88Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.40Å | 1.47Å | Aromatic |
| C1 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C1 | O11 | sing | 1.36Å | 1.39Å | |
| C3 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| O13 | C2 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N7 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.49Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | O14 | sing | 1.36Å | 1.38Å | |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| O13 | C23 | sing | 1.43Å | 1.43Å | |
| C15 | O14 | sing | 1.36Å | 1.37Å | |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.47Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N22 | C18 | sing | 1.40Å | 1.35Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | F21 | sing | 1.35Å | 1.34Å | |
| N22 | C32 | sing | 1.35Å | 1.35Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N26 | C25 | sing | 1.47Å | 1.45Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | N26 | sing | 1.47Å | 1.47Å | |
| N26 | C31 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | O29 | sing | 1.43Å | 1.42Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | O36 | doub | 1.21Å | 1.21Å | |
| C34 | C33 | sing | 1.51Å | 1.55Å | |
| C33 | C45 | sing | 1.53Å | 1.54Å | |
| C33 | C46 | sing | 1.53Å | 1.54Å | |
| N35 | C34 | sing | 1.35Å | 1.35Å | |
| O37 | C34 | doub | 1.21Å | 1.24Å | |
| C38 | N35 | sing | 1.40Å | 1.37Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| C43 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C39 | C38 | sing | 1.39Å | 1.41Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C41 | C40 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| F44 | C41 | sing | 1.35Å | 1.35Å | |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.3° | 120.7° |
| C2 | C1 | O11 | 115.7° | 119.7° |
| C1 | C2 | C3 | 122.1° | 120.9° |
| C1 | C2 | O13 | 113.3° | 119.6° |
| C6 | C1 | O11 | 125.1° | 119.7° |
| C1 | C6 | C5 | 118.3° | 119.7° |
| C1 | C6 | H6 | 120.9° | 120.1° |
| C1 | O11 | C12 | 124.5° | 117.0° |
| C3 | C2 | O13 | 124.6° | 119.6° |
| C2 | C3 | C4 | 118.9° | 119.8° |
| C2 | C3 | H3 | 120.5° | 120.1° |
| C2 | O13 | C23 | 124.0° | 117.0° |
| C4 | C3 | H3 | 120.5° | 120.1° |
| C3 | C4 | N7 | 121.6° | 120.9° |
| C3 | C4 | C5 | 118.5° | 119.2° |
| N7 | C4 | C5 | 119.9° | 119.9° |
| C4 | N7 | C8 | 123.6° | 121.7° |
| C4 | C5 | C10 | 116.8° | 118.9° |
| C4 | C5 | C6 | 123.0° | 119.8° |
| C10 | C5 | C6 | 120.2° | 121.3° |
| C5 | C10 | C9 | 119.0° | 118.0° |
| C5 | C10 | O14 | 116.4° | 121.0° |
| C5 | C6 | H6 | 120.8° | 120.2° |
| N7 | C8 | C9 | 119.8° | 121.9° |
| N7 | C8 | H8 | 120.1° | 119.1° |
| C9 | C8 | H8 | 120.1° | 119.1° |
| C8 | C9 | C10 | 120.8° | 119.7° |
| C8 | C9 | H9 | 119.6° | 120.1° |
| C10 | C9 | H9 | 119.6° | 120.2° |
| C9 | C10 | O14 | 124.6° | 121.0° |
| C10 | O14 | C15 | 118.2° | 118.0° |
| O11 | C12 | H12 | 109.5° | 109.5° |
| O11 | C12 | H12A | 109.4° | 109.5° |
| O11 | C12 | H12B | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.4° |
| O13 | C23 | C24 | 106.1° | 109.5° |
| O13 | C23 | H23 | 110.6° | 109.5° |
| O13 | C23 | H23A | 110.6° | 109.5° |
| O14 | C15 | C16 | 124.1° | 120.0° |
| O14 | C15 | C20 | 116.3° | 120.0° |
| C16 | C15 | C20 | 119.5° | 120.0° |
| C15 | C16 | C17 | 119.2° | 120.1° |
| C15 | C16 | H16 | 120.4° | 120.0° |
| C15 | C20 | C19 | 119.8° | 120.0° |
| C15 | C20 | F21 | 115.8° | 120.0° |
| C17 | C16 | H16 | 120.4° | 120.0° |
| C16 | C17 | C18 | 122.0° | 120.0° |
| C16 | C17 | H17 | 119.0° | 120.0° |
| C18 | C17 | H17 | 119.0° | 120.0° |
| C17 | C18 | N22 | 117.5° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| N22 | C18 | C19 | 121.9° | 120.0° |
| C18 | N22 | C32 | 129.5° | 120.0° |
| C18 | N22 | HN22 | 115.2° | 120.0° |
| C18 | C19 | C20 | 118.8° | 119.9° |
| C18 | C19 | H19 | 120.6° | 120.0° |
| C20 | C19 | H19 | 120.6° | 120.0° |
| C19 | C20 | F21 | 124.4° | 120.0° |
| C32 | N22 | HN22 | 115.3° | 120.0° |
| N22 | C32 | C33 | 118.1° | 120.0° |
| N22 | C32 | O36 | 124.4° | 120.1° |
| C24 | C23 | H23 | 110.6° | 109.4° |
| C24 | C23 | H23A | 110.6° | 109.5° |
| C23 | C24 | C25 | 105.0° | 109.5° |
| C23 | C24 | H24 | 111.0° | 109.5° |
| C23 | C24 | H24A | 111.0° | 109.5° |
| H23 | C23 | H23A | 108.3° | 109.4° |
| C25 | C24 | H24 | 111.0° | 109.5° |
| C25 | C24 | H24A | 111.0° | 109.5° |
| C24 | C25 | N26 | 114.2° | 109.5° |
| C24 | C25 | H25 | 107.9° | 109.5° |
| C24 | C25 | H25A | 107.9° | 109.5° |
| H24 | C24 | H24A | 107.9° | 109.5° |
| N26 | C25 | H25 | 107.9° | 109.5° |
| N26 | C25 | H25A | 107.9° | 109.4° |
| C25 | N26 | C27 | 114.1° | 111.0° |
| C25 | N26 | C31 | 121.3° | 111.0° |
| H25 | C25 | H25A | 111.0° | 109.4° |
| C27 | N26 | C31 | 119.8° | 110.7° |
| N26 | C27 | C28 | 108.8° | 109.3° |
| N26 | C27 | H27 | 109.7° | 109.5° |
| N26 | C27 | H27A | 109.7° | 109.5° |
| N26 | C31 | C30 | 101.1° | 109.3° |
| N26 | C31 | H31 | 112.3° | 109.5° |
| N26 | C31 | H31A | 112.4° | 109.5° |
| C28 | C27 | H27 | 109.7° | 109.5° |
| C28 | C27 | H27A | 109.7° | 109.6° |
| C27 | C28 | O29 | 105.6° | 109.3° |
| C27 | C28 | H28 | 110.8° | 109.5° |
| C27 | C28 | H28A | 110.8° | 109.4° |
| H27 | C27 | H27A | 109.2° | 109.4° |
| O29 | C28 | H28 | 110.8° | 109.6° |
| O29 | C28 | H28A | 110.8° | 109.5° |
| C28 | O29 | C30 | 107.5° | 113.7° |
| H28 | C28 | H28A | 108.1° | 109.6° |
| O29 | C30 | C31 | 106.3° | 109.3° |
| O29 | C30 | H30 | 110.5° | 109.5° |
| O29 | C30 | H30A | 110.5° | 109.5° |
| C31 | C30 | H30 | 110.5° | 109.5° |
| C31 | C30 | H30A | 110.5° | 109.5° |
| C30 | C31 | H31 | 112.4° | 109.5° |
| C30 | C31 | H31A | 112.4° | 109.5° |
| H30 | C30 | H30A | 108.4° | 109.5° |
| H31 | C31 | H31A | 106.4° | 109.6° |
| C33 | C32 | O36 | 117.5° | 119.9° |
| C32 | C33 | C34 | 118.2° | 115.5° |
| C32 | C33 | C45 | 109.2° | 117.5° |
| C32 | C33 | C46 | 117.4° | 117.5° |
| C34 | C33 | C45 | 118.5° | 117.5° |
| C34 | C33 | C46 | 119.8° | 117.5° |
| C33 | C34 | N35 | 120.2° | 120.0° |
| C33 | C34 | O37 | 118.3° | 120.0° |
| C45 | C33 | C46 | 59.3° | 60.0° |
| C33 | C45 | C46 | 60.4° | 60.0° |
| C33 | C45 | H45 | 130.6° | 117.5° |
| C33 | C45 | H45A | 130.7° | 117.5° |
| C33 | C46 | C45 | 60.3° | 60.0° |
| C33 | C46 | H46 | 130.7° | 117.5° |
| C33 | C46 | H46A | 130.7° | 117.5° |
| N35 | C34 | O37 | 118.0° | 120.0° |
| C34 | N35 | C38 | 121.4° | 120.0° |
| C34 | N35 | HN35 | 119.3° | 120.0° |
| C38 | N35 | HN35 | 119.3° | 120.0° |
| N35 | C38 | C43 | 118.6° | 120.1° |
| N35 | C38 | C39 | 121.5° | 120.0° |
| C43 | C38 | C39 | 119.9° | 119.9° |
| C38 | C43 | C42 | 118.0° | 120.0° |
| C38 | C43 | H43 | 121.0° | 120.0° |
| C38 | C39 | C40 | 122.4° | 119.9° |
| C38 | C39 | H39 | 118.8° | 120.0° |
| C40 | C39 | H39 | 118.8° | 120.1° |
| C39 | C40 | C41 | 116.9° | 120.1° |
| C39 | C40 | H40 | 121.6° | 119.9° |
| C41 | C40 | H40 | 121.6° | 120.0° |
| C40 | C41 | F44 | 120.3° | 120.0° |
| C40 | C41 | C42 | 121.1° | 120.1° |
| F44 | C41 | C42 | 118.6° | 120.0° |
| C41 | C42 | C43 | 121.6° | 120.1° |
| C41 | C42 | H42 | 119.2° | 120.0° |
| C43 | C42 | H42 | 119.2° | 120.0° |
| C42 | C43 | H43 | 121.0° | 120.0° |
| C46 | C45 | H45 | 130.7° | 117.5° |
| C46 | C45 | H45A | 130.6° | 117.5° |
| C45 | C46 | H46 | 130.8° | 117.5° |
| C45 | C46 | H46A | 130.7° | 117.5° |
| H45 | C45 | H45A | 82.2° | 115.5° |
| H46 | C46 | H46A | 82.0° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O11 | 179.0° | 179.7° |
| C1 | C2 | C3 | O13 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.1° |
| C1 | C2 | C3 | H3 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.1° |
| C2 | C1 | C6 | H6 | 179.4° | 179.7° |
| C2 | C1 | O11 | C12 | 178.6° | 179.7° |
| C1 | C2 | O13 | C23 | 165.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | O13 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | C10 | 180.0° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C6 | C1 | O11 | C12 | 2.4° | 0.0° |
| O11 | C1 | C2 | C3 | 179.1° | 179.7° |
| O11 | C1 | C2 | O13 | 1.2° | 0.3° |
| O11 | C1 | C6 | C5 | 178.3° | 179.7° |
| O11 | C1 | C6 | H6 | 1.7° | 0.1° |
| C1 | O11 | C12 | H12 | 180.0° | 180.0° |
| C1 | O11 | C12 | H12A | 60.0° | 59.9° |
| C1 | O11 | C12 | H12B | 60.0° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N7 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C3 | C2 | O13 | C23 | 14.0° | 0.0° |
| O13 | C2 | C3 | C4 | 179.3° | 180.0° |
| O13 | C2 | C3 | H3 | 0.8° | 0.0° |
| C2 | O13 | C23 | C24 | 170.8° | 180.0° |
| C2 | O13 | C23 | H23 | 50.8° | 60.0° |
| C2 | O13 | C23 | H23A | 69.2° | 60.0° |
| C3 | C4 | N7 | C5 | 179.4° | 180.0° |
| C3 | C4 | C5 | C10 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | N7 | C8 | 179.0° | 179.9° |
| H3 | C3 | C4 | N7 | 0.8° | 0.0° |
| H3 | C3 | C4 | C5 | 178.6° | 180.0° |
| N7 | C4 | C5 | C10 | 0.4° | 0.0° |
| N7 | C4 | C5 | C6 | 179.8° | 179.9° |
| C4 | N7 | C8 | C9 | 3.9° | 0.0° |
| C4 | N7 | C8 | H8 | 176.1° | 180.0° |
| C4 | C5 | C10 | C6 | 179.7° | 179.9° |
| C4 | C5 | C6 | H6 | 179.7° | 179.7° |
| C5 | C4 | N7 | C8 | 1.5° | 0.0° |
| C4 | C5 | C10 | C9 | 0.0° | 0.0° |
| C4 | C5 | C10 | O14 | 178.2° | 180.0° |
| C10 | C5 | C6 | H6 | 0.1° | 0.4° |
| C5 | C10 | C9 | C8 | 2.3° | 0.1° |
| C5 | C10 | C9 | O14 | 178.1° | 180.0° |
| C5 | C10 | C9 | H9 | 177.6° | 180.0° |
| C5 | C10 | O14 | C15 | 156.8° | 175.1° |
| C6 | C5 | C10 | C9 | 179.7° | 179.9° |
| C6 | C5 | C10 | O14 | 2.0° | 0.1° |
| N7 | C8 | C9 | H8 | 180.0° | 180.0° |
| N7 | C8 | C9 | C10 | 4.3° | 0.0° |
| N7 | C8 | C9 | H9 | 175.7° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | O14 | 175.8° | 180.0° |
| H8 | C8 | C9 | C10 | 175.7° | 180.0° |
| H8 | C8 | C9 | H9 | 4.3° | 0.0° |
| C9 | C10 | O14 | C15 | 21.3° | 4.9° |
| H9 | C9 | C10 | O14 | 4.3° | 0.0° |
| C10 | O14 | C15 | C16 | 76.4° | 101.0° |
| C10 | O14 | C15 | C20 | 103.6° | 78.7° |
| O11 | C12 | H12 | H12A | 120.0° | 120.0° |
| O11 | C12 | H12 | H12B | 120.0° | 120.0° |
| O11 | C12 | H12A | H12B | 120.0° | 119.9° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| O13 | C23 | C24 | H23 | 120.0° | 120.0° |
| O13 | C23 | C24 | H23A | 120.0° | 120.0° |
| O13 | C23 | H23 | H23A | 121.4° | 120.0° |
| O13 | C23 | C24 | C25 | 88.0° | 180.0° |
| O13 | C23 | C24 | H24 | 32.0° | 60.0° |
| O13 | C23 | C24 | H24A | 152.0° | 60.0° |
| O14 | C15 | C16 | C20 | 179.9° | 179.7° |
| O14 | C15 | C16 | C17 | 179.7° | 180.0° |
| O14 | C15 | C16 | H16 | 0.2° | 0.0° |
| O14 | C15 | C20 | C19 | 179.8° | 179.7° |
| O14 | C15 | C20 | F21 | 0.6° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H17 | 179.4° | 180.0° |
| C16 | C15 | C20 | C19 | 0.3° | 0.6° |
| C16 | C15 | C20 | F21 | 179.4° | 179.8° |
| C20 | C15 | C16 | C17 | 0.2° | 0.3° |
| C20 | C15 | C16 | H16 | 179.8° | 179.6° |
| C15 | C20 | C19 | C18 | 1.5° | 0.5° |
| C15 | C20 | C19 | F21 | 179.6° | 179.7° |
| C15 | C20 | C19 | H19 | 178.5° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | N22 | 179.3° | 179.9° |
| C16 | C17 | C18 | C19 | 1.9° | 0.1° |
| H16 | C16 | C17 | C18 | 179.3° | 180.0° |
| H16 | C16 | C17 | H17 | 0.6° | 0.1° |
| C17 | C18 | N22 | C19 | 178.8° | 180.0° |
| C17 | C18 | C19 | C20 | 2.3° | 0.2° |
| C17 | C18 | C19 | H19 | 177.7° | 180.0° |
| C17 | C18 | N22 | C32 | 153.7° | 146.6° |
| C17 | C18 | N22 | HN22 | 26.3° | 33.4° |
| H17 | C17 | C18 | N22 | 0.7° | 0.0° |
| H17 | C17 | C18 | C19 | 178.1° | 180.0° |
| N22 | C18 | C19 | C20 | 178.9° | 179.8° |
| N22 | C18 | C19 | H19 | 1.0° | 0.0° |
| C18 | N22 | C32 | HN22 | 180.0° | 180.0° |
| C18 | N22 | C32 | C33 | 173.6° | 177.2° |
| C18 | N22 | C32 | O36 | 4.9° | 2.8° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | F21 | 178.1° | 179.8° |
| C19 | C18 | N22 | C32 | 25.1° | 33.5° |
| C19 | C18 | N22 | HN22 | 154.9° | 146.6° |
| H19 | C19 | C20 | F21 | 1.9° | 0.0° |
| N22 | C32 | C33 | O36 | 178.6° | 179.9° |
| N22 | C32 | C33 | C34 | 7.0° | 26.3° |
| N22 | C32 | C33 | C45 | 146.5° | 172.0° |
| N22 | C32 | C33 | C46 | 148.9° | 119.4° |
| HN22 | N22 | C32 | C33 | 6.4° | 2.8° |
| HN22 | N22 | C32 | O36 | 175.1° | 177.3° |
| C24 | C23 | H23 | H23A | 121.4° | 120.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 121.8° | 120.0° |
| C23 | C24 | C25 | N26 | 176.5° | 180.0° |
| C23 | C24 | C25 | H25 | 63.5° | 60.0° |
| C23 | C24 | C25 | H25A | 56.4° | 60.0° |
| H23 | C23 | C24 | C25 | 152.0° | 59.9° |
| H23 | C23 | C24 | H24 | 88.0° | 180.0° |
| H23 | C23 | C24 | H24A | 32.0° | 60.1° |
| H23A | C23 | C24 | C25 | 32.0° | 60.0° |
| H23A | C23 | C24 | H24 | 152.0° | 60.0° |
| H23A | C23 | C24 | H24A | 88.0° | 180.0° |
| C25 | C24 | H24 | H24A | 121.8° | 120.0° |
| C24 | C25 | N26 | H25 | 120.0° | 120.1° |
| C24 | C25 | N26 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 118.1° | 120.1° |
| C24 | C25 | N26 | C27 | 166.2° | 66.4° |
| C24 | C25 | N26 | C31 | 10.8° | 170.0° |
| H24 | C24 | C25 | N26 | 56.4° | 60.0° |
| H24 | C24 | C25 | H25 | 176.4° | 180.0° |
| H24 | C24 | C25 | H25A | 63.6° | 60.0° |
| H24A | C24 | C25 | N26 | 63.5° | 60.0° |
| H24A | C24 | C25 | H25 | 56.5° | 60.0° |
| H24A | C24 | C25 | H25A | 176.4° | 180.0° |
| N26 | C25 | H25 | H25A | 118.0° | 119.9° |
| C25 | N26 | C27 | C31 | 155.8° | 123.8° |
| C25 | N26 | C27 | C28 | 154.5° | 177.6° |
| C25 | N26 | C27 | H27 | 34.5° | 57.6° |
| C25 | N26 | C27 | H27A | 85.5° | 62.4° |
| C25 | N26 | C31 | C30 | 152.5° | 177.6° |
| C25 | N26 | C31 | H31 | 87.5° | 62.4° |
| C25 | N26 | C31 | H31A | 32.5° | 57.7° |
| H25 | C25 | N26 | C27 | 73.8° | 53.7° |
| H25 | C25 | N26 | C31 | 130.9° | 69.9° |
| H25A | C25 | N26 | C27 | 46.2° | 173.6° |
| H25A | C25 | N26 | C31 | 109.2° | 50.0° |
| N26 | C27 | C28 | H27 | 120.0° | 119.9° |
| N26 | C27 | C28 | H27A | 120.0° | 120.0° |
| N26 | C27 | H27 | H27A | 120.3° | 120.0° |
| N26 | C27 | C28 | O29 | 52.1° | 56.9° |
| N26 | C27 | C28 | H28 | 67.9° | 63.1° |
| N26 | C27 | C28 | H28A | 172.1° | 176.8° |
| C27 | N26 | C31 | C30 | 53.5° | 58.6° |
| C27 | N26 | C31 | H31 | 66.5° | 61.4° |
| C27 | N26 | C31 | H31A | 173.5° | 178.5° |
| C31 | N26 | C27 | C28 | 49.7° | 58.6° |
| C31 | N26 | C27 | H27 | 169.7° | 178.6° |
| C31 | N26 | C27 | H27A | 70.3° | 61.4° |
| N26 | C31 | C30 | O29 | 64.0° | 56.9° |
| N26 | C31 | C30 | H31 | 120.0° | 119.9° |
| N26 | C31 | C30 | H31A | 120.0° | 119.9° |
| N26 | C31 | C30 | H30 | 56.0° | 63.1° |
| N26 | C31 | C30 | H30A | 176.0° | 176.8° |
| N26 | C31 | H31 | H31A | 123.4° | 120.1° |
| C28 | C27 | H27 | H27A | 120.2° | 120.2° |
| C27 | C28 | O29 | H28 | 120.0° | 119.9° |
| C27 | C28 | O29 | H28A | 120.0° | 119.9° |
| C27 | C28 | H28 | H28A | 121.6° | 120.0° |
| C27 | C28 | O29 | C30 | 70.0° | 58.7° |
| H27 | C27 | C28 | O29 | 172.1° | 176.8° |
| H27 | C27 | C28 | H28 | 52.1° | 56.9° |
| H27 | C27 | C28 | H28A | 67.9° | 63.3° |
| H27A | C27 | C28 | O29 | 67.9° | 63.1° |
| H27A | C27 | C28 | H28 | 172.1° | 176.9° |
| H27A | C27 | C28 | H28A | 52.1° | 56.8° |
| O29 | C28 | H28 | H28A | 121.5° | 120.2° |
| C28 | O29 | C30 | C31 | 79.5° | 58.7° |
| C28 | O29 | C30 | H30 | 40.5° | 61.2° |
| C28 | O29 | C30 | H30A | 160.5° | 178.7° |
| H28 | C28 | O29 | C30 | 50.0° | 61.3° |
| H28A | C28 | O29 | C30 | 170.0° | 178.5° |
| O29 | C30 | C31 | H30 | 120.0° | 119.9° |
| O29 | C30 | C31 | H30A | 120.0° | 120.0° |
| O29 | C30 | H30 | H30A | 121.3° | 120.1° |
| O29 | C30 | C31 | H31 | 56.0° | 63.1° |
| O29 | C30 | C31 | H31A | 176.0° | 176.8° |
| C31 | C30 | H30 | H30A | 121.3° | 120.1° |
| C30 | C31 | H31 | H31A | 123.4° | 120.1° |
| H30 | C30 | C31 | H31 | 176.0° | 177.0° |
| H30 | C30 | C31 | H31A | 64.0° | 56.8° |
| H30A | C30 | C31 | H31 | 64.0° | 56.9° |
| H30A | C30 | C31 | H31A | 56.0° | 63.3° |
| C32 | C33 | C34 | C45 | 135.7° | 145.7° |
| C32 | C33 | C34 | C46 | 155.3° | 145.6° |
| C32 | C33 | C45 | C46 | 111.1° | 107.5° |
| C32 | C33 | C34 | N35 | 173.8° | 53.8° |
| C32 | C33 | C34 | O37 | 15.4° | 126.2° |
| C32 | C33 | C45 | H45 | 8.9° | 0.1° |
| C32 | C33 | C45 | H45A | 128.9° | 145.0° |
| C32 | C33 | C46 | H46 | 143.0° | 145.0° |
| C32 | C33 | C46 | H46A | 23.0° | 0.1° |
| O36 | C32 | C33 | C34 | 171.5° | 153.6° |
| O36 | C32 | C33 | C45 | 32.1° | 7.9° |
| O36 | C32 | C33 | C46 | 32.5° | 60.7° |
| C34 | C33 | C45 | C46 | 109.6° | 107.5° |
| C33 | C34 | N35 | O37 | 158.5° | 180.0° |
| C33 | C34 | N35 | C38 | 178.0° | 176.0° |
| C33 | C34 | N35 | HN35 | 2.0° | 4.0° |
| C34 | C33 | C45 | H45 | 130.4° | 144.9° |
| C34 | C33 | C45 | H45A | 10.4° | 0.0° |
| C34 | C33 | C46 | H46 | 12.6° | 0.1° |
| C34 | C33 | C46 | H46A | 132.6° | 145.0° |
| C45 | C33 | C34 | N35 | 50.5° | 160.5° |
| C45 | C33 | C34 | O37 | 151.0° | 19.5° |
| C33 | C45 | C46 | H45 | 120.0° | 107.5° |
| C33 | C45 | C46 | H45A | 120.0° | 107.4° |
| C33 | C45 | H45 | H45A | 138.5° | 145.6° |
| C45 | C33 | C46 | H46 | 120.0° | 107.5° |
| C45 | C33 | C46 | H46A | 120.0° | 107.4° |
| C46 | C33 | C34 | N35 | 18.5° | 91.8° |
| C46 | C33 | C34 | O37 | 140.0° | 88.2° |
| C33 | C46 | H46 | H46A | 138.5° | 145.8° |
| C34 | N35 | C38 | HN35 | 180.0° | 180.0° |
| C34 | N35 | C38 | C43 | 114.8° | 42.7° |
| C34 | N35 | C38 | C39 | 67.4° | 137.0° |
| O37 | C34 | N35 | C38 | 23.5° | 4.0° |
| O37 | C34 | N35 | HN35 | 156.5° | 176.0° |
| N35 | C38 | C43 | C39 | 177.8° | 179.7° |
| N35 | C38 | C39 | C40 | 179.3° | 180.0° |
| N35 | C38 | C39 | H39 | 0.7° | 0.1° |
| N35 | C38 | C43 | C42 | 179.1° | 179.8° |
| N35 | C38 | C43 | H43 | 0.9° | 0.3° |
| HN35 | N35 | C38 | C43 | 65.2° | 137.3° |
| HN35 | N35 | C38 | C39 | 112.6° | 43.0° |
| C43 | C38 | C39 | C40 | 3.0° | 0.3° |
| C43 | C38 | C39 | H39 | 177.0° | 179.8° |
| C38 | C43 | C42 | C41 | 2.6° | 0.5° |
| C38 | C43 | C42 | H43 | 180.0° | 179.5° |
| C38 | C43 | C42 | H42 | 177.4° | 179.7° |
| C38 | C39 | C40 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 2.1° | 0.0° |
| C38 | C39 | C40 | H40 | 177.9° | 180.0° |
| C39 | C38 | C43 | C42 | 3.1° | 0.5° |
| C39 | C38 | C43 | H43 | 176.9° | 180.0° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | F44 | 178.7° | 180.0° |
| C39 | C40 | C41 | C42 | 1.5° | 0.0° |
| H39 | C39 | C40 | C41 | 177.9° | 180.0° |
| H39 | C39 | C40 | H40 | 2.1° | 0.0° |
| C40 | C41 | F44 | C42 | 179.8° | 180.0° |
| C40 | C41 | C42 | C43 | 1.8° | 0.3° |
| C40 | C41 | C42 | H42 | 178.1° | 180.0° |
| H40 | C40 | C41 | F44 | 1.3° | 0.0° |
| H40 | C40 | C41 | C42 | 178.5° | 180.0° |
| F44 | C41 | C42 | C43 | 178.4° | 179.7° |
| F44 | C41 | C42 | H42 | 1.6° | 0.0° |
| C41 | C42 | C43 | H42 | 180.0° | 179.7° |
| C41 | C42 | C43 | H43 | 177.4° | 180.0° |
| H42 | C42 | C43 | H43 | 2.6° | 0.3° |
| C46 | C45 | H45 | H45A | 138.5° | 145.7° |
| C45 | C46 | H46 | H46A | 138.5° | 145.6° |
| H45 | C45 | C46 | H46 | 120.0° | 145.0° |
| H45 | C45 | C46 | H46A | 0.0° | 0.0° |
| H45A | C45 | C46 | H46 | 0.0° | 0.0° |
| H45A | C45 | C46 | H46A | 120.0° | 145.0° |
