KW3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C30 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C30 | O11 | sing | 1.34Å | 1.25Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| N1 | C29 | sing | 1.47Å | 1.49Å | |
| O1 | C3 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| O3 | C6 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | O2 | sing | 1.34Å | 1.33Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | O9 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C5 | sing | 1.45Å | 1.45Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | O6 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| O5 | C21 | sing | 1.36Å | 1.39Å | |
| O5 | C20 | sing | 1.36Å | 1.39Å | |
| C21 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O4 | sing | 1.36Å | 1.38Å | |
| O9 | P1 | sing | 1.61Å | 1.60Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| O6 | P1 | sing | 1.61Å | 1.61Å | |
| O4 | C15 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| P1 | O7 | doub | 1.48Å | 1.50Å | |
| P1 | O8 | sing | 1.61Å | 1.50Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| N1 | H34 | sing | 1.01Å | 1.00Å | |
| N1 | H35 | sing | 1.01Å | 1.00Å | |
| O11 | H37 | sing | 0.97Å | 0.95Å | |
| O8 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C30 | O11 | 125.2° | 120.0° |
| O10 | C30 | C29 | 117.3° | 120.0° |
| C1 | C2 | O1 | 112.7° | 109.5° |
| C1 | C2 | H10 | 108.6° | 109.4° |
| C1 | C2 | H11 | 108.6° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | O1 | C3 | 115.0° | 114.0° |
| O1 | C2 | H10 | 108.7° | 109.4° |
| O1 | C2 | H11 | 108.7° | 109.5° |
| O11 | C30 | C29 | 117.6° | 120.0° |
| C30 | O11 | H37 | 109.5° | 117.0° |
| C30 | C29 | N1 | 109.6° | 109.5° |
| C30 | C29 | C28 | 111.7° | 109.5° |
| C30 | C29 | H33 | 108.2° | 109.4° |
| N1 | C29 | C28 | 110.0° | 109.5° |
| N1 | C29 | H33 | 108.8° | 109.6° |
| C29 | N1 | H34 | 109.5° | 111.0° |
| C29 | N1 | H35 | 109.4° | 111.0° |
| O1 | C3 | C4 | 111.7° | 109.5° |
| O1 | C3 | H8 | 108.9° | 109.5° |
| O1 | C3 | H9 | 108.9° | 109.4° |
| C6 | C7 | C8 | 113.8° | 109.5° |
| C7 | C6 | O3 | 124.9° | 120.0° |
| C7 | C6 | O2 | 111.2° | 120.0° |
| C6 | C7 | H5 | 108.4° | 109.5° |
| C6 | C7 | H6 | 108.4° | 109.4° |
| C7 | C8 | C9 | 113.8° | 109.5° |
| C8 | C7 | H5 | 108.4° | 109.5° |
| C8 | C7 | H6 | 108.4° | 109.5° |
| C7 | C8 | H17 | 108.4° | 109.5° |
| C7 | C8 | H18 | 108.4° | 109.4° |
| C29 | C28 | O9 | 108.4° | 109.5° |
| C29 | C28 | H31 | 109.7° | 109.5° |
| C29 | C28 | H32 | 109.7° | 109.5° |
| C28 | C29 | H33 | 108.4° | 109.5° |
| O3 | C6 | O2 | 123.8° | 120.0° |
| C11 | C10 | C9 | 121.8° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.1° |
| C11 | C10 | H4 | 119.1° | 119.9° |
| C10 | C11 | H19 | 120.4° | 119.9° |
| C10 | C9 | C8 | 121.5° | 120.0° |
| C10 | C9 | C14 | 117.8° | 119.9° |
| C9 | C10 | H4 | 119.1° | 120.0° |
| C6 | O2 | C5 | 117.4° | 117.0° |
| C8 | C9 | C14 | 120.8° | 120.1° |
| C9 | C8 | H17 | 108.4° | 109.5° |
| C9 | C8 | H18 | 108.4° | 109.5° |
| C3 | C4 | O6 | 109.5° | 109.5° |
| C3 | C4 | C5 | 115.4° | 109.4° |
| C3 | C4 | H7 | 107.7° | 109.5° |
| C4 | C3 | H8 | 108.9° | 109.5° |
| C4 | C3 | H9 | 108.9° | 109.5° |
| C11 | C12 | C13 | 121.1° | 120.1° |
| C11 | C12 | H2 | 119.4° | 120.0° |
| C12 | C11 | H19 | 120.4° | 120.0° |
| C9 | C14 | C13 | 120.4° | 120.0° |
| C9 | C14 | O4 | 115.8° | 120.0° |
| C28 | O9 | P1 | 119.9° | 123.0° |
| O9 | C28 | H31 | 109.8° | 109.4° |
| O9 | C28 | H32 | 109.8° | 109.5° |
| C23 | C22 | C21 | 118.8° | 120.0° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C23 | C22 | H25 | 120.6° | 120.0° |
| C22 | C23 | H26 | 119.8° | 120.0° |
| C22 | C21 | O5 | 117.7° | 120.1° |
| C22 | C21 | C26 | 121.7° | 119.8° |
| C21 | C22 | H25 | 120.6° | 120.0° |
| C23 | C24 | C25 | 119.8° | 120.1° |
| C24 | C23 | H26 | 119.8° | 120.0° |
| C23 | C24 | H27 | 120.1° | 119.9° |
| O2 | C5 | C4 | 110.1° | 109.5° |
| O2 | C5 | H15 | 109.3° | 109.5° |
| O2 | C5 | H16 | 109.3° | 109.4° |
| C12 | C13 | C14 | 119.6° | 119.9° |
| C12 | C13 | H1 | 120.2° | 120.0° |
| C13 | C12 | H2 | 119.4° | 120.0° |
| O6 | C4 | C5 | 108.0° | 109.5° |
| C4 | O6 | P1 | 121.5° | 123.0° |
| O6 | C4 | H7 | 108.3° | 109.5° |
| C5 | C4 | H7 | 107.7° | 109.5° |
| C4 | C5 | H15 | 109.3° | 109.5° |
| C4 | C5 | H16 | 109.3° | 109.5° |
| C21 | O5 | C20 | 122.1° | 118.0° |
| O5 | C21 | C26 | 120.6° | 120.0° |
| O5 | C20 | C27 | 118.1° | 120.1° |
| O5 | C20 | C19 | 120.9° | 120.0° |
| C21 | C26 | C25 | 118.6° | 120.0° |
| C21 | C26 | H28 | 120.7° | 120.0° |
| C13 | C14 | O4 | 123.8° | 120.1° |
| C14 | C13 | H1 | 120.2° | 120.1° |
| C14 | O4 | C15 | 120.2° | 117.0° |
| O9 | P1 | O6 | 104.3° | 109.5° |
| O9 | P1 | O7 | 105.3° | 109.5° |
| O9 | P1 | O8 | 109.1° | 109.5° |
| C24 | C25 | C26 | 120.6° | 120.1° |
| C24 | C25 | H3 | 119.7° | 119.9° |
| C25 | C24 | H27 | 120.1° | 120.0° |
| O6 | P1 | O7 | 108.2° | 109.4° |
| O6 | P1 | O8 | 108.8° | 109.5° |
| O4 | C15 | C16 | 112.3° | 109.5° |
| O4 | C15 | H20 | 108.8° | 109.4° |
| O4 | C15 | H21 | 108.7° | 109.5° |
| C26 | C25 | H3 | 119.7° | 120.0° |
| C25 | C26 | H28 | 120.7° | 120.0° |
| C20 | C27 | C16 | 120.1° | 120.0° |
| C27 | C20 | C19 | 121.0° | 119.9° |
| C20 | C27 | H29 | 120.0° | 120.0° |
| C27 | C16 | C15 | 120.8° | 120.0° |
| C27 | C16 | C17 | 118.9° | 120.0° |
| C16 | C27 | H29 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.1° | 120.0° |
| C20 | C19 | H24 | 120.5° | 120.1° |
| O7 | P1 | O8 | 120.0° | 109.5° |
| P1 | O8 | H30 | 109.5° | 114.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C16 | C15 | H20 | 108.8° | 109.5° |
| C16 | C15 | H21 | 108.8° | 109.5° |
| C16 | C17 | C18 | 120.5° | 120.1° |
| C16 | C17 | H22 | 119.8° | 119.9° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C19 | C18 | H23 | 119.8° | 120.0° |
| C18 | C19 | H24 | 120.5° | 120.0° |
| C18 | C17 | H22 | 119.8° | 120.0° |
| C17 | C18 | H23 | 119.7° | 119.9° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H8 | C3 | H9 | 109.5° | 109.4° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.4° | 109.5° |
| H15 | C5 | H16 | 109.5° | 109.4° |
| H17 | C8 | H18 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.4° |
| H34 | N1 | H35 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C30 | O11 | C29 | 180.0° | 179.7° |
| O10 | C30 | C29 | N1 | 57.6° | 19.7° |
| O10 | C30 | C29 | C28 | 179.8° | 100.3° |
| O10 | C30 | C29 | H33 | 60.9° | 139.8° |
| O10 | C30 | O11 | H37 | 0.0° | 0.3° |
| C1 | C2 | O1 | H10 | 120.5° | 120.0° |
| C1 | C2 | O1 | H11 | 120.5° | 120.0° |
| C1 | C2 | O1 | C3 | 64.5° | 180.0° |
| C1 | C2 | H10 | H11 | 118.5° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | O1 | C3 | C4 | 176.6° | 180.0° |
| C2 | O1 | C3 | H8 | 56.3° | 60.0° |
| C2 | O1 | C3 | H9 | 63.0° | 60.0° |
| O1 | C2 | H10 | H11 | 118.5° | 120.0° |
| O1 | C2 | C1 | H12 | 180.0° | 60.1° |
| O1 | C2 | C1 | H13 | 60.0° | 180.0° |
| O1 | C2 | C1 | H14 | 60.0° | 60.0° |
| O11 | C30 | C29 | N1 | 122.4° | 160.0° |
| O11 | C30 | C29 | C28 | 0.2° | 80.0° |
| O11 | C30 | C29 | H33 | 119.1° | 39.9° |
| C30 | C29 | N1 | C28 | 123.2° | 120.0° |
| C30 | C29 | N1 | H33 | 118.1° | 120.0° |
| C30 | C29 | C28 | H33 | 119.1° | 119.9° |
| C30 | C29 | C28 | O9 | 173.2° | 175.0° |
| C30 | C29 | C28 | H31 | 67.0° | 55.0° |
| C30 | C29 | C28 | H32 | 53.3° | 65.0° |
| C30 | C29 | N1 | H34 | 180.0° | 63.9° |
| C30 | C29 | N1 | H35 | 60.0° | 60.0° |
| C29 | C30 | O11 | H37 | 180.0° | 180.0° |
| N1 | C29 | C28 | H33 | 118.9° | 120.1° |
| N1 | C29 | C28 | O9 | 64.9° | 65.0° |
| N1 | C29 | C28 | H31 | 55.0° | 175.0° |
| N1 | C29 | C28 | H32 | 175.3° | 55.0° |
| C29 | N1 | H34 | H35 | 120.0° | 124.0° |
| O1 | C3 | C4 | H8 | 120.3° | 120.0° |
| O1 | C3 | C4 | H9 | 120.3° | 120.0° |
| O1 | C3 | C4 | O6 | 56.6° | 65.0° |
| O1 | C3 | C4 | C5 | 65.5° | 55.0° |
| O1 | C3 | C4 | H7 | 174.2° | 175.0° |
| O1 | C3 | H8 | H9 | 119.0° | 119.9° |
| C3 | O1 | C2 | H10 | 56.0° | 60.0° |
| C3 | O1 | C2 | H11 | 175.0° | 60.0° |
| C6 | C7 | C8 | H5 | 120.6° | 120.0° |
| C6 | C7 | C8 | H6 | 120.6° | 120.0° |
| C7 | C6 | O3 | O2 | 178.7° | 180.0° |
| C6 | C7 | C8 | C9 | 57.6° | 180.0° |
| C7 | C6 | O2 | C5 | 173.0° | 180.0° |
| C6 | C7 | H5 | H6 | 118.0° | 119.9° |
| C6 | C7 | C8 | H17 | 63.0° | 60.0° |
| C6 | C7 | C8 | H18 | 178.3° | 60.0° |
| C8 | C7 | C6 | O3 | 110.5° | 0.0° |
| C7 | C8 | C9 | C10 | 30.4° | 95.0° |
| C8 | C7 | C6 | O2 | 68.4° | 180.0° |
| C7 | C8 | C9 | H17 | 120.7° | 120.0° |
| C7 | C8 | C9 | H18 | 120.6° | 119.9° |
| C7 | C8 | C9 | C14 | 149.5° | 84.8° |
| C8 | C7 | H5 | H6 | 118.0° | 120.0° |
| C7 | C8 | H17 | H18 | 118.0° | 120.0° |
| C29 | C28 | O9 | H31 | 119.8° | 120.0° |
| C29 | C28 | O9 | H32 | 119.8° | 120.0° |
| C29 | C28 | O9 | P1 | 89.8° | 180.0° |
| C29 | C28 | H31 | H32 | 120.5° | 120.0° |
| C28 | C29 | N1 | H34 | 56.8° | 176.1° |
| C28 | C29 | N1 | H35 | 176.8° | 60.0° |
| O3 | C6 | O2 | C5 | 5.9° | 0.0° |
| O3 | C6 | C7 | H5 | 128.9° | 120.1° |
| O3 | C6 | C7 | H6 | 10.2° | 120.0° |
| C11 | C10 | C9 | H4 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 180.0° | 180.0° |
| C10 | C11 | C12 | H19 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 0.1° | 0.3° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H2 | 179.5° | 180.0° |
| C10 | C9 | C8 | C14 | 179.9° | 179.7° |
| C9 | C10 | C11 | C12 | 0.0° | 0.3° |
| C10 | C9 | C14 | C13 | 0.7° | 0.0° |
| C10 | C9 | C14 | O4 | 179.6° | 180.0° |
| C10 | C9 | C8 | H17 | 151.1° | 145.0° |
| C10 | C9 | C8 | H18 | 90.2° | 25.0° |
| C9 | C10 | C11 | H19 | 180.0° | 179.7° |
| C6 | O2 | C5 | C4 | 104.1° | 180.0° |
| O2 | C6 | C7 | H5 | 52.3° | 60.0° |
| O2 | C6 | C7 | H6 | 171.0° | 60.0° |
| C6 | O2 | C5 | H15 | 135.8° | 60.0° |
| C6 | O2 | C5 | H16 | 16.0° | 60.0° |
| C8 | C9 | C14 | C13 | 179.4° | 179.8° |
| C8 | C9 | C14 | O4 | 0.5° | 0.2° |
| C8 | C9 | C10 | H4 | 0.1° | 0.2° |
| C9 | C8 | C7 | H5 | 178.3° | 60.0° |
| C9 | C8 | C7 | H6 | 63.0° | 60.0° |
| C9 | C8 | H17 | H18 | 118.0° | 120.0° |
| C3 | C4 | C5 | O2 | 61.1° | 55.0° |
| C3 | C4 | O6 | C5 | 126.4° | 119.9° |
| C3 | C4 | O6 | H7 | 117.3° | 120.0° |
| C3 | C4 | C5 | H7 | 120.3° | 120.0° |
| C3 | C4 | O6 | P1 | 103.7° | 120.0° |
| C4 | C3 | H8 | H9 | 119.0° | 120.0° |
| C3 | C4 | C5 | H15 | 178.8° | 65.1° |
| C3 | C4 | C5 | H16 | 59.0° | 175.0° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.1° | 0.3° |
| C11 | C12 | C13 | H1 | 178.8° | 180.0° |
| C12 | C11 | C10 | H4 | 179.9° | 180.0° |
| C9 | C14 | C13 | C12 | 1.2° | 0.3° |
| C9 | C14 | C13 | O4 | 178.8° | 180.0° |
| C9 | C14 | O4 | C15 | 168.9° | 180.0° |
| C9 | C14 | C13 | H1 | 178.7° | 180.0° |
| C14 | C9 | C10 | H4 | 180.0° | 180.0° |
| C14 | C9 | C8 | H17 | 28.8° | 35.2° |
| C14 | C9 | C8 | H18 | 89.9° | 155.3° |
| C28 | O9 | P1 | O6 | 75.6° | 175.0° |
| C28 | O9 | P1 | O7 | 38.3° | 55.1° |
| C28 | O9 | P1 | O8 | 168.3° | 65.0° |
| O9 | C28 | H31 | H32 | 120.5° | 120.0° |
| O9 | C28 | C29 | H33 | 54.1° | 55.1° |
| C23 | C22 | C21 | H25 | 180.0° | 179.8° |
| C22 | C23 | C24 | H26 | 180.0° | 179.8° |
| C23 | C22 | C21 | O5 | 179.4° | 179.8° |
| C23 | C22 | C21 | C26 | 0.7° | 0.2° |
| C22 | C23 | C24 | C25 | 1.3° | 0.0° |
| C22 | C23 | C24 | H27 | 178.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.2° |
| C22 | C21 | O5 | C26 | 178.7° | 180.0° |
| C22 | C21 | O5 | C20 | 124.4° | 90.1° |
| C22 | C21 | C26 | C25 | 1.7° | 0.1° |
| C21 | C22 | C23 | H26 | 179.1° | 180.0° |
| C22 | C21 | C26 | H28 | 178.3° | 180.0° |
| C23 | C24 | C25 | H27 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C23 | C24 | C25 | H3 | 179.8° | 180.0° |
| C24 | C23 | C22 | H25 | 179.1° | 180.0° |
| O2 | C5 | C4 | O6 | 61.8° | 65.0° |
| O2 | C5 | C4 | H15 | 120.1° | 120.1° |
| O2 | C5 | C4 | H16 | 120.1° | 120.0° |
| O2 | C5 | C4 | H7 | 178.6° | 175.0° |
| O2 | C5 | H15 | H16 | 119.7° | 120.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | O4 | 180.0° | 179.7° |
| C13 | C12 | C11 | H19 | 179.5° | 180.0° |
| O6 | C4 | C5 | H7 | 116.8° | 120.0° |
| C4 | O6 | P1 | O9 | 88.1° | 175.0° |
| C4 | O6 | P1 | O7 | 160.1° | 55.0° |
| C4 | O6 | P1 | O8 | 28.2° | 65.0° |
| O6 | C4 | C3 | H8 | 176.9° | 55.0° |
| O6 | C4 | C3 | H9 | 63.8° | 175.0° |
| O6 | C4 | C5 | H15 | 58.3° | 175.0° |
| O6 | C4 | C5 | H16 | 178.1° | 55.0° |
| C5 | C4 | O6 | P1 | 129.9° | 120.0° |
| C5 | C4 | C3 | H8 | 54.8° | 175.0° |
| C5 | C4 | C3 | H9 | 174.1° | 65.0° |
| C4 | C5 | H15 | H16 | 119.7° | 120.0° |
| O5 | C21 | C26 | C25 | 179.6° | 179.9° |
| C21 | O5 | C20 | C27 | 163.1° | 179.3° |
| C21 | O5 | C20 | C19 | 16.8° | 0.5° |
| O5 | C21 | C22 | H25 | 0.6° | 0.0° |
| O5 | C21 | C26 | H28 | 0.4° | 0.0° |
| C20 | O5 | C21 | C26 | 56.8° | 89.9° |
| O5 | C20 | C27 | C19 | 179.8° | 179.7° |
| O5 | C20 | C27 | C16 | 179.8° | 179.7° |
| O5 | C20 | C19 | C18 | 180.0° | 180.0° |
| O5 | C20 | C19 | H24 | 0.0° | 0.0° |
| O5 | C20 | C27 | H29 | 0.2° | 0.3° |
| C21 | C26 | C25 | C24 | 1.3° | 0.3° |
| C21 | C26 | C25 | H28 | 180.0° | 179.9° |
| C21 | C26 | C25 | H3 | 178.7° | 180.0° |
| C26 | C21 | C22 | H25 | 179.3° | 180.0° |
| C13 | C14 | O4 | C15 | 12.2° | 0.0° |
| C14 | C13 | C12 | H2 | 178.9° | 179.7° |
| C14 | O4 | C15 | C16 | 72.9° | 180.0° |
| O4 | C14 | C13 | H1 | 0.1° | 0.0° |
| C14 | O4 | C15 | H20 | 47.6° | 60.0° |
| C14 | O4 | C15 | H21 | 166.7° | 60.0° |
| O9 | P1 | O6 | O7 | 111.8° | 120.0° |
| O9 | P1 | O6 | O8 | 116.3° | 120.0° |
| O9 | P1 | O7 | O8 | 123.3° | 120.0° |
| P1 | O9 | C28 | H31 | 150.3° | 60.0° |
| P1 | O9 | C28 | H32 | 30.0° | 59.9° |
| O9 | P1 | O8 | H30 | 121.5° | 60.0° |
| C24 | C25 | C26 | H3 | 180.0° | 179.7° |
| C25 | C24 | C23 | H26 | 178.7° | 179.7° |
| C24 | C25 | C26 | H28 | 178.7° | 179.8° |
| O6 | P1 | O7 | O8 | 125.6° | 120.0° |
| P1 | O6 | C4 | H7 | 13.5° | 0.0° |
| O6 | P1 | O8 | H30 | 125.3° | 60.0° |
| O4 | C15 | C16 | C27 | 26.5° | 90.3° |
| O4 | C15 | C16 | H20 | 120.4° | 119.9° |
| O4 | C15 | C16 | H21 | 120.4° | 120.0° |
| O4 | C15 | C16 | C17 | 153.3° | 90.0° |
| O4 | C15 | H20 | H21 | 118.7° | 120.0° |
| C26 | C25 | C24 | H27 | 179.8° | 179.7° |
| C20 | C27 | C16 | H29 | 180.0° | 179.4° |
| C20 | C27 | C16 | C15 | 180.0° | 179.7° |
| C20 | C27 | C16 | C17 | 0.2° | 0.6° |
| C27 | C20 | C19 | C18 | 0.1° | 0.3° |
| C27 | C20 | C19 | H24 | 179.8° | 179.8° |
| C16 | C27 | C20 | C19 | 0.4° | 0.6° |
| C27 | C16 | C15 | C17 | 179.8° | 179.7° |
| C27 | C16 | C17 | C18 | 1.1° | 0.3° |
| C27 | C16 | C15 | H20 | 146.9° | 149.7° |
| C27 | C16 | C15 | H21 | 93.9° | 29.7° |
| C27 | C16 | C17 | H22 | 178.9° | 179.7° |
| C20 | C19 | C18 | H24 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.7° | 0.0° |
| C20 | C19 | C18 | H23 | 179.3° | 180.0° |
| C19 | C20 | C27 | H29 | 179.6° | 179.9° |
| O7 | P1 | O8 | H30 | 0.0° | 180.0° |
| C15 | C16 | C17 | C18 | 179.1° | 180.0° |
| C16 | C15 | H20 | H21 | 118.7° | 120.0° |
| C15 | C16 | C17 | H22 | 0.9° | 0.0° |
| C15 | C16 | C27 | H29 | 0.0° | 0.3° |
| C16 | C17 | C18 | C19 | 1.3° | 0.0° |
| C16 | C17 | C18 | H22 | 180.0° | 179.9° |
| C17 | C16 | C15 | H20 | 32.8° | 30.0° |
| C17 | C16 | C15 | H21 | 86.3° | 150.0° |
| C16 | C17 | C18 | H23 | 178.7° | 180.0° |
| C17 | C16 | C27 | H29 | 179.8° | 180.0° |
| C19 | C18 | C17 | H23 | 180.0° | 180.0° |
| C19 | C18 | C17 | H22 | 178.7° | 180.0° |
| C17 | C18 | C19 | H24 | 179.3° | 180.0° |
| H1 | C13 | C12 | H2 | 1.1° | 0.0° |
| H2 | C12 | C11 | H19 | 0.5° | 0.1° |
| H3 | C25 | C24 | H27 | 0.2° | 0.1° |
| H3 | C25 | C26 | H28 | 1.3° | 0.1° |
| H4 | C10 | C11 | H19 | 0.1° | 0.0° |
| H5 | C7 | C8 | H17 | 57.6° | 180.0° |
| H5 | C7 | C8 | H18 | 61.1° | 60.0° |
| H6 | C7 | C8 | H17 | 176.4° | 60.0° |
| H6 | C7 | C8 | H18 | 57.7° | 180.0° |
| H7 | C4 | C3 | H8 | 65.5° | 65.0° |
| H7 | C4 | C3 | H9 | 53.9° | 55.0° |
| H7 | C4 | C5 | H15 | 58.5° | 55.0° |
| H7 | C4 | C5 | H16 | 61.3° | 65.0° |
| H10 | C2 | C1 | H12 | 59.5° | 180.0° |
| H10 | C2 | C1 | H13 | 60.5° | 60.1° |
| H10 | C2 | C1 | H14 | 179.5° | 60.0° |
| H11 | C2 | C1 | H12 | 59.5° | 60.0° |
| H11 | C2 | C1 | H13 | 179.5° | 60.0° |
| H11 | C2 | C1 | H14 | 60.5° | 180.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H22 | C17 | C18 | H23 | 1.4° | 0.0° |
| H23 | C18 | C19 | H24 | 0.7° | 0.0° |
| H25 | C22 | C23 | H26 | 0.9° | 0.2° |
| H26 | C23 | C24 | H27 | 1.3° | 0.2° |
| H31 | C28 | C29 | H33 | 173.9° | 64.9° |
| H32 | C28 | C29 | H33 | 65.8° | 175.1° |
| H33 | C29 | N1 | H34 | 61.9° | 56.0° |
| H33 | C29 | N1 | H35 | 58.1° | 180.0° |
