A8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C15 | O21 | doub | 1.22Å | 1.18Å | |
| C15 | C14 | sing | 1.41Å | 1.53Å | |
| C18 | O19 | doub | 1.21Å | 1.26Å | |
| C18 | O20 | sing | 1.34Å | 1.26Å | |
| C13 | C14 | doub | 1.35Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.45Å | 1.50Å | Aromatic |
| C14 | SE22 | sing | 1.98Å | 1.86Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | doub | 1.42Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C12 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| O09 | C10 | sing | 1.36Å | 1.41Å | |
| O09 | C08 | sing | 1.43Å | 1.40Å | |
| C10 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.39Å | |
| SE22 | C23 | sing | 1.97Å | 1.87Å | Aromatic |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C41 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C30 | SE31 | sing | 1.97Å | 1.88Å | Aromatic |
| C30 | C29 | doub | 1.41Å | 1.41Å | Aromatic |
| SE31 | C32 | sing | 1.98Å | 1.86Å | Aromatic |
| O26 | C27 | sing | 1.43Å | 1.40Å | |
| C04 | O05 | sing | 1.36Å | 1.40Å | |
| C04 | C28 | doub | 1.37Å | 1.38Å | Aromatic |
| C06 | O05 | sing | 1.43Å | 1.39Å | |
| C29 | C28 | sing | 1.42Å | 1.39Å | Aromatic |
| C29 | C40 | sing | 1.45Å | 1.50Å | Aromatic |
| O37 | C36 | doub | 1.21Å | 1.26Å | |
| C32 | C40 | doub | 1.35Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.41Å | 1.52Å | |
| O39 | C33 | doub | 1.21Å | 1.18Å | |
| O38 | C36 | sing | 1.34Å | 1.26Å | |
| C36 | C35 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.08Å | 1.08Å | |
| C41 | H26 | sing | 1.08Å | 1.08Å | |
| O20 | H27 | sing | 0.97Å | 0.95Å | |
| O38 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 110.5° | 109.5° |
| C16 | C17 | C18 | 110.8° | 109.5° |
| C16 | C17 | H2 | 109.1° | 109.5° |
| C16 | C17 | H3 | 109.1° | 109.5° |
| C17 | C16 | H16 | 109.2° | 109.5° |
| C17 | C16 | H17 | 109.2° | 109.5° |
| C16 | C15 | O21 | 119.8° | 119.9° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C15 | C16 | H16 | 109.2° | 109.4° |
| C15 | C16 | H17 | 109.2° | 109.5° |
| C17 | C18 | O19 | 120.4° | 120.0° |
| C17 | C18 | O20 | 119.4° | 120.0° |
| C18 | C17 | H2 | 109.2° | 109.5° |
| C18 | C17 | H3 | 109.1° | 109.5° |
| O21 | C15 | C14 | 120.3° | 120.0° |
| C15 | C14 | C13 | 127.7° | 128.7° |
| C15 | C14 | SE22 | 127.3° | 128.6° |
| O19 | C18 | O20 | 120.2° | 120.0° |
| C18 | O20 | H27 | 109.5° | 117.0° |
| C14 | C13 | C12 | 116.8° | 123.3° |
| C13 | C14 | SE22 | 105.0° | 102.7° |
| C14 | C13 | H1 | 121.6° | 118.3° |
| C13 | C12 | C11 | 123.2° | 126.4° |
| C13 | C12 | C23 | 117.0° | 117.8° |
| C12 | C13 | H1 | 121.6° | 118.4° |
| C14 | SE22 | C23 | 96.1° | 92.5° |
| C01 | O02 | C03 | 113.0° | 117.0° |
| O02 | C01 | H6 | 109.5° | 109.5° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| O02 | C01 | H8 | 109.5° | 109.4° |
| C12 | C11 | C10 | 121.2° | 121.1° |
| C11 | C12 | C23 | 119.8° | 115.9° |
| C12 | C11 | H15 | 119.4° | 119.5° |
| C11 | C10 | O09 | 114.8° | 119.4° |
| C11 | C10 | C25 | 118.8° | 121.1° |
| C10 | C11 | H15 | 119.4° | 119.4° |
| C12 | C23 | SE22 | 105.1° | 103.7° |
| C12 | C23 | C24 | 119.8° | 123.0° |
| C10 | O09 | C08 | 121.2° | 117.0° |
| O09 | C10 | C25 | 126.4° | 119.4° |
| O09 | C08 | C07 | 107.8° | 109.5° |
| O09 | C08 | H13 | 109.9° | 109.5° |
| O09 | C08 | H14 | 109.9° | 109.5° |
| C10 | C25 | C24 | 119.7° | 118.8° |
| C10 | C25 | O26 | 124.0° | 120.6° |
| O02 | C03 | C41 | 119.9° | 120.5° |
| O02 | C03 | C04 | 119.6° | 120.6° |
| SE22 | C23 | C24 | 135.0° | 133.2° |
| C08 | C07 | C06 | 111.2° | 109.4° |
| C08 | C07 | H11 | 109.0° | 109.5° |
| C08 | C07 | H12 | 109.1° | 109.5° |
| C07 | C08 | H13 | 109.8° | 109.5° |
| C07 | C08 | H14 | 109.9° | 109.5° |
| C23 | C24 | C25 | 120.7° | 120.0° |
| C23 | C24 | H4 | 119.6° | 120.0° |
| C03 | C41 | C30 | 119.6° | 120.0° |
| C41 | C03 | C04 | 120.5° | 118.8° |
| C03 | C41 | H26 | 120.2° | 120.0° |
| C41 | C30 | SE31 | 134.3° | 133.2° |
| C41 | C30 | C29 | 120.0° | 123.1° |
| C30 | C41 | H26 | 120.2° | 120.0° |
| C24 | C25 | O26 | 116.3° | 120.5° |
| C25 | C24 | H4 | 119.7° | 120.0° |
| C25 | O26 | C27 | 113.5° | 117.0° |
| C03 | C04 | O05 | 119.0° | 119.4° |
| C03 | C04 | C28 | 120.1° | 121.1° |
| C07 | C06 | O05 | 105.9° | 109.5° |
| C07 | C06 | H9 | 110.4° | 109.5° |
| C07 | C06 | H10 | 110.4° | 109.5° |
| C06 | C07 | H11 | 109.1° | 109.4° |
| C06 | C07 | H12 | 109.0° | 109.5° |
| SE31 | C30 | C29 | 105.8° | 103.8° |
| C30 | SE31 | C32 | 95.8° | 92.4° |
| C30 | C29 | C28 | 120.3° | 115.9° |
| C30 | C29 | C40 | 116.0° | 117.8° |
| SE31 | C32 | C40 | 105.0° | 102.7° |
| SE31 | C32 | C33 | 127.6° | 128.6° |
| O26 | C27 | H18 | 109.5° | 109.5° |
| O26 | C27 | H19 | 109.5° | 109.4° |
| O26 | C27 | H20 | 109.5° | 109.5° |
| O05 | C04 | C28 | 120.9° | 119.4° |
| C04 | O05 | C06 | 115.9° | 117.0° |
| C04 | C28 | C29 | 119.5° | 121.1° |
| C04 | C28 | H5 | 120.3° | 119.4° |
| O05 | C06 | H9 | 110.3° | 109.5° |
| O05 | C06 | H10 | 110.4° | 109.4° |
| C28 | C29 | C40 | 123.7° | 126.4° |
| C29 | C28 | H5 | 120.2° | 119.5° |
| C29 | C40 | C32 | 117.5° | 123.3° |
| C29 | C40 | H25 | 121.2° | 118.4° |
| O37 | C36 | O38 | 120.2° | 119.9° |
| O37 | C36 | C35 | 119.8° | 120.0° |
| C40 | C32 | C33 | 127.5° | 128.7° |
| C32 | C40 | H25 | 121.3° | 118.3° |
| C32 | C33 | O39 | 120.3° | 120.0° |
| C32 | C33 | C34 | 119.5° | 120.0° |
| O39 | C33 | C34 | 120.2° | 120.0° |
| O38 | C36 | C35 | 119.9° | 120.1° |
| C36 | O38 | H28 | 109.5° | 117.0° |
| C36 | C35 | C34 | 111.6° | 109.5° |
| C36 | C35 | H23 | 108.9° | 109.5° |
| C36 | C35 | H24 | 108.9° | 109.4° |
| C33 | C34 | C35 | 110.9° | 109.5° |
| C33 | C34 | H21 | 109.1° | 109.4° |
| C33 | C34 | H22 | 109.1° | 109.5° |
| C35 | C34 | H21 | 109.1° | 109.5° |
| C35 | C34 | H22 | 109.1° | 109.5° |
| C34 | C35 | H23 | 108.9° | 109.4° |
| C34 | C35 | H24 | 108.9° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.4° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.4° |
| H18 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.4° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.4° |
| H23 | C35 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H16 | 120.2° | 120.0° |
| C17 | C16 | C15 | H17 | 120.2° | 120.0° |
| C16 | C17 | C18 | H2 | 120.2° | 120.0° |
| C16 | C17 | C18 | H3 | 120.2° | 120.0° |
| C17 | C16 | C15 | O21 | 64.5° | 0.0° |
| C17 | C16 | C15 | C14 | 115.3° | 180.0° |
| C16 | C17 | C18 | O19 | 40.1° | 0.0° |
| C16 | C17 | C18 | O20 | 141.2° | 180.0° |
| C16 | C17 | H2 | H3 | 119.4° | 120.0° |
| C17 | C16 | H16 | H17 | 119.5° | 120.0° |
| C15 | C16 | C17 | C18 | 50.9° | 180.0° |
| C16 | C15 | O21 | C14 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 8.0° | 0.1° |
| C16 | C15 | C14 | SE22 | 171.7° | 179.9° |
| C15 | C16 | C17 | H2 | 171.1° | 60.0° |
| C15 | C16 | C17 | H3 | 69.3° | 60.0° |
| C15 | C16 | H16 | H17 | 119.6° | 120.0° |
| C17 | C18 | O19 | O20 | 178.7° | 179.9° |
| C18 | C17 | H2 | H3 | 119.4° | 120.0° |
| C18 | C17 | C16 | H16 | 171.1° | 60.0° |
| C18 | C17 | C16 | H17 | 69.3° | 60.0° |
| C17 | C18 | O20 | H27 | 178.7° | 180.0° |
| O21 | C15 | C14 | C13 | 171.8° | 179.9° |
| O21 | C15 | C14 | SE22 | 8.5° | 0.1° |
| O21 | C15 | C16 | H16 | 55.6° | 120.0° |
| O21 | C15 | C16 | H17 | 175.3° | 120.0° |
| C15 | C14 | C13 | SE22 | 179.7° | 179.9° |
| C15 | C14 | C13 | C12 | 179.9° | 180.0° |
| C15 | C14 | SE22 | C23 | 179.9° | 180.0° |
| C15 | C14 | C13 | H1 | 0.1° | 0.1° |
| C14 | C15 | C16 | H16 | 124.5° | 60.0° |
| C14 | C15 | C16 | H17 | 4.9° | 60.0° |
| O19 | C18 | C17 | H2 | 80.1° | 120.0° |
| O19 | C18 | C17 | H3 | 160.3° | 120.0° |
| O19 | C18 | O20 | H27 | 0.0° | 0.1° |
| O20 | C18 | C17 | H2 | 98.6° | 59.9° |
| O20 | C18 | C17 | H3 | 21.0° | 60.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 179.9° | 179.9° |
| C14 | C13 | C12 | C23 | 0.0° | 0.1° |
| C13 | C14 | SE22 | C23 | 0.1° | 0.1° |
| C12 | C13 | C14 | SE22 | 0.1° | 0.1° |
| C13 | C12 | C11 | C23 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 179.8° | 179.9° |
| C13 | C12 | C23 | SE22 | 0.1° | 0.0° |
| C13 | C12 | C23 | C24 | 179.9° | 180.0° |
| C13 | C12 | C11 | H15 | 0.2° | 0.0° |
| C14 | SE22 | C23 | C12 | 0.1° | 0.0° |
| C14 | SE22 | C23 | C24 | 179.9° | 180.0° |
| SE22 | C14 | C13 | H1 | 179.8° | 180.0° |
| C01 | O02 | C03 | C41 | 11.6° | 0.0° |
| C01 | O02 | C03 | C04 | 168.1° | 180.0° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| O02 | C01 | H6 | H8 | 120.0° | 120.0° |
| O02 | C01 | H7 | H8 | 120.0° | 119.9° |
| C12 | C11 | C10 | H15 | 180.0° | 179.9° |
| C12 | C11 | C10 | O09 | 179.9° | 179.8° |
| C12 | C11 | C10 | C25 | 0.2° | 0.1° |
| C11 | C12 | C23 | SE22 | 180.0° | 180.0° |
| C11 | C12 | C23 | C24 | 0.0° | 0.0° |
| C11 | C12 | C13 | H1 | 0.1° | 0.0° |
| C10 | C11 | C12 | C23 | 0.1° | 0.1° |
| C11 | C10 | O09 | C25 | 179.6° | 179.7° |
| C11 | C10 | O09 | C08 | 173.0° | 0.3° |
| C11 | C10 | C25 | C24 | 0.3° | 0.1° |
| C11 | C10 | C25 | O26 | 179.8° | 180.0° |
| C12 | C23 | SE22 | C24 | 180.0° | 180.0° |
| C12 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C12 | C13 | H1 | 179.9° | 180.0° |
| C12 | C23 | C24 | H4 | 179.9° | 179.9° |
| C23 | C12 | C11 | H15 | 179.9° | 180.0° |
| C10 | O09 | C08 | C07 | 101.2° | 180.0° |
| O09 | C10 | C25 | C24 | 179.9° | 179.7° |
| O09 | C10 | C25 | O26 | 0.2° | 0.3° |
| C10 | O09 | C08 | H13 | 18.6° | 60.0° |
| C10 | O09 | C08 | H14 | 139.1° | 60.0° |
| O09 | C10 | C11 | H15 | 0.1° | 0.3° |
| C08 | O09 | C10 | C25 | 7.3° | 180.0° |
| O09 | C08 | C07 | H13 | 119.8° | 120.0° |
| O09 | C08 | C07 | H14 | 119.7° | 120.0° |
| O09 | C08 | C07 | C06 | 87.1° | 180.0° |
| O09 | C08 | C07 | H11 | 152.6° | 60.0° |
| O09 | C08 | C07 | H12 | 33.2° | 60.0° |
| O09 | C08 | H13 | H14 | 120.8° | 120.0° |
| C10 | C25 | C24 | C23 | 0.3° | 0.0° |
| C10 | C25 | C24 | O26 | 179.9° | 180.0° |
| C10 | C25 | O26 | C27 | 163.9° | 180.0° |
| C10 | C25 | C24 | H4 | 179.7° | 179.9° |
| C25 | C10 | C11 | H15 | 179.8° | 180.0° |
| O02 | C03 | C41 | C04 | 179.7° | 180.0° |
| O02 | C03 | C41 | C30 | 180.0° | 179.8° |
| O02 | C03 | C04 | O05 | 1.0° | 0.0° |
| O02 | C03 | C04 | C28 | 179.8° | 179.9° |
| C03 | O02 | C01 | H6 | 180.0° | 60.0° |
| C03 | O02 | C01 | H7 | 60.0° | 179.9° |
| C03 | O02 | C01 | H8 | 60.0° | 60.0° |
| O02 | C03 | C41 | H26 | 0.0° | 0.0° |
| SE22 | C23 | C24 | C25 | 179.9° | 180.0° |
| SE22 | C23 | C24 | H4 | 0.1° | 0.1° |
| C08 | C07 | C06 | H11 | 120.3° | 119.9° |
| C08 | C07 | C06 | H12 | 120.3° | 120.0° |
| C08 | C07 | C06 | O05 | 125.7° | 180.0° |
| C08 | C07 | C06 | H9 | 6.3° | 60.0° |
| C08 | C07 | C06 | H10 | 114.8° | 60.1° |
| C08 | C07 | H11 | H12 | 119.2° | 120.0° |
| C07 | C08 | H13 | H14 | 120.7° | 120.0° |
| C23 | C24 | C25 | H4 | 180.0° | 179.9° |
| C23 | C24 | C25 | O26 | 179.9° | 180.0° |
| C03 | C41 | C30 | H26 | 180.0° | 179.8° |
| C03 | C41 | C30 | SE31 | 180.0° | 179.7° |
| C03 | C41 | C30 | C29 | 0.0° | 0.2° |
| C41 | C03 | C04 | O05 | 179.3° | 180.0° |
| C41 | C03 | C04 | C28 | 0.5° | 0.1° |
| C30 | C41 | C03 | C04 | 0.3° | 0.2° |
| C41 | C30 | SE31 | C29 | 180.0° | 180.0° |
| C41 | C30 | SE31 | C32 | 179.9° | 180.0° |
| C41 | C30 | C29 | C28 | 0.1° | 0.0° |
| C41 | C30 | C29 | C40 | 180.0° | 180.0° |
| C24 | C25 | O26 | C27 | 15.9° | 0.0° |
| O26 | C25 | C24 | H4 | 0.2° | 0.0° |
| C25 | O26 | C27 | H18 | 180.0° | 180.0° |
| C25 | O26 | C27 | H19 | 60.0° | 60.1° |
| C25 | O26 | C27 | H20 | 60.0° | 59.9° |
| C03 | C04 | O05 | C28 | 178.8° | 179.9° |
| C03 | C04 | O05 | C06 | 118.2° | 180.0° |
| C03 | C04 | C28 | C29 | 0.4° | 0.3° |
| C03 | C04 | C28 | H5 | 179.6° | 180.0° |
| C04 | C03 | C41 | H26 | 179.6° | 180.0° |
| C07 | C06 | O05 | C04 | 106.5° | 180.0° |
| C07 | C06 | O05 | H9 | 119.4° | 120.0° |
| C07 | C06 | O05 | H10 | 119.4° | 120.0° |
| C07 | C06 | H9 | H10 | 121.6° | 120.1° |
| C06 | C07 | H11 | H12 | 119.2° | 120.1° |
| C06 | C07 | C08 | H13 | 32.6° | 60.1° |
| C06 | C07 | C08 | H14 | 153.1° | 60.0° |
| SE31 | C30 | C29 | C28 | 179.9° | 180.0° |
| SE31 | C30 | C29 | C40 | 0.0° | 0.0° |
| C30 | SE31 | C32 | C40 | 0.1° | 0.0° |
| C30 | SE31 | C32 | C33 | 179.9° | 180.0° |
| SE31 | C30 | C41 | H26 | 0.1° | 0.0° |
| C29 | C30 | SE31 | C32 | 0.0° | 0.0° |
| C30 | C29 | C28 | C04 | 0.1° | 0.3° |
| C30 | C29 | C28 | C40 | 179.9° | 180.0° |
| C30 | C29 | C40 | C32 | 0.1° | 0.0° |
| C30 | C29 | C28 | H5 | 179.9° | 180.0° |
| C30 | C29 | C40 | H25 | 179.9° | 180.0° |
| C29 | C30 | C41 | H26 | 179.9° | 180.0° |
| SE31 | C32 | C40 | C29 | 0.1° | 0.0° |
| SE31 | C32 | C40 | C33 | 179.8° | 180.0° |
| SE31 | C32 | C33 | O39 | 3.8° | 0.0° |
| SE31 | C32 | C33 | C34 | 176.3° | 180.0° |
| SE31 | C32 | C40 | H25 | 179.9° | 180.0° |
| O26 | C27 | H18 | H19 | 120.0° | 119.9° |
| O26 | C27 | H18 | H20 | 120.0° | 120.0° |
| O26 | C27 | H19 | H20 | 120.0° | 120.0° |
| O05 | C04 | C28 | C29 | 179.2° | 179.7° |
| O05 | C04 | C28 | H5 | 0.8° | 0.1° |
| C04 | O05 | C06 | H9 | 12.9° | 60.0° |
| C04 | O05 | C06 | H10 | 134.1° | 60.0° |
| C28 | C04 | O05 | C06 | 63.0° | 0.1° |
| C04 | C28 | C29 | H5 | 180.0° | 179.6° |
| C04 | C28 | C29 | C40 | 179.8° | 179.7° |
| O05 | C06 | H9 | H10 | 121.7° | 119.9° |
| O05 | C06 | C07 | H11 | 114.0° | 60.1° |
| O05 | C06 | C07 | H12 | 5.4° | 60.0° |
| C28 | C29 | C40 | C32 | 179.9° | 180.0° |
| C28 | C29 | C40 | H25 | 0.1° | 0.0° |
| C29 | C40 | C32 | H25 | 180.0° | 180.0° |
| C29 | C40 | C32 | C33 | 179.9° | 180.0° |
| C40 | C29 | C28 | H5 | 0.2° | 0.0° |
| O37 | C36 | O38 | C35 | 179.8° | 180.0° |
| O37 | C36 | C35 | C34 | 138.1° | 0.0° |
| O37 | C36 | C35 | H23 | 17.8° | 120.0° |
| O37 | C36 | C35 | H24 | 101.6° | 120.0° |
| O37 | C36 | O38 | H28 | 0.0° | 0.0° |
| C40 | C32 | C33 | O39 | 176.5° | 180.0° |
| C40 | C32 | C33 | C34 | 3.5° | 0.0° |
| C32 | C33 | O39 | C34 | 179.9° | 180.0° |
| C32 | C33 | C34 | C35 | 118.8° | 180.0° |
| C32 | C33 | C34 | H21 | 1.4° | 60.0° |
| C32 | C33 | C34 | H22 | 121.0° | 60.0° |
| C33 | C32 | C40 | H25 | 0.1° | 0.0° |
| O39 | C33 | C34 | C35 | 61.1° | 0.0° |
| O39 | C33 | C34 | H21 | 178.7° | 120.1° |
| O39 | C33 | C34 | H22 | 59.1° | 120.0° |
| O38 | C36 | C35 | C34 | 42.1° | 180.0° |
| O38 | C36 | C35 | H23 | 162.4° | 60.0° |
| O38 | C36 | C35 | H24 | 78.2° | 60.0° |
| C36 | C35 | C34 | C33 | 47.8° | 180.0° |
| C36 | C35 | C34 | H23 | 120.3° | 120.0° |
| C36 | C35 | C34 | H24 | 120.3° | 120.0° |
| C36 | C35 | C34 | H21 | 72.4° | 60.0° |
| C36 | C35 | C34 | H22 | 168.0° | 60.0° |
| C36 | C35 | H23 | H24 | 119.0° | 120.0° |
| C35 | C36 | O38 | H28 | 179.8° | 180.0° |
| C33 | C34 | C35 | H21 | 120.2° | 120.0° |
| C33 | C34 | C35 | H22 | 120.2° | 120.0° |
| C33 | C34 | H21 | H22 | 119.4° | 120.0° |
| C33 | C34 | C35 | H23 | 72.5° | 60.0° |
| C33 | C34 | C35 | H24 | 168.1° | 60.0° |
| C35 | C34 | H21 | H22 | 119.4° | 120.0° |
| C34 | C35 | H23 | H24 | 119.0° | 120.0° |
| H2 | C17 | C16 | H16 | 68.7° | 180.0° |
| H2 | C17 | C16 | H17 | 50.9° | 60.0° |
| H3 | C17 | C16 | H16 | 50.9° | 60.0° |
| H3 | C17 | C16 | H17 | 170.5° | 180.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.1° |
| H9 | C06 | C07 | H11 | 126.6° | 60.0° |
| H9 | C06 | C07 | H12 | 114.0° | 180.0° |
| H10 | C06 | C07 | H11 | 5.4° | 180.0° |
| H10 | C06 | C07 | H12 | 124.9° | 59.9° |
| H11 | C07 | C08 | H13 | 87.6° | 180.0° |
| H11 | C07 | C08 | H14 | 32.8° | 60.0° |
| H12 | C07 | C08 | H13 | 152.9° | 60.0° |
| H12 | C07 | C08 | H14 | 86.6° | 180.0° |
| H18 | C27 | H19 | H20 | 120.0° | 120.1° |
| H21 | C34 | C35 | H23 | 167.3° | 180.0° |
| H21 | C34 | C35 | H24 | 47.9° | 60.0° |
| H22 | C34 | C35 | H23 | 47.7° | 60.1° |
| H22 | C34 | C35 | H24 | 71.7° | 180.0° |
