JKR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | O7 | sing | 1.43Å | 1.46Å | |
| O9 | P2 | doub | 1.48Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| O7 | P2 | sing | 1.61Å | 1.61Å | |
| O8 | P2 | sing | 1.61Å | 1.50Å | |
| P2 | O10 | sing | 1.61Å | 1.61Å | |
| C10 | O6 | sing | 1.43Å | 1.44Å | |
| O6 | C9 | sing | 1.36Å | 1.35Å | |
| O10 | C13 | sing | 1.43Å | 1.46Å | |
| C9 | C32 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C35 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | doub | 1.36Å | 1.37Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| O11 | C15 | sing | 1.43Å | 1.44Å | |
| O11 | C16 | sing | 1.36Å | 1.35Å | |
| C4 | O5 | sing | 1.36Å | 1.35Å | |
| C28 | C21 | doub | 1.37Å | 1.37Å | Aromatic |
| C31 | C16 | doub | 1.41Å | 1.43Å | Aromatic |
| C31 | C20 | sing | 1.42Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.37Å | Aromatic |
| O5 | C3 | sing | 1.43Å | 1.44Å | |
| C21 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| C21 | O12 | sing | 1.36Å | 1.35Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O4 | sing | 1.43Å | 1.45Å | |
| C19 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| O4 | P1 | sing | 1.61Å | 1.62Å | |
| P1 | O2 | sing | 1.61Å | 1.52Å | |
| P1 | O1 | sing | 1.61Å | 1.52Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O8 | H18 | sing | 0.97Å | 0.95Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| O12 | H28 | sing | 0.97Å | 0.95Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | O7 | 109.5° | 109.5° |
| C12 | C11 | C10 | 113.6° | 109.5° |
| C12 | C11 | H14 | 108.4° | 109.5° |
| C12 | C11 | H15 | 108.4° | 109.4° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C12 | O7 | P2 | 120.0° | 123.0° |
| O7 | C12 | H16 | 109.5° | 109.5° |
| O7 | C12 | H17 | 109.5° | 109.4° |
| O9 | P2 | O7 | 108.8° | 109.5° |
| O9 | P2 | O8 | 119.6° | 109.5° |
| O9 | P2 | O10 | 108.3° | 109.5° |
| C11 | C10 | O6 | 110.3° | 109.5° |
| C11 | C10 | H12 | 109.3° | 109.5° |
| C11 | C10 | H13 | 109.2° | 109.4° |
| C10 | C11 | H14 | 108.4° | 109.5° |
| C10 | C11 | H15 | 108.4° | 109.4° |
| O7 | P2 | O8 | 106.9° | 109.5° |
| O7 | P2 | O10 | 103.4° | 109.5° |
| O8 | P2 | O10 | 108.8° | 109.5° |
| P2 | O8 | H18 | 109.5° | 114.0° |
| P2 | O10 | C13 | 119.5° | 123.0° |
| C10 | O6 | C9 | 118.4° | 117.0° |
| O6 | C10 | H12 | 109.3° | 109.5° |
| O6 | C10 | H13 | 109.3° | 109.5° |
| O6 | C9 | C32 | 125.0° | 120.2° |
| O6 | C9 | C8 | 114.2° | 120.2° |
| O10 | C13 | C14 | 109.7° | 109.5° |
| O10 | C13 | H19 | 109.4° | 109.5° |
| O10 | C13 | H20 | 109.4° | 109.4° |
| C32 | C9 | C8 | 120.7° | 119.5° |
| C9 | C32 | C33 | 120.0° | 120.9° |
| C9 | C32 | H32 | 120.0° | 119.5° |
| C9 | C8 | C7 | 122.2° | 121.2° |
| C9 | C8 | C35 | 118.5° | 119.3° |
| C8 | C7 | C6 | 120.3° | 119.8° |
| C7 | C8 | C35 | 119.3° | 119.5° |
| C8 | C7 | H11 | 119.8° | 120.1° |
| C7 | C6 | C5 | 121.2° | 121.0° |
| C7 | C6 | H2 | 119.4° | 119.5° |
| C6 | C7 | H11 | 119.9° | 120.1° |
| C13 | C14 | C15 | 113.6° | 109.5° |
| C14 | C13 | H19 | 109.4° | 109.5° |
| C14 | C13 | H20 | 109.4° | 109.5° |
| C13 | C14 | H21 | 108.4° | 109.5° |
| C13 | C14 | H22 | 108.4° | 109.4° |
| C32 | C33 | C34 | 121.3° | 121.0° |
| C33 | C32 | H32 | 120.0° | 119.5° |
| C32 | C33 | H33 | 119.4° | 119.5° |
| C8 | C35 | C34 | 119.3° | 119.4° |
| C8 | C35 | C4 | 118.3° | 119.3° |
| C6 | C5 | C4 | 119.9° | 120.9° |
| C6 | C5 | H1 | 120.1° | 119.5° |
| C5 | C6 | H2 | 119.4° | 119.5° |
| C14 | C15 | O11 | 110.1° | 109.5° |
| C15 | C14 | H21 | 108.4° | 109.5° |
| C15 | C14 | H22 | 108.4° | 109.5° |
| C14 | C15 | H23 | 109.3° | 109.5° |
| C14 | C15 | H24 | 109.3° | 109.5° |
| C33 | C34 | C35 | 120.2° | 119.8° |
| C34 | C33 | H33 | 119.3° | 119.5° |
| C33 | C34 | H34 | 119.9° | 120.1° |
| C34 | C35 | C4 | 122.4° | 121.3° |
| C35 | C34 | H34 | 119.9° | 120.1° |
| C35 | C4 | C5 | 120.9° | 119.6° |
| C35 | C4 | O5 | 114.4° | 120.2° |
| C5 | C4 | O5 | 124.7° | 120.3° |
| C4 | C5 | H1 | 120.0° | 119.5° |
| C30 | C29 | C28 | 121.3° | 121.1° |
| C29 | C30 | C31 | 120.3° | 119.8° |
| C30 | C29 | H30 | 119.3° | 119.5° |
| C29 | C30 | H31 | 119.8° | 120.1° |
| C29 | C28 | C21 | 119.9° | 120.9° |
| C29 | C28 | H29 | 120.0° | 119.6° |
| C28 | C29 | H30 | 119.4° | 119.4° |
| C30 | C31 | C16 | 122.2° | 121.3° |
| C30 | C31 | C20 | 119.3° | 119.4° |
| C31 | C30 | H31 | 119.9° | 120.1° |
| C15 | O11 | C16 | 119.1° | 117.0° |
| O11 | C15 | H23 | 109.3° | 109.5° |
| O11 | C15 | H24 | 109.3° | 109.5° |
| O11 | C16 | C31 | 114.0° | 120.2° |
| O11 | C16 | C17 | 125.2° | 120.2° |
| C4 | O5 | C3 | 118.3° | 117.0° |
| C28 | C21 | C20 | 121.0° | 119.5° |
| C28 | C21 | O12 | 124.4° | 120.2° |
| C21 | C28 | H29 | 120.1° | 119.5° |
| C16 | C31 | C20 | 118.5° | 119.3° |
| C31 | C16 | C17 | 120.8° | 119.6° |
| C31 | C20 | C21 | 118.3° | 119.3° |
| C31 | C20 | C19 | 119.2° | 119.5° |
| C16 | C17 | C18 | 120.0° | 120.9° |
| C16 | C17 | H25 | 120.0° | 119.5° |
| O5 | C3 | C2 | 110.1° | 109.5° |
| O5 | C3 | H5 | 109.3° | 109.5° |
| O5 | C3 | H6 | 109.3° | 109.5° |
| C20 | C21 | O12 | 114.6° | 120.2° |
| C21 | C20 | C19 | 122.5° | 121.2° |
| C21 | O12 | H28 | 109.5° | 114.0° |
| C3 | C2 | C1 | 113.0° | 109.5° |
| C3 | C2 | H3 | 108.6° | 109.5° |
| C3 | C2 | H4 | 108.6° | 109.5° |
| C2 | C3 | H5 | 109.3° | 109.5° |
| C2 | C3 | H6 | 109.3° | 109.5° |
| C20 | C19 | C18 | 120.2° | 119.7° |
| C20 | C19 | H27 | 119.9° | 120.1° |
| C17 | C18 | C19 | 121.3° | 121.0° |
| C18 | C17 | H25 | 120.0° | 119.6° |
| C17 | C18 | H26 | 119.4° | 119.5° |
| C2 | C1 | O4 | 109.0° | 109.5° |
| C1 | C2 | H3 | 108.6° | 109.4° |
| C1 | C2 | H4 | 108.6° | 109.5° |
| C2 | C1 | H9 | 109.6° | 109.5° |
| C2 | C1 | H10 | 109.6° | 109.4° |
| C1 | O4 | P1 | 118.4° | 123.0° |
| O4 | C1 | H9 | 109.6° | 109.5° |
| O4 | C1 | H10 | 109.6° | 109.5° |
| C19 | C18 | H26 | 119.4° | 119.5° |
| C18 | C19 | H27 | 119.9° | 120.1° |
| O4 | P1 | O2 | 106.8° | 102.0° |
| O4 | P1 | O1 | 108.9° | 102.0° |
| O2 | P1 | O1 | 114.8° | 102.0° |
| P1 | O2 | H8 | 109.5° | 114.1° |
| P1 | O1 | H7 | 109.5° | 114.0° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | O7 | H16 | 120.0° | 120.1° |
| C11 | C12 | O7 | H17 | 120.0° | 120.0° |
| C12 | C11 | C10 | H14 | 120.6° | 120.0° |
| C12 | C11 | C10 | H15 | 120.6° | 119.9° |
| C11 | C12 | O7 | P2 | 95.4° | 180.0° |
| C12 | C11 | C10 | O6 | 172.7° | 180.0° |
| C12 | C11 | C10 | H12 | 52.5° | 60.0° |
| C12 | C11 | C10 | H13 | 67.2° | 60.0° |
| C12 | C11 | H14 | H15 | 118.1° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C12 | O7 | P2 | O9 | 6.9° | 54.9° |
| O7 | C12 | C11 | C10 | 68.0° | 180.0° |
| C12 | O7 | P2 | O8 | 123.5° | 65.0° |
| C12 | O7 | P2 | O10 | 121.9° | 175.0° |
| O7 | C12 | C11 | H14 | 171.3° | 60.0° |
| O7 | C12 | C11 | H15 | 52.6° | 60.1° |
| O7 | C12 | H16 | H17 | 120.0° | 119.9° |
| O9 | P2 | O7 | O8 | 130.4° | 120.0° |
| O9 | P2 | O7 | O10 | 115.0° | 120.0° |
| O9 | P2 | O8 | O10 | 125.1° | 120.0° |
| O9 | P2 | O10 | C13 | 168.5° | 55.0° |
| O9 | P2 | O8 | H18 | 0.0° | 179.9° |
| C11 | C10 | O6 | H12 | 120.1° | 120.0° |
| C11 | C10 | O6 | H13 | 120.1° | 120.0° |
| C11 | C10 | O6 | C9 | 154.3° | 180.0° |
| C11 | C10 | H12 | H13 | 119.6° | 120.0° |
| C10 | C11 | H14 | H15 | 118.1° | 120.0° |
| C10 | C11 | C12 | H16 | 171.9° | 60.0° |
| C10 | C11 | C12 | H17 | 52.0° | 60.0° |
| O7 | P2 | O8 | O10 | 111.0° | 120.0° |
| O7 | P2 | O10 | C13 | 76.3° | 175.0° |
| P2 | O7 | C12 | H16 | 24.5° | 59.9° |
| P2 | O7 | C12 | H17 | 144.6° | 60.0° |
| O7 | P2 | O8 | H18 | 124.0° | 60.0° |
| O8 | P2 | O10 | C13 | 37.0° | 65.0° |
| P2 | O10 | C13 | C14 | 105.1° | 180.0° |
| O10 | P2 | O8 | H18 | 125.0° | 60.0° |
| P2 | O10 | C13 | H19 | 15.0° | 60.0° |
| P2 | O10 | C13 | H20 | 134.9° | 60.0° |
| C10 | O6 | C9 | C32 | 12.2° | 0.0° |
| C10 | O6 | C9 | C8 | 168.0° | 180.0° |
| O6 | C10 | H12 | H13 | 119.6° | 120.0° |
| O6 | C10 | C11 | H14 | 66.7° | 60.0° |
| O6 | C10 | C11 | H15 | 52.1° | 60.1° |
| O6 | C9 | C32 | C8 | 179.8° | 180.0° |
| O6 | C9 | C8 | C7 | 0.2° | 0.3° |
| O6 | C9 | C32 | C33 | 179.9° | 179.9° |
| O6 | C9 | C8 | C35 | 179.8° | 180.0° |
| C9 | O6 | C10 | H12 | 34.1° | 60.0° |
| C9 | O6 | C10 | H13 | 85.6° | 60.0° |
| O6 | C9 | C32 | H32 | 0.1° | 0.0° |
| O10 | C13 | C14 | H19 | 120.0° | 120.0° |
| O10 | C13 | C14 | H20 | 120.0° | 120.0° |
| O10 | C13 | C14 | C15 | 110.9° | 180.0° |
| O10 | C13 | H19 | H20 | 119.9° | 119.9° |
| O10 | C13 | C14 | H21 | 9.7° | 59.9° |
| O10 | C13 | C14 | H22 | 128.5° | 60.1° |
| C32 | C9 | C8 | C7 | 180.0° | 179.7° |
| C9 | C32 | C33 | H32 | 180.0° | 180.0° |
| C32 | C9 | C8 | C35 | 0.1° | 0.0° |
| C9 | C32 | C33 | C34 | 0.1° | 0.1° |
| C9 | C32 | C33 | H33 | 180.0° | 179.9° |
| C9 | C8 | C7 | C35 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 179.7° | 179.7° |
| C8 | C9 | C32 | C33 | 0.1° | 0.0° |
| C9 | C8 | C35 | C34 | 0.1° | 0.0° |
| C9 | C8 | C35 | C4 | 179.9° | 179.7° |
| C9 | C8 | C7 | H11 | 0.3° | 0.3° |
| C8 | C9 | C32 | H32 | 179.9° | 180.0° |
| C8 | C7 | C6 | H11 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C7 | C8 | C35 | C34 | 179.9° | 179.7° |
| C7 | C8 | C35 | C4 | 0.1° | 0.0° |
| C8 | C7 | C6 | H2 | 179.7° | 180.0° |
| C6 | C7 | C8 | C35 | 0.3° | 0.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 179.9° | 180.0° |
| C13 | C14 | C15 | H21 | 120.6° | 120.0° |
| C13 | C14 | C15 | H22 | 120.6° | 120.0° |
| C13 | C14 | C15 | O11 | 68.0° | 180.0° |
| C14 | C13 | H19 | H20 | 119.9° | 120.0° |
| C13 | C14 | H21 | H22 | 118.1° | 119.9° |
| C13 | C14 | C15 | H23 | 171.9° | 60.0° |
| C13 | C14 | C15 | H24 | 52.1° | 60.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.1° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| C8 | C35 | C34 | C33 | 0.1° | 0.1° |
| C8 | C35 | C34 | C4 | 180.0° | 179.7° |
| C8 | C35 | C4 | C5 | 0.1° | 0.0° |
| C8 | C35 | C4 | O5 | 179.6° | 180.0° |
| C35 | C8 | C7 | H11 | 179.7° | 180.0° |
| C8 | C35 | C34 | H34 | 179.9° | 180.0° |
| C6 | C5 | C4 | C35 | 0.1° | 0.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | O5 | 179.5° | 180.0° |
| C5 | C6 | C7 | H11 | 179.7° | 180.0° |
| C14 | C15 | O11 | H23 | 120.1° | 120.0° |
| C14 | C15 | O11 | H24 | 120.1° | 120.0° |
| C14 | C15 | O11 | C16 | 147.6° | 180.0° |
| C15 | C14 | C13 | H19 | 129.1° | 60.0° |
| C15 | C14 | C13 | H20 | 9.1° | 60.0° |
| C15 | C14 | H21 | H22 | 118.1° | 120.0° |
| C14 | C15 | H23 | H24 | 119.7° | 120.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C4 | 179.9° | 179.7° |
| C34 | C33 | C32 | H32 | 179.9° | 179.9° |
| C34 | C35 | C4 | C5 | 179.9° | 179.7° |
| C34 | C35 | C4 | O5 | 0.4° | 0.3° |
| C35 | C34 | C33 | H33 | 179.9° | 180.0° |
| C35 | C4 | C5 | O5 | 179.7° | 180.0° |
| C35 | C4 | O5 | C3 | 156.2° | 180.0° |
| C35 | C4 | C5 | H1 | 179.9° | 180.0° |
| C4 | C35 | C34 | H34 | 0.1° | 0.3° |
| C5 | C4 | O5 | C3 | 24.1° | 0.0° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| C30 | C29 | C28 | H30 | 180.0° | 179.7° |
| C29 | C30 | C31 | H31 | 180.0° | 179.8° |
| C30 | C29 | C28 | C21 | 0.1° | 0.1° |
| C29 | C30 | C31 | C16 | 180.0° | 179.7° |
| C29 | C30 | C31 | C20 | 0.1° | 0.5° |
| C30 | C29 | C28 | H29 | 179.9° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.3° |
| C29 | C28 | C21 | H29 | 180.0° | 179.9° |
| C29 | C28 | C21 | C20 | 0.0° | 0.1° |
| C29 | C28 | C21 | O12 | 179.9° | 180.0° |
| C28 | C29 | C30 | H31 | 179.9° | 179.9° |
| C30 | C31 | C16 | O11 | 0.1° | 0.5° |
| C30 | C31 | C16 | C20 | 179.9° | 179.2° |
| C30 | C31 | C16 | C17 | 179.9° | 179.8° |
| C30 | C31 | C20 | C21 | 0.1° | 0.6° |
| C30 | C31 | C20 | C19 | 179.9° | 179.8° |
| C31 | C30 | C29 | H30 | 179.9° | 180.0° |
| C15 | O11 | C16 | C31 | 171.2° | 179.7° |
| C15 | O11 | C16 | C17 | 9.0° | 0.0° |
| O11 | C15 | C14 | H21 | 52.6° | 60.0° |
| O11 | C15 | C14 | H22 | 171.4° | 60.0° |
| O11 | C15 | H23 | H24 | 119.7° | 120.0° |
| O11 | C16 | C31 | C17 | 179.8° | 179.7° |
| O11 | C16 | C31 | C20 | 179.9° | 179.7° |
| O11 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | O11 | C15 | H23 | 92.3° | 60.0° |
| C16 | O11 | C15 | H24 | 27.5° | 60.0° |
| O11 | C16 | C17 | H25 | 0.1° | 0.0° |
| C4 | O5 | C3 | C2 | 160.2° | 180.0° |
| O5 | C4 | C5 | H1 | 0.5° | 0.0° |
| C4 | O5 | C3 | H5 | 40.1° | 60.0° |
| C4 | O5 | C3 | H6 | 79.7° | 60.0° |
| C28 | C21 | C20 | C31 | 0.1° | 0.3° |
| C28 | C21 | C20 | O12 | 179.9° | 179.9° |
| C28 | C21 | C20 | C19 | 179.8° | 180.0° |
| C28 | C21 | O12 | H28 | 180.0° | 90.1° |
| C21 | C28 | C29 | H30 | 179.9° | 179.8° |
| C16 | C31 | C20 | C21 | 180.0° | 179.7° |
| C16 | C31 | C20 | C19 | 0.2° | 0.6° |
| C31 | C16 | C17 | C18 | 0.0° | 0.3° |
| C31 | C16 | C17 | H25 | 180.0° | 179.8° |
| C16 | C31 | C30 | H31 | 0.0° | 0.5° |
| C20 | C31 | C16 | C17 | 0.3° | 0.6° |
| C31 | C20 | C21 | C19 | 179.8° | 179.7° |
| C31 | C20 | C21 | O12 | 179.9° | 179.7° |
| C31 | C20 | C19 | C18 | 0.0° | 0.3° |
| C31 | C20 | C19 | H27 | 180.0° | 179.7° |
| C20 | C31 | C30 | H31 | 179.9° | 179.7° |
| C16 | C17 | C18 | H25 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H26 | 179.8° | 180.0° |
| O5 | C3 | C2 | H5 | 120.1° | 120.0° |
| O5 | C3 | C2 | H6 | 120.1° | 120.0° |
| O5 | C3 | C2 | C1 | 117.5° | 180.0° |
| O5 | C3 | C2 | H3 | 122.0° | 60.0° |
| O5 | C3 | C2 | H4 | 3.0° | 60.0° |
| O5 | C3 | H5 | H6 | 119.7° | 120.0° |
| C21 | C20 | C19 | C18 | 179.8° | 180.0° |
| C21 | C20 | C19 | H27 | 0.2° | 0.0° |
| C20 | C21 | O12 | H28 | 0.1° | 90.0° |
| C20 | C21 | C28 | H29 | 180.0° | 180.0° |
| O12 | C21 | C20 | C19 | 0.1° | 0.0° |
| O12 | C21 | C28 | H29 | 0.1° | 0.0° |
| C3 | C2 | C1 | H3 | 120.5° | 120.0° |
| C3 | C2 | C1 | H4 | 120.5° | 120.0° |
| C3 | C2 | C1 | O4 | 117.9° | 180.0° |
| C3 | C2 | H3 | H4 | 118.4° | 120.0° |
| C2 | C3 | H5 | H6 | 119.7° | 120.1° |
| C3 | C2 | C1 | H9 | 122.1° | 60.0° |
| C3 | C2 | C1 | H10 | 2.0° | 60.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H27 | 180.0° | 180.0° |
| C20 | C19 | C18 | H26 | 179.8° | 180.0° |
| C17 | C18 | C19 | H26 | 180.0° | 180.0° |
| C17 | C18 | C19 | H27 | 179.8° | 180.0° |
| C2 | C1 | O4 | H9 | 119.9° | 120.0° |
| C2 | C1 | O4 | H10 | 119.9° | 120.0° |
| C2 | C1 | O4 | P1 | 123.8° | 180.0° |
| C1 | C2 | H3 | H4 | 118.4° | 119.9° |
| C1 | C2 | C3 | H5 | 2.6° | 60.0° |
| C1 | C2 | C3 | H6 | 122.4° | 60.0° |
| C2 | C1 | H9 | H10 | 120.2° | 120.0° |
| C1 | O4 | P1 | O2 | 53.2° | 89.8° |
| C1 | O4 | P1 | O1 | 177.7° | 165.0° |
| O4 | C1 | C2 | H3 | 2.6° | 60.0° |
| O4 | C1 | C2 | H4 | 121.5° | 60.0° |
| O4 | C1 | H9 | H10 | 120.2° | 120.0° |
| C19 | C18 | C17 | H25 | 179.8° | 180.0° |
| O4 | P1 | O2 | O1 | 120.8° | 105.2° |
| O4 | P1 | O1 | H7 | 180.0° | 180.0° |
| O4 | P1 | O2 | H8 | 180.0° | 74.8° |
| P1 | O4 | C1 | H9 | 3.9° | 60.0° |
| P1 | O4 | C1 | H10 | 116.3° | 60.0° |
| O2 | P1 | O1 | H7 | 60.3° | 74.8° |
| O1 | P1 | O2 | H8 | 59.2° | 180.0° |
| H1 | C5 | C6 | H2 | 0.1° | 0.0° |
| H2 | C6 | C7 | H11 | 0.3° | 0.0° |
| H3 | C2 | C3 | H5 | 117.9° | 60.0° |
| H3 | C2 | C3 | H6 | 1.9° | 180.0° |
| H3 | C2 | C1 | H9 | 117.3° | 180.0° |
| H3 | C2 | C1 | H10 | 122.5° | 60.0° |
| H4 | C2 | C3 | H5 | 123.1° | 180.0° |
| H4 | C2 | C3 | H6 | 117.1° | 60.0° |
| H4 | C2 | C1 | H9 | 1.6° | 60.0° |
| H4 | C2 | C1 | H10 | 118.5° | 180.0° |
| H12 | C10 | C11 | H14 | 173.2° | 180.0° |
| H12 | C10 | C11 | H15 | 68.1° | 60.0° |
| H13 | C10 | C11 | H14 | 53.5° | 60.0° |
| H13 | C10 | C11 | H15 | 172.2° | 180.0° |
| H14 | C11 | C12 | H16 | 51.3° | 180.0° |
| H14 | C11 | C12 | H17 | 68.6° | 60.0° |
| H15 | C11 | C12 | H16 | 67.5° | 60.0° |
| H15 | C11 | C12 | H17 | 172.6° | 180.0° |
| H19 | C13 | C14 | H21 | 110.3° | 180.0° |
| H19 | C13 | C14 | H22 | 8.4° | 60.0° |
| H20 | C13 | C14 | H21 | 129.7° | 60.1° |
| H20 | C13 | C14 | H22 | 111.5° | 180.0° |
| H21 | C14 | C15 | H23 | 67.5° | 180.0° |
| H21 | C14 | C15 | H24 | 172.7° | 60.1° |
| H22 | C14 | C15 | H23 | 51.2° | 60.0° |
| H22 | C14 | C15 | H24 | 68.5° | 179.9° |
| H25 | C17 | C18 | H26 | 0.2° | 0.1° |
| H26 | C18 | C19 | H27 | 0.2° | 0.0° |
| H29 | C28 | C29 | H30 | 0.1° | 0.3° |
| H30 | C29 | C30 | H31 | 0.1° | 0.2° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
