 | S8 | N11 | C16 | 87.8° | 90.0° |
| C5 | S8 | N11 | C12 | 56.7° | 90.0° |
| S8 | C5 | C4 | H2 | 11.1° | 0.0° |
| S8 | C5 | C6 | H3 | 6.3° | 0.0° |
| C42 | C43 | C30 | H41 | 119.5° | 118.2° |
| C42 | C43 | C30 | H42 | 119.5° | 118.0° |
| C43 | C42 | O41 | H39 | 119.5° | 119.1° |
| C43 | C42 | O41 | H40 | 119.5° | 118.1° |
| C43 | C42 | O41 | C29 | 34.1° | 39.4° |
| C42 | C43 | C30 | C29 | 1.4° | 21.8° |
| C42 | C43 | C30 | C31 | 109.0° | 132.1° |
| C42 | C43 | C30 | H27 | 123.4° | 101.6° |
| C43 | C42 | H39 | H40 | 121.5° | 122.8° |
| C42 | C43 | H41 | H42 | 121.6° | 123.7° |
| C30 | C43 | C42 | O41 | 21.7° | 37.3° |
| C43 | C30 | C29 | O41 | 19.4° | 0.5° |
| C43 | C30 | C29 | C31 | 116.0° | 113.5° |
| C43 | C30 | C29 | H27 | 122.2° | 123.7° |
| C43 | C30 | C31 | H27 | 127.9° | 126.6° |
| C43 | C30 | C29 | O28 | 100.0° | 116.6° |
| C43 | C30 | C31 | C24 | 162.2° | 154.7° |
| C43 | C30 | C31 | C27 | 79.4° | 89.5° |
| C43 | C30 | C29 | H26 | 139.9° | 121.7° |
| C43 | C30 | C31 | H28 | 38.6° | 31.2° |
| C30 | C43 | C42 | H39 | 141.2° | 156.0° |
| C30 | C43 | C42 | H40 | 97.8° | 81.1° |
| C30 | C43 | H41 | H42 | 121.6° | 123.7° |
| C32 | C19 | N20 | C17 | 122.5° | 120.0° |
| C32 | C19 | N20 | H18 | 118.3° | 120.0° |
| C32 | C19 | C17 | H18 | 121.2° | 120.0° |
| C32 | C19 | C17 | C16 | 71.4° | 65.0° |
| C32 | C19 | N20 | C21 | 115.4° | 85.0° |
| C32 | C19 | C17 | O18 | 52.2° | 55.0° |
| C32 | C19 | C17 | H16 | 170.7° | 175.0° |
| C32 | C19 | N20 | H19 | 64.7° | 95.1° |
| C19 | C32 | H29 | H30 | 119.3° | 120.0° |
| C42 | O41 | C29 | C30 | 33.7° | 25.3° |
| C42 | O41 | C29 | O28 | 82.3° | 140.3° |
| C42 | O41 | C29 | H26 | 153.5° | 96.9° |
| O41 | C42 | H39 | H40 | 121.5° | 122.9° |
| O41 | C42 | C43 | H41 | 141.2° | 155.7° |
| O41 | C42 | C43 | H42 | 97.7° | 80.6° |
| O10 | S8 | N11 | C16 | 156.4° | 156.5° |
| O10 | S8 | N11 | C12 | 59.1° | 23.5° |
| S8 | N11 | C16 | C12 | 144.2° | 180.0° |
| S8 | N11 | C16 | C17 | 113.4° | 94.0° |
| S8 | N11 | C12 | C13 | 133.7° | 93.2° |
| S8 | N11 | C12 | H5 | 12.7° | 146.8° |
| S8 | N11 | C12 | H6 | 105.4° | 26.8° |
| S8 | N11 | C16 | H14 | 126.2° | 145.9° |
| S8 | N11 | C16 | H15 | 7.1° | 26.0° |
| O41 | C29 | C30 | O28 | 119.3° | 116.1° |
| O41 | C29 | C30 | H26 | 120.5° | 122.2° |
| O41 | C29 | C30 | C31 | 135.4° | 113.0° |
| O41 | C29 | O28 | H26 | 124.0° | 122.7° |
| O41 | C29 | O28 | C27 | 110.3° | 87.2° |
| O41 | C29 | C30 | H27 | 102.9° | 124.1° |
| C29 | O41 | C42 | H39 | 153.5° | 158.4° |
| C29 | O41 | C42 | H40 | 85.4° | 78.8° |
| C29 | C30 | C31 | H27 | 122.0° | 123.0° |
| C30 | C29 | O28 | H26 | 119.1° | 121.8° |
| C29 | C30 | C31 | C24 | 87.6° | 94.9° |
| C29 | C30 | C31 | C27 | 30.7° | 20.9° |
| C30 | C29 | O28 | C27 | 6.5° | 28.3° |
| C29 | C30 | C31 | H28 | 148.8° | 141.6° |
| C29 | C30 | C43 | H41 | 120.8° | 140.0° |
| C29 | C30 | C43 | H42 | 118.1° | 96.2° |
| C31 | C30 | C29 | O28 | 16.0° | 3.1° |
| C30 | C31 | C24 | C27 | 112.5° | 109.3° |
| C30 | C31 | C24 | H28 | 123.5° | 123.6° |
| C30 | C31 | C27 | H28 | 117.8° | 120.5° |
| C30 | C31 | C24 | O23 | 36.8° | 43.2° |
| C30 | C31 | C24 | C44 | 159.7° | 163.5° |
| C30 | C31 | C27 | O28 | 35.2° | 38.8° |
| C30 | C31 | C27 | C26 | 163.2° | 162.4° |
| C30 | C31 | C24 | H20 | 81.6° | 76.2° |
| C30 | C31 | C27 | H25 | 78.0° | 76.8° |
| C31 | C30 | C29 | H26 | 104.1° | 124.8° |
| C31 | C30 | C43 | H41 | 10.5° | 109.6° |
| C31 | C30 | C43 | H42 | 131.6° | 14.1° |
| N20 | C19 | C17 | H18 | 119.7° | 120.0° |
| C19 | N20 | C21 | O22 | 8.8° | 0.1° |
| N20 | C19 | C17 | C16 | 169.6° | 175.0° |
| C19 | N20 | C21 | H19 | 180.0° | 179.9° |
| C19 | N20 | C21 | O23 | 169.8° | 180.0° |
| N20 | C19 | C17 | O18 | 66.8° | 65.0° |
| N20 | C19 | C17 | H16 | 51.7° | 55.1° |
| N20 | C19 | C32 | H29 | 179.1° | 55.0° |
| N20 | C19 | C32 | H30 | 61.4° | 175.0° |
| C19 | C17 | C16 | N11 | 67.6° | 175.0° |
| C19 | C17 | C16 | O18 | 124.5° | 120.0° |
| C19 | C17 | C16 | H16 | 117.9° | 120.0° |
| C17 | C19 | N20 | C21 | 122.1° | 155.0° |
| C19 | C17 | O18 | H16 | 117.8° | 120.0° |
| C19 | C17 | C16 | H14 | 171.9° | 65.0° |
| C19 | C17 | C16 | H15 | 52.8° | 55.0° |
| C19 | C17 | O18 | H17 | 180.0° | 60.0° |
| C17 | C19 | N20 | H19 | 57.9° | 24.9° |
| C17 | C19 | C32 | H29 | 61.0° | 64.9° |
| C17 | C19 | C32 | H30 | 58.5° | 55.0° |
| C29 | O28 | C27 | C31 | 26.9° | 42.6° |
| C29 | O28 | C27 | C26 | 157.3° | 166.3° |
| C29 | O28 | C27 | H25 | 85.5° | 72.7° |
| O28 | C29 | C30 | H27 | 137.8° | 119.8° |
| N11 | C16 | C17 | H14 | 120.4° | 120.1° |
| N11 | C16 | C17 | H15 | 120.4° | 120.0° |
| N11 | C16 | C17 | O18 | 167.9° | 65.0° |
| C16 | N11 | C12 | C13 | 80.3° | 86.8° |
| C16 | N11 | C12 | H5 | 158.7° | 33.2° |
| C16 | N11 | C12 | H6 | 40.6° | 153.1° |
| N11 | C16 | H14 | H15 | 118.7° | 120.0° |
| N11 | C16 | C17 | H16 | 50.3° | 55.0° |
| C12 | N11 | C16 | C17 | 102.4° | 86.0° |
| N11 | C12 | C13 | H5 | 120.9° | 119.9° |
| N11 | C12 | C13 | H6 | 120.9° | 120.0° |
| N11 | C12 | C13 | C14 | 57.0° | 63.0° |
| N11 | C12 | C13 | C15 | 179.7° | 176.9° |
| N11 | C12 | H5 | H6 | 117.1° | 120.0° |
| N11 | C12 | C13 | H7 | 62.1° | 56.9° |
| C12 | N11 | C16 | H14 | 18.0° | 34.1° |
| C12 | N11 | C16 | H15 | 137.1° | 154.1° |
| O22 | C21 | N20 | O23 | 178.5° | 180.0° |
| O22 | C21 | O23 | C24 | 3.2° | 0.0° |
| O22 | C21 | N20 | H19 | 171.2° | 179.9° |
| C16 | C17 | O18 | H16 | 116.8° | 120.0° |
| C17 | C16 | H14 | H15 | 118.7° | 120.0° |
| C16 | C17 | O18 | H17 | 54.6° | 60.0° |
| C16 | C17 | C19 | H18 | 49.8° | 55.0° |
| C24 | C31 | C27 | H28 | 123.8° | 126.7° |
| C31 | C24 | O23 | C21 | 134.5° | 148.7° |
| C31 | C24 | O23 | C44 | 124.1° | 121.3° |
| C31 | C24 | O23 | H20 | 117.6° | 119.3° |
| C31 | C24 | C44 | H20 | 118.6° | 120.3° |
| C24 | C31 | C27 | O28 | 83.1° | 74.0° |
| C24 | C31 | C27 | C26 | 44.8° | 49.6° |
| C31 | C24 | C44 | C25 | 56.8° | 62.1° |
| C24 | C31 | C27 | H25 | 163.6° | 170.4° |
| C24 | C31 | C30 | H27 | 34.4° | 28.1° |
| C31 | C24 | C44 | H43 | 63.5° | 57.6° |
| C31 | C24 | C44 | H44 | 176.9° | 178.2° |
| C27 | C31 | C24 | O23 | 75.7° | 66.1° |
| C27 | C31 | C24 | C44 | 47.2° | 54.2° |
| C31 | C27 | O28 | C26 | 130.3° | 123.6° |
| C31 | C27 | O28 | H25 | 112.4° | 115.3° |
| C31 | C27 | C26 | H25 | 118.7° | 120.4° |
| C31 | C27 | C26 | C25 | 49.1° | 52.7° |
| C27 | C31 | C24 | H20 | 165.9° | 174.5° |
| C31 | C27 | C26 | H23 | 169.2° | 67.8° |
| C31 | C27 | C26 | H24 | 71.0° | 173.1° |
| C27 | C31 | C30 | H27 | 152.7° | 143.9° |
| N20 | C21 | O23 | C24 | 175.5° | 179.9° |
| C21 | N20 | C19 | H18 | 3.0° | 34.9° |
| C21 | O23 | C24 | C44 | 101.4° | 90.0° |
| O23 | C21 | N20 | H19 | 10.3° | 0.1° |
| C21 | O23 | C24 | H20 | 16.9° | 29.4° |
| O18 | C17 | C16 | H14 | 47.4° | 55.0° |
| O18 | C17 | C16 | H15 | 71.7° | 175.0° |
| O18 | C17 | C19 | H18 | 173.5° | 175.0° |
| O23 | C24 | C44 | H20 | 119.0° | 119.4° |
| O23 | C24 | C44 | C25 | 65.6° | 58.2° |
| O23 | C24 | C31 | H28 | 160.3° | 166.8° |
| O23 | C24 | C44 | H43 | 174.2° | 177.9° |
| O23 | C24 | C44 | H44 | 54.6° | 61.5° |
| C24 | C44 | C25 | H43 | 120.2° | 119.7° |
| C24 | C44 | C25 | H44 | 120.2° | 119.7° |
| C24 | C44 | C25 | C26 | 60.9° | 63.5° |
| C24 | C44 | C25 | H21 | 179.0° | 56.2° |
| C24 | C44 | C25 | H22 | 59.3° | 176.8° |
| C44 | C24 | C31 | H28 | 76.8° | 72.9° |
| C24 | C44 | H43 | H44 | 119.4° | 120.5° |
| O28 | C27 | C26 | H25 | 117.8° | 121.0° |
| O28 | C27 | C26 | C25 | 74.4° | 65.8° |
| O28 | C27 | C26 | H23 | 45.7° | 173.7° |
| O28 | C27 | C26 | H24 | 165.5° | 54.6° |
| C27 | O28 | C29 | H26 | 125.7° | 150.1° |
| O28 | C27 | C31 | H28 | 153.0° | 159.3° |
| C12 | C13 | C14 | C15 | 124.9° | 120.1° |
| C12 | C13 | C14 | H7 | 119.0° | 119.9° |
| C12 | C13 | C15 | H7 | 117.7° | 120.0° |
| C13 | C12 | H5 | H6 | 117.1° | 120.0° |
| C12 | C13 | C14 | H8 | 180.0° | 52.8° |
| C12 | C13 | C14 | H9 | 60.0° | 172.8° |
| C12 | C13 | C14 | H10 | 60.0° | 67.2° |
| C12 | C13 | C15 | H11 | 180.0° | 59.9° |
| C12 | C13 | C15 | H12 | 60.0° | 180.0° |
| C12 | C13 | C15 | H13 | 60.0° | 60.0° |
| C27 | C26 | C25 | C44 | 55.3° | 59.0° |
| C27 | C26 | C25 | H23 | 120.1° | 120.5° |
| C27 | C26 | C25 | H24 | 120.1° | 120.4° |
| C27 | C26 | C25 | H21 | 175.4° | 60.7° |
| C27 | C26 | C25 | H22 | 64.9° | 178.8° |
| C27 | C26 | H23 | H24 | 119.7° | 119.0° |
| C26 | C27 | C31 | H28 | 79.0° | 77.1° |
| C44 | C25 | C26 | H21 | 120.1° | 119.7° |
| C44 | C25 | C26 | H22 | 120.1° | 119.8° |
| C25 | C44 | C24 | H20 | 175.4° | 177.6° |
| C44 | C25 | H21 | H22 | 119.5° | 120.6° |
| C44 | C25 | C26 | H23 | 175.4° | 61.5° |
| C44 | C25 | C26 | H24 | 64.8° | 179.5° |
| C25 | C44 | H43 | H44 | 119.4° | 120.4° |
| C14 | C13 | C15 | H7 | 116.1° | 120.0° |
| C14 | C13 | C12 | H5 | 64.0° | 56.9° |
| C14 | C13 | C12 | H6 | 177.9° | 177.0° |
| C13 | C14 | H8 | H9 | 120.0° | 119.9° |
| C13 | C14 | H8 | H10 | 120.0° | 120.1° |
| C13 | C14 | H9 | H10 | 120.0° | 120.0° |
| C14 | C13 | C15 | H11 | 53.7° | 180.0° |
| C14 | C13 | C15 | H12 | 66.2° | 60.0° |
| C14 | C13 | C15 | H13 | 173.7° | 60.0° |
| C15 | C13 | C12 | H5 | 59.4° | 63.1° |
| C15 | C13 | C12 | H6 | 58.8° | 56.9° |
| C15 | C13 | C14 | H8 | 55.1° | 67.2° |
| C15 | C13 | C14 | H9 | 175.1° | 52.7° |
| C15 | C13 | C14 | H10 | 64.9° | 172.7° |
| C13 | C15 | H11 | H12 | 120.0° | 120.0° |
| C13 | C15 | H11 | H13 | 120.0° | 120.0° |
| C13 | C15 | H12 | H13 | 120.0° | 120.0° |
| C26 | C25 | H21 | H22 | 119.6° | 120.6° |
| C25 | C26 | H23 | H24 | 119.8° | 119.1° |
| C25 | C26 | C27 | H25 | 167.8° | 173.1° |
| C26 | C25 | C44 | H43 | 59.3° | 56.2° |
| C26 | C25 | C44 | H44 | 179.0° | 176.8° |
| H1 | C3 | C4 | H2 | 8.4° | 0.0° |
| H3 | C6 | C7 | H4 | 1.1° | 0.0° |
| H5 | C12 | C13 | H7 | 177.0° | 176.9° |
| H6 | C12 | C13 | H7 | 58.9° | 63.1° |
| H7 | C13 | C14 | H8 | 61.0° | 172.7° |
| H7 | C13 | C14 | H9 | 59.0° | 67.3° |
| H7 | C13 | C14 | H10 | 179.0° | 52.7° |
| H7 | C13 | C15 | H11 | 62.3° | 60.0° |
| H7 | C13 | C15 | H12 | 177.7° | 60.0° |
| H7 | C13 | C15 | H13 | 57.7° | 180.0° |
| H8 | C14 | H9 | H10 | 120.0° | 120.1° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H14 | C16 | C17 | H16 | 70.2° | 175.1° |
| H15 | C16 | C17 | H16 | 170.7° | 65.0° |
| H16 | C17 | O18 | H17 | 62.2° | 179.9° |
| H16 | C17 | C19 | H18 | 68.0° | 65.0° |
| H18 | C19 | N20 | H19 | 177.0° | 145.0° |
| H18 | C19 | C32 | H29 | 60.2° | 175.0° |
| H18 | C19 | C32 | H30 | 179.7° | 65.0° |
| H20 | C24 | C31 | H28 | 41.9° | 47.4° |
| H20 | C24 | C44 | H43 | 55.2° | 62.7° |
| H20 | C24 | C44 | H44 | 64.4° | 57.9° |
| H21 | C25 | C26 | H23 | 64.5° | 178.8° |
| H21 | C25 | C26 | H24 | 55.4° | 59.8° |
| H21 | C25 | C44 | H43 | 60.9° | 175.9° |
| H21 | C25 | C44 | H44 | 58.8° | 63.5° |
| H22 | C25 | C26 | H23 | 55.2° | 58.3° |
| H22 | C25 | C26 | H24 | 175.1° | 60.8° |
| H22 | C25 | C44 | H43 | 179.5° | 63.5° |
| H22 | C25 | C44 | H44 | 60.9° | 57.0° |
| H23 | C26 | C27 | H25 | 72.1° | 52.6° |
| H24 | C26 | C27 | H25 | 47.7° | 66.4° |
| H25 | C27 | C31 | H28 | 39.8° | 43.7° |
| H26 | C29 | C30 | H27 | 17.7° | 2.0° |
| H27 | C30 | C31 | H28 | 89.2° | 95.4° |
| H27 | C30 | C43 | H41 | 117.1° | 16.6° |
| H27 | C30 | C43 | H42 | 4.0° | 140.4° |
| H31 | C33 | C34 | H32 | 3.4° | 0.3° |
| H32 | C34 | C35 | H33 | 4.0° | 0.0° |
| H33 | C35 | C36 | H34 | 3.1° | 0.0° |
| H34 | C36 | C37 | H35 | 1.6° | 0.1° |
| H36 | C40 | H37 | H38 | 120.0° | 120.1° |
| H39 | C42 | C43 | H41 | 99.4° | 85.6° |
| H39 | C42 | C43 | H42 | 21.7° | 38.1° |
| H40 | C42 | C43 | H41 | 21.7° | 37.4° |
| H40 | C42 | C43 | H42 | 142.8° | 161.1° |
