8FM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O39 | C2 | sing | 1.36Å | 1.37Å | |
| O39 | C40 | sing | 1.43Å | 1.43Å | |
| C38 | C32 | sing | 1.51Å | 1.53Å | |
| O9 | S8 | doub | 1.42Å | 1.49Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.76Å | |
| C32 | C19 | sing | 1.53Å | 1.54Å | |
| S8 | O10 | doub | 1.42Å | 1.49Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| C19 | N20 | sing | 1.47Å | 1.47Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.54Å | 1.52Å | |
| C31 | C27 | sing | 1.56Å | 1.52Å | |
| C31 | C24 | sing | 1.54Å | 1.53Å | |
| C30 | O29 | sing | 1.44Å | 1.43Å | |
| O22 | C21 | doub | 1.21Å | 1.23Å | |
| N11 | C16 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.46Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| C27 | C28 | sing | 1.55Å | 1.52Å | |
| C27 | C26 | sing | 1.54Å | 1.52Å | |
| C21 | O23 | sing | 1.35Å | 1.36Å | |
| C24 | O23 | sing | 1.45Å | 1.44Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| O29 | C28 | sing | 1.47Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C28 | O42 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.55Å | 1.53Å | |
| C25 | C41 | sing | 1.54Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| O42 | C41 | sing | 1.42Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| N20 | H23 | sing | 0.97Å | 1.00Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 119.1° | 120.0° |
| C35 | C36 | C37 | 121.2° | 120.0° |
| C36 | C35 | H28 | 120.4° | 120.0° |
| C35 | C36 | H29 | 119.4° | 120.0° |
| C35 | C34 | C33 | 119.8° | 120.0° |
| C35 | C34 | H27 | 120.1° | 120.0° |
| C34 | C35 | H28 | 120.4° | 120.0° |
| C36 | C37 | C38 | 119.3° | 120.0° |
| C37 | C36 | H29 | 119.4° | 120.0° |
| C36 | C37 | H30 | 120.3° | 120.0° |
| C34 | C33 | C38 | 120.7° | 120.0° |
| C34 | C33 | H26 | 119.6° | 120.0° |
| C33 | C34 | H27 | 120.1° | 120.0° |
| C37 | C38 | C33 | 119.8° | 120.0° |
| C37 | C38 | C32 | 120.4° | 120.0° |
| C38 | C37 | H30 | 120.4° | 120.0° |
| C33 | C38 | C32 | 119.8° | 120.0° |
| C38 | C33 | H26 | 119.7° | 120.0° |
| C2 | C7 | C6 | 120.2° | 120.0° |
| C7 | C2 | O39 | 118.6° | 120.0° |
| C7 | C2 | C3 | 119.3° | 119.9° |
| C2 | C7 | H3 | 119.9° | 120.0° |
| C7 | C6 | C5 | 121.4° | 120.0° |
| C7 | C6 | H2 | 119.3° | 120.0° |
| C6 | C7 | H3 | 119.9° | 120.0° |
| C2 | O39 | C40 | 108.6° | 117.0° |
| O39 | C2 | C3 | 122.0° | 120.1° |
| O39 | C40 | H19 | 109.5° | 109.4° |
| O39 | C40 | H20 | 109.5° | 109.5° |
| O39 | C40 | H21 | 109.5° | 109.5° |
| C38 | C32 | C19 | 108.3° | 109.5° |
| C38 | C32 | H24 | 109.8° | 109.5° |
| C38 | C32 | H25 | 109.8° | 109.5° |
| O9 | S8 | C5 | 110.5° | 106.4° |
| O9 | S8 | O10 | 112.8° | 123.1° |
| O9 | S8 | N11 | 108.2° | 106.4° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H18 | 120.1° | 120.0° |
| C6 | C5 | C4 | 118.3° | 120.1° |
| C6 | C5 | S8 | 119.9° | 119.9° |
| C5 | C6 | H2 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C3 | C4 | H1 | 119.6° | 120.0° |
| C4 | C3 | H18 | 120.2° | 120.1° |
| C4 | C5 | S8 | 121.8° | 120.0° |
| C5 | C4 | H1 | 119.6° | 119.9° |
| C5 | S8 | O10 | 108.1° | 106.4° |
| C5 | S8 | N11 | 110.1° | 107.2° |
| C32 | C19 | N20 | 107.8° | 109.4° |
| C32 | C19 | C17 | 111.9° | 109.5° |
| C32 | C19 | H10 | 108.7° | 109.4° |
| C19 | C32 | H24 | 109.7° | 109.5° |
| C19 | C32 | H25 | 109.7° | 109.5° |
| O10 | S8 | N11 | 107.0° | 106.4° |
| S8 | N11 | C16 | 114.8° | 120.0° |
| S8 | N11 | C12 | 114.2° | 120.0° |
| N20 | C19 | C17 | 109.7° | 109.5° |
| C19 | N20 | C21 | 125.0° | 120.0° |
| N20 | C19 | H10 | 109.7° | 109.5° |
| C19 | N20 | H23 | 117.5° | 120.0° |
| C19 | C17 | C16 | 114.2° | 109.5° |
| C19 | C17 | O18 | 110.5° | 109.5° |
| C19 | C17 | H8 | 107.1° | 109.5° |
| C17 | C19 | H10 | 108.9° | 109.5° |
| C30 | C31 | C27 | 102.6° | 103.0° |
| C30 | C31 | C24 | 110.9° | 109.8° |
| C31 | C30 | O29 | 109.5° | 106.8° |
| C31 | C30 | H36 | 109.5° | 110.0° |
| C31 | C30 | H37 | 109.5° | 110.0° |
| C30 | C31 | H38 | 112.1° | 112.6° |
| C27 | C31 | C24 | 106.9° | 104.8° |
| C31 | C27 | C28 | 103.3° | 99.9° |
| C31 | C27 | C26 | 104.0° | 104.4° |
| C31 | C27 | H34 | 113.8° | 114.4° |
| C27 | C31 | H38 | 112.0° | 112.7° |
| C31 | C24 | O23 | 110.2° | 109.9° |
| C31 | C24 | C25 | 104.4° | 107.1° |
| C31 | C24 | H9 | 110.9° | 110.1° |
| C24 | C31 | H38 | 111.9° | 113.1° |
| C30 | O29 | C28 | 107.7° | 104.3° |
| O29 | C30 | H36 | 109.5° | 110.0° |
| O29 | C30 | H37 | 109.5° | 109.9° |
| O22 | C21 | N20 | 121.7° | 120.0° |
| O22 | C21 | O23 | 120.4° | 120.0° |
| C16 | N11 | C12 | 114.8° | 120.0° |
| N11 | C16 | C17 | 111.6° | 109.5° |
| N11 | C16 | H16 | 108.9° | 109.5° |
| N11 | C16 | H17 | 108.9° | 109.4° |
| N11 | C12 | C13 | 111.6° | 109.5° |
| N11 | C12 | H11 | 109.0° | 109.5° |
| N11 | C12 | H12 | 108.9° | 109.5° |
| C16 | C17 | O18 | 109.5° | 109.5° |
| C16 | C17 | H8 | 107.0° | 109.4° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H17 | 108.9° | 109.5° |
| N20 | C21 | O23 | 118.0° | 120.0° |
| C21 | N20 | H23 | 117.5° | 120.0° |
| C28 | C27 | C26 | 107.3° | 110.4° |
| C27 | C28 | O29 | 109.3° | 100.2° |
| C27 | C28 | O42 | 109.2° | 111.3° |
| C28 | C27 | H34 | 113.7° | 113.3° |
| C27 | C28 | H35 | 107.3° | 113.4° |
| C27 | C26 | C25 | 100.6° | 101.5° |
| C27 | C26 | H32 | 111.7° | 111.0° |
| C27 | C26 | H33 | 111.6° | 111.0° |
| C26 | C27 | H34 | 113.7° | 113.3° |
| C21 | O23 | C24 | 114.5° | 117.0° |
| O23 | C24 | C25 | 107.8° | 110.0° |
| O23 | C24 | H9 | 112.3° | 109.9° |
| C24 | C25 | C26 | 103.4° | 104.0° |
| C24 | C25 | C41 | 107.1° | 107.8° |
| C25 | C24 | H9 | 110.9° | 109.9° |
| C24 | C25 | H31 | 113.0° | 113.0° |
| O18 | C17 | H8 | 108.3° | 109.4° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| O29 | C28 | O42 | 114.0° | 102.6° |
| O29 | C28 | H35 | 108.5° | 114.8° |
| C12 | C13 | C14 | 111.5° | 109.5° |
| C12 | C13 | C15 | 108.6° | 109.5° |
| C12 | C13 | H4 | 109.2° | 109.4° |
| C13 | C12 | H11 | 108.9° | 109.4° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C28 | O42 | C41 | 110.0° | 119.4° |
| O42 | C28 | H35 | 108.4° | 113.3° |
| C26 | C25 | C41 | 107.0° | 104.3° |
| C26 | C25 | H31 | 112.9° | 113.9° |
| C25 | C26 | H32 | 111.6° | 111.0° |
| C25 | C26 | H33 | 111.6° | 111.1° |
| C25 | C41 | O42 | 108.9° | 108.4° |
| C41 | C25 | H31 | 112.8° | 113.0° |
| C25 | C41 | H39 | 109.6° | 109.7° |
| C25 | C41 | H40 | 109.6° | 109.8° |
| C14 | C13 | C15 | 109.2° | 109.4° |
| C14 | C13 | H4 | 109.2° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C15 | C13 | H4 | 109.1° | 109.5° |
| C13 | C15 | H5 | 109.5° | 109.5° |
| C13 | C15 | H6 | 109.5° | 109.4° |
| C13 | C15 | H7 | 109.5° | 109.5° |
| O42 | C41 | H39 | 109.6° | 109.6° |
| O42 | C41 | H40 | 109.6° | 109.7° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H13 | C14 | H15 | 109.4° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.4° |
| H19 | C40 | H20 | 109.5° | 109.5° |
| H19 | C40 | H21 | 109.5° | 109.5° |
| H20 | C40 | H21 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.4° |
| H32 | C26 | H33 | 109.5° | 110.9° |
| H36 | C30 | H37 | 109.5° | 110.0° |
| H39 | C41 | H40 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H28 | 180.0° | 179.9° |
| C35 | C36 | C37 | H29 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 1.5° | 0.1° |
| C35 | C36 | C37 | C38 | 0.6° | 0.1° |
| C36 | C35 | C34 | H27 | 178.5° | 180.0° |
| C35 | C36 | C37 | H30 | 179.4° | 180.0° |
| C34 | C35 | C36 | C37 | 0.4° | 0.1° |
| C35 | C34 | C33 | H27 | 180.0° | 179.9° |
| C35 | C34 | C33 | C38 | 3.0° | 0.0° |
| C35 | C34 | C33 | H26 | 177.0° | 179.7° |
| C34 | C35 | C36 | H29 | 179.6° | 179.9° |
| C36 | C37 | C38 | H30 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 0.9° | 0.0° |
| C36 | C37 | C38 | C32 | 178.1° | 179.8° |
| C37 | C36 | C35 | H28 | 179.7° | 179.9° |
| C34 | C33 | C38 | C37 | 2.8° | 0.0° |
| C34 | C33 | C38 | H26 | 180.0° | 179.7° |
| C34 | C33 | C38 | C32 | 176.2° | 179.8° |
| C33 | C34 | C35 | H28 | 178.5° | 179.9° |
| C37 | C38 | C33 | C32 | 179.0° | 179.7° |
| C37 | C38 | C32 | C19 | 75.0° | 90.3° |
| C37 | C38 | C32 | H24 | 44.8° | 149.7° |
| C37 | C38 | C32 | H25 | 165.2° | 29.8° |
| C37 | C38 | C33 | H26 | 177.3° | 179.7° |
| C38 | C37 | C36 | H29 | 179.4° | 180.0° |
| C33 | C38 | C32 | C19 | 104.0° | 90.0° |
| C33 | C38 | C32 | H24 | 136.2° | 30.1° |
| C33 | C38 | C32 | H25 | 15.8° | 150.0° |
| C38 | C33 | C34 | H27 | 177.0° | 179.9° |
| C33 | C38 | C37 | H30 | 179.1° | 180.0° |
| C2 | C7 | C6 | H3 | 180.0° | 179.8° |
| C7 | C2 | O39 | C3 | 179.4° | 179.8° |
| C7 | C2 | O39 | C40 | 165.6° | 180.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.1° |
| C7 | C2 | C3 | C4 | 7.4° | 0.5° |
| C2 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C2 | C3 | H18 | 172.6° | 179.8° |
| C6 | C7 | C2 | O39 | 176.4° | 180.0° |
| C6 | C7 | C2 | C3 | 4.2° | 0.2° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.9° | 0.1° |
| C7 | C6 | C5 | S8 | 179.6° | 179.9° |
| O39 | C2 | C3 | C4 | 173.2° | 179.7° |
| O39 | C2 | C7 | H3 | 3.6° | 0.2° |
| O39 | C2 | C3 | H18 | 6.8° | 0.0° |
| C2 | O39 | C40 | H19 | 180.0° | 60.0° |
| C2 | O39 | C40 | H20 | 60.0° | 180.0° |
| C2 | O39 | C40 | H21 | 60.0° | 60.0° |
| C40 | O39 | C2 | C3 | 15.0° | 0.2° |
| O39 | C40 | H19 | H20 | 120.0° | 120.0° |
| O39 | C40 | H19 | H21 | 120.0° | 120.0° |
| O39 | C40 | H20 | H21 | 120.0° | 120.0° |
| C38 | C32 | C19 | H24 | 119.8° | 120.0° |
| C38 | C32 | C19 | H25 | 119.8° | 120.0° |
| C38 | C32 | C19 | N20 | 60.9° | 65.0° |
| C38 | C32 | C19 | C17 | 178.3° | 175.0° |
| C38 | C32 | C19 | H10 | 57.9° | 55.0° |
| C38 | C32 | H24 | H25 | 120.6° | 120.0° |
| C32 | C38 | C33 | H26 | 3.7° | 0.0° |
| C32 | C38 | C37 | H30 | 1.9° | 0.3° |
| O9 | S8 | C5 | C6 | 31.9° | 23.6° |
| O9 | S8 | C5 | C4 | 146.8° | 156.5° |
| O9 | S8 | C5 | O10 | 123.9° | 132.9° |
| O9 | S8 | C5 | N11 | 119.5° | 113.5° |
| O9 | S8 | O10 | N11 | 118.9° | 122.9° |
| O9 | S8 | N11 | C16 | 35.1° | 23.5° |
| O9 | S8 | N11 | C12 | 170.8° | 156.5° |
| C2 | C3 | C4 | H18 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 6.6° | 0.5° |
| C2 | C3 | C4 | H1 | 173.4° | 179.7° |
| C3 | C2 | C7 | H3 | 175.8° | 180.0° |
| C6 | C5 | C4 | C3 | 2.4° | 0.2° |
| C6 | C5 | C4 | S8 | 178.7° | 179.9° |
| C6 | C5 | S8 | O10 | 155.8° | 156.5° |
| C6 | C5 | S8 | N11 | 87.6° | 90.0° |
| C6 | C5 | C4 | H1 | 177.6° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | S8 | 176.3° | 179.7° |
| C4 | C5 | S8 | O10 | 22.9° | 23.6° |
| C4 | C5 | S8 | N11 | 93.8° | 90.0° |
| C4 | C5 | C6 | H2 | 179.1° | 180.0° |
| C5 | C4 | C3 | H18 | 173.4° | 179.8° |
| C5 | S8 | O10 | N11 | 118.6° | 114.1° |
| C5 | S8 | N11 | C16 | 85.8° | 90.0° |
| C5 | S8 | N11 | C12 | 49.9° | 90.0° |
| S8 | C5 | C4 | H1 | 3.7° | 0.1° |
| S8 | C5 | C6 | H2 | 0.4° | 0.1° |
| C32 | C19 | N20 | C17 | 122.1° | 120.0° |
| C32 | C19 | N20 | H10 | 118.2° | 119.9° |
| C32 | C19 | C17 | H10 | 120.2° | 120.0° |
| C32 | C19 | C17 | C16 | 72.7° | 65.0° |
| C32 | C19 | N20 | C21 | 111.6° | 85.0° |
| C32 | C19 | C17 | O18 | 51.3° | 55.0° |
| C32 | C19 | C17 | H8 | 169.0° | 175.0° |
| C32 | C19 | N20 | H23 | 68.4° | 95.1° |
| C19 | C32 | H24 | H25 | 120.5° | 120.0° |
| O10 | S8 | N11 | C16 | 156.9° | 156.4° |
| O10 | S8 | N11 | C12 | 67.4° | 23.6° |
| S8 | N11 | C16 | C12 | 135.4° | 180.0° |
| S8 | N11 | C16 | C17 | 117.1° | 94.1° |
| S8 | N11 | C12 | C13 | 153.9° | 93.1° |
| S8 | N11 | C12 | H11 | 33.5° | 26.8° |
| S8 | N11 | C12 | H12 | 85.8° | 146.9° |
| S8 | N11 | C16 | H16 | 122.7° | 26.0° |
| S8 | N11 | C16 | H17 | 3.3° | 145.9° |
| N20 | C19 | C17 | H10 | 120.1° | 120.0° |
| C19 | N20 | C21 | O22 | 6.7° | 0.0° |
| N20 | C19 | C17 | C16 | 167.6° | 175.0° |
| C19 | N20 | C21 | H23 | 180.0° | 180.0° |
| C19 | N20 | C21 | O23 | 173.8° | 180.0° |
| N20 | C19 | C17 | O18 | 68.4° | 65.0° |
| N20 | C19 | C17 | H8 | 49.3° | 55.0° |
| N20 | C19 | C32 | H24 | 179.2° | 55.1° |
| N20 | C19 | C32 | H25 | 58.9° | 175.0° |
| C19 | C17 | C16 | N11 | 64.4° | 175.0° |
| C19 | C17 | C16 | O18 | 124.5° | 120.0° |
| C19 | C17 | C16 | H8 | 118.3° | 120.0° |
| C17 | C19 | N20 | C21 | 126.2° | 155.0° |
| C19 | C17 | O18 | H8 | 117.0° | 120.0° |
| C19 | C17 | C16 | H16 | 175.3° | 54.9° |
| C19 | C17 | C16 | H17 | 55.9° | 65.0° |
| C19 | C17 | O18 | H22 | 180.0° | 60.0° |
| C17 | C19 | N20 | H23 | 53.8° | 25.0° |
| C17 | C19 | C32 | H24 | 58.5° | 65.0° |
| C17 | C19 | C32 | H25 | 61.9° | 55.0° |
| C30 | C31 | C27 | C24 | 116.7° | 114.9° |
| C30 | C31 | C27 | H38 | 120.4° | 121.7° |
| C30 | C31 | C24 | H38 | 126.0° | 126.8° |
| C31 | C30 | O29 | H36 | 120.0° | 119.4° |
| C31 | C30 | O29 | H37 | 120.0° | 119.3° |
| C30 | C31 | C27 | C28 | 26.9° | 28.3° |
| C30 | C31 | C27 | C26 | 138.9° | 142.6° |
| C30 | C31 | C24 | O23 | 10.2° | 6.7° |
| C30 | C31 | C24 | C25 | 105.4° | 112.7° |
| C31 | C30 | O29 | C28 | 11.3° | 31.0° |
| C30 | C31 | C24 | H9 | 135.2° | 127.8° |
| C30 | C31 | C27 | H34 | 96.9° | 93.0° |
| C31 | C30 | H36 | H37 | 120.0° | 121.4° |
| C27 | C31 | C24 | H38 | 123.0° | 123.2° |
| C27 | C31 | C30 | O29 | 24.5° | 0.2° |
| C31 | C27 | C28 | C26 | 109.5° | 109.6° |
| C31 | C27 | C28 | H34 | 123.8° | 122.1° |
| C31 | C27 | C26 | H34 | 124.3° | 125.1° |
| C27 | C31 | C24 | O23 | 121.2° | 116.7° |
| C27 | C31 | C24 | C25 | 5.7° | 2.7° |
| C31 | C27 | C28 | O29 | 21.9° | 47.2° |
| C31 | C27 | C28 | O42 | 103.4° | 60.8° |
| C31 | C27 | C26 | C25 | 40.9° | 41.6° |
| C27 | C31 | C24 | H9 | 113.8° | 122.2° |
| C31 | C27 | C26 | H32 | 159.5° | 76.5° |
| C31 | C27 | C26 | H33 | 77.6° | 159.7° |
| C31 | C27 | C28 | H35 | 139.4° | 170.0° |
| C27 | C31 | C30 | H36 | 144.5° | 119.6° |
| C27 | C31 | C30 | H37 | 95.5° | 119.1° |
| C24 | C31 | C30 | O29 | 89.3° | 111.4° |
| C24 | C31 | C27 | C28 | 89.8° | 86.5° |
| C24 | C31 | C27 | C26 | 22.2° | 27.7° |
| C31 | C24 | O23 | C21 | 113.0° | 150.9° |
| C31 | C24 | O23 | C25 | 113.3° | 117.7° |
| C31 | C24 | O23 | H9 | 124.2° | 121.2° |
| C31 | C24 | C25 | H9 | 119.5° | 119.5° |
| C31 | C24 | C25 | C26 | 31.4° | 23.0° |
| C31 | C24 | C25 | C41 | 81.4° | 87.3° |
| C31 | C24 | C25 | H31 | 153.8° | 147.0° |
| C24 | C31 | C27 | H34 | 146.4° | 152.1° |
| C24 | C31 | C30 | H36 | 30.7° | 129.2° |
| C24 | C31 | C30 | H37 | 150.7° | 7.9° |
| C30 | O29 | C28 | C27 | 6.9° | 49.2° |
| C30 | O29 | C28 | O42 | 115.6° | 65.4° |
| C30 | O29 | C28 | H35 | 123.6° | 171.1° |
| O29 | C30 | H36 | H37 | 120.0° | 121.3° |
| O29 | C30 | C31 | H38 | 144.9° | 121.6° |
| O22 | C21 | N20 | O23 | 179.5° | 180.0° |
| O22 | C21 | O23 | C24 | 24.6° | 0.0° |
| O22 | C21 | N20 | H23 | 173.3° | 180.0° |
| N11 | C16 | C17 | H16 | 120.3° | 120.1° |
| N11 | C16 | C17 | H17 | 120.3° | 119.9° |
| N11 | C16 | C17 | O18 | 171.1° | 65.0° |
| C16 | N11 | C12 | C13 | 70.4° | 86.9° |
| N11 | C16 | C17 | H8 | 54.0° | 55.0° |
| C16 | N11 | C12 | H11 | 169.2° | 153.2° |
| C16 | N11 | C12 | H12 | 49.9° | 33.1° |
| N11 | C16 | H16 | H17 | 119.0° | 119.9° |
| C12 | N11 | C16 | C17 | 107.5° | 85.9° |
| N11 | C12 | C13 | H11 | 120.3° | 120.0° |
| N11 | C12 | C13 | H12 | 120.3° | 120.0° |
| N11 | C12 | C13 | C14 | 62.0° | 63.1° |
| N11 | C12 | C13 | C15 | 177.7° | 177.0° |
| N11 | C12 | C13 | H4 | 58.8° | 56.9° |
| N11 | C12 | H11 | H12 | 119.0° | 120.0° |
| C12 | N11 | C16 | H16 | 12.8° | 154.0° |
| C12 | N11 | C16 | H17 | 132.2° | 34.1° |
| C16 | C17 | O18 | H8 | 116.4° | 120.0° |
| C16 | C17 | C19 | H10 | 47.5° | 55.0° |
| C17 | C16 | H16 | H17 | 119.1° | 120.0° |
| C16 | C17 | O18 | H22 | 53.3° | 60.0° |
| N20 | C21 | O23 | C24 | 155.9° | 180.0° |
| C21 | N20 | C19 | H10 | 6.6° | 35.0° |
| C28 | C27 | C26 | H34 | 126.7° | 128.3° |
| C27 | C28 | O29 | O42 | 122.4° | 114.7° |
| C27 | C28 | O29 | H35 | 116.7° | 121.9° |
| C27 | C28 | O42 | H35 | 116.5° | 129.2° |
| C28 | C27 | C26 | C25 | 68.1° | 65.0° |
| C27 | C28 | O42 | C41 | 60.8° | 42.6° |
| C28 | C27 | C26 | H32 | 50.5° | 176.9° |
| C28 | C27 | C26 | H33 | 173.4° | 53.1° |
| C28 | C27 | C31 | H38 | 147.3° | 150.0° |
| C27 | C26 | C25 | C24 | 44.8° | 39.6° |
| C26 | C27 | C28 | O29 | 131.4° | 156.7° |
| C26 | C27 | C28 | O42 | 6.1° | 48.8° |
| C27 | C26 | C25 | H32 | 118.6° | 118.0° |
| C27 | C26 | C25 | H33 | 118.6° | 118.1° |
| C27 | C26 | C25 | C41 | 68.1° | 73.2° |
| C27 | C26 | C25 | H31 | 167.3° | 163.1° |
| C27 | C26 | H32 | H33 | 124.1° | 123.9° |
| C26 | C27 | C28 | H35 | 111.1° | 80.4° |
| C26 | C27 | C31 | H38 | 100.7° | 95.7° |
| C21 | O23 | C24 | C25 | 133.6° | 91.4° |
| C21 | O23 | C24 | H9 | 11.2° | 29.7° |
| O23 | C21 | N20 | H23 | 6.2° | 0.0° |
| O23 | C24 | C25 | H9 | 123.3° | 121.1° |
| O23 | C24 | C25 | C26 | 148.6° | 142.3° |
| O23 | C24 | C25 | C41 | 35.8° | 32.1° |
| O23 | C24 | C25 | H31 | 89.0° | 93.6° |
| O23 | C24 | C31 | H38 | 115.8° | 120.1° |
| C24 | C25 | C26 | C41 | 112.9° | 112.8° |
| C24 | C25 | C26 | H31 | 122.5° | 123.5° |
| C24 | C25 | C41 | H31 | 124.9° | 125.6° |
| C24 | C25 | C41 | O42 | 103.8° | 43.0° |
| C24 | C25 | C26 | H32 | 163.4° | 78.4° |
| C24 | C25 | C26 | H33 | 73.8° | 157.7° |
| C25 | C24 | C31 | H38 | 128.7° | 120.5° |
| C24 | C25 | C41 | H39 | 136.3° | 162.7° |
| C24 | C25 | C41 | H40 | 16.1° | 76.7° |
| O18 | C17 | C19 | H10 | 171.5° | 175.0° |
| O18 | C17 | C16 | H16 | 50.8° | 175.0° |
| O18 | C17 | C16 | H17 | 68.6° | 55.0° |
| O29 | C28 | O42 | H35 | 120.9° | 124.4° |
| O29 | C28 | O42 | C41 | 61.7° | 148.9° |
| O29 | C28 | C27 | H34 | 101.9° | 75.0° |
| C28 | O29 | C30 | H36 | 131.3° | 150.4° |
| C28 | O29 | C30 | H37 | 108.6° | 88.3° |
| C12 | C13 | C14 | C15 | 120.0° | 120.0° |
| C12 | C13 | C14 | H4 | 120.8° | 120.0° |
| C12 | C13 | C15 | H4 | 118.9° | 120.0° |
| C12 | C13 | C15 | H5 | 180.0° | 59.9° |
| C12 | C13 | C15 | H6 | 60.0° | 60.0° |
| C12 | C13 | C15 | H7 | 60.0° | 180.0° |
| C13 | C12 | H11 | H12 | 119.0° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 52.8° |
| C12 | C13 | C14 | H14 | 60.0° | 172.8° |
| C12 | C13 | C14 | H15 | 60.0° | 67.2° |
| C28 | O42 | C41 | C25 | 60.4° | 52.5° |
| O42 | C28 | C27 | H34 | 132.8° | 177.1° |
| C28 | O42 | C41 | H39 | 179.7° | 67.2° |
| C28 | O42 | C41 | H40 | 59.5° | 172.3° |
| C26 | C25 | C41 | H31 | 124.7° | 124.2° |
| C26 | C25 | C41 | O42 | 6.5° | 67.1° |
| C26 | C25 | C24 | H9 | 88.1° | 96.6° |
| C25 | C26 | H32 | H33 | 124.1° | 124.0° |
| C25 | C26 | C27 | H34 | 165.3° | 166.7° |
| C26 | C25 | C41 | H39 | 113.4° | 52.6° |
| C26 | C25 | C41 | H40 | 126.4° | 173.1° |
| C25 | C41 | O42 | H39 | 119.9° | 119.7° |
| C25 | C41 | O42 | H40 | 119.9° | 119.8° |
| C41 | C25 | C24 | H9 | 159.1° | 153.1° |
| C41 | C25 | C26 | H32 | 50.5° | 168.7° |
| C41 | C25 | C26 | H33 | 173.4° | 44.9° |
| C25 | C41 | H39 | H40 | 120.3° | 120.6° |
| C14 | C13 | C15 | H4 | 119.3° | 120.0° |
| C14 | C13 | C15 | H5 | 58.2° | 60.0° |
| C14 | C13 | C15 | H6 | 61.8° | 180.0° |
| C14 | C13 | C15 | H7 | 178.2° | 60.0° |
| C14 | C13 | C12 | H11 | 58.4° | 176.9° |
| C14 | C13 | C12 | H12 | 177.7° | 56.9° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C15 | H5 | H6 | 120.0° | 120.0° |
| C13 | C15 | H5 | H7 | 120.0° | 120.1° |
| C13 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C13 | C12 | H11 | 62.0° | 56.9° |
| C15 | C13 | C12 | H12 | 57.4° | 63.1° |
| C15 | C13 | C14 | H13 | 60.0° | 67.2° |
| C15 | C13 | C14 | H14 | 180.0° | 52.8° |
| C15 | C13 | C14 | H15 | 60.0° | 172.8° |
| O42 | C41 | C25 | H31 | 131.3° | 168.7° |
| C41 | O42 | C28 | H35 | 177.3° | 86.7° |
| O42 | C41 | H39 | H40 | 120.2° | 120.5° |
| H1 | C4 | C3 | H18 | 6.6° | 0.1° |
| H2 | C6 | C7 | H3 | 0.0° | 0.2° |
| H4 | C13 | C15 | H5 | 61.1° | 179.9° |
| H4 | C13 | C15 | H6 | 178.9° | 60.0° |
| H4 | C13 | C15 | H7 | 58.9° | 60.0° |
| H4 | C13 | C12 | H11 | 179.2° | 63.1° |
| H4 | C13 | C12 | H12 | 61.5° | 176.9° |
| H4 | C13 | C14 | H13 | 59.2° | 172.7° |
| H4 | C13 | C14 | H14 | 60.8° | 67.3° |
| H4 | C13 | C14 | H15 | 179.2° | 52.8° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C17 | C19 | H10 | 70.8° | 65.0° |
| H8 | C17 | C16 | H16 | 66.3° | 65.1° |
| H8 | C17 | C16 | H17 | 174.3° | 174.9° |
| H8 | C17 | O18 | H22 | 63.1° | 180.0° |
| H9 | C24 | C25 | H31 | 34.3° | 27.5° |
| H9 | C24 | C31 | H38 | 9.2° | 1.0° |
| H10 | C19 | N20 | H23 | 173.4° | 145.0° |
| H10 | C19 | C32 | H24 | 61.9° | 175.0° |
| H10 | C19 | C32 | H25 | 177.8° | 65.0° |
| H13 | C14 | H14 | H15 | 119.9° | 120.0° |
| H19 | C40 | H20 | H21 | 120.0° | 120.0° |
| H26 | C33 | C34 | H27 | 3.0° | 0.2° |
| H27 | C34 | C35 | H28 | 1.5° | 0.2° |
| H28 | C35 | C36 | H29 | 0.3° | 0.1° |
| H29 | C36 | C37 | H30 | 0.6° | 0.0° |
| H31 | C25 | C26 | H32 | 74.1° | 45.1° |
| H31 | C25 | C26 | H33 | 48.7° | 78.8° |
| H31 | C25 | C41 | H39 | 11.3° | 71.6° |
| H31 | C25 | C41 | H40 | 108.8° | 48.9° |
| H32 | C26 | C27 | H34 | 76.2° | 48.6° |
| H33 | C26 | C27 | H34 | 46.7° | 75.2° |
| H34 | C27 | C28 | H35 | 15.6° | 47.9° |
| H34 | C27 | C31 | H38 | 23.5° | 28.7° |
| H36 | C30 | C31 | H38 | 95.1° | 2.2° |
| H37 | C30 | C31 | H38 | 24.9° | 119.2° |
