4Q0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | O30 | sing | 1.43Å | 1.45Å | |
| O30 | C27 | sing | 1.36Å | 1.41Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| O28 | C23 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | doub | 1.41Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | N19 | sing | 1.35Å | 1.39Å | |
| C21 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.45Å | |
| N19 | C20 | sing | 1.35Å | 1.38Å | |
| N19 | C11 | sing | 1.47Å | 1.44Å | |
| C20 | O29 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C6 | sing | 1.51Å | 1.50Å | |
| N | C6 | doub | 1.30Å | 1.30Å | |
| N | C3 | sing | 1.36Å | 1.40Å | |
| C6 | N7 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C9 | sing | 1.40Å | 1.41Å | |
| N7 | C8 | sing | 1.35Å | 1.40Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.39Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C8 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.42Å | |
| C8 | O | doub | 1.22Å | 1.23Å | |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C33 | 107.2° | 109.5° |
| C32 | C31 | O30 | 108.8° | 109.5° |
| C32 | C31 | H19 | 108.8° | 109.5° |
| C31 | C32 | H20 | 109.5° | 109.4° |
| C31 | C32 | H21 | 109.4° | 109.4° |
| C31 | C32 | H22 | 109.5° | 109.5° |
| C33 | C31 | O30 | 113.6° | 109.5° |
| C33 | C31 | H19 | 108.7° | 109.5° |
| C31 | C33 | H23 | 109.5° | 109.5° |
| C31 | C33 | H24 | 109.5° | 109.5° |
| C31 | C33 | H25 | 109.5° | 109.5° |
| C31 | O30 | C27 | 113.7° | 117.0° |
| O30 | C31 | H19 | 109.6° | 109.5° |
| O30 | C27 | C26 | 124.7° | 120.3° |
| O30 | C27 | C22 | 118.9° | 120.2° |
| C26 | C27 | C22 | 116.3° | 119.5° |
| C27 | C26 | C25 | 121.7° | 120.4° |
| C27 | C26 | H18 | 119.2° | 119.7° |
| C27 | C22 | C23 | 129.3° | 134.3° |
| C27 | C22 | C21 | 121.9° | 119.8° |
| C26 | C25 | C24 | 121.3° | 120.6° |
| C26 | C25 | H17 | 119.4° | 119.7° |
| C25 | C26 | H18 | 119.1° | 119.9° |
| O28 | C23 | C22 | 125.6° | 125.7° |
| O28 | C23 | N19 | 131.0° | 125.7° |
| C23 | C22 | C21 | 108.8° | 105.9° |
| C22 | C23 | N19 | 103.4° | 108.6° |
| C22 | C21 | C24 | 122.1° | 119.8° |
| C22 | C21 | C20 | 109.8° | 105.9° |
| C25 | C24 | C21 | 116.6° | 119.9° |
| C25 | C24 | H16 | 121.7° | 120.1° |
| C24 | C25 | H17 | 119.3° | 119.7° |
| C23 | N19 | C20 | 114.7° | 111.1° |
| C23 | N19 | C11 | 122.5° | 124.4° |
| C24 | C21 | C20 | 128.0° | 134.3° |
| C21 | C24 | H16 | 121.7° | 120.1° |
| C21 | C20 | N19 | 103.2° | 108.5° |
| C21 | C20 | O29 | 124.8° | 125.8° |
| C20 | N19 | C11 | 122.7° | 124.4° |
| N19 | C20 | O29 | 131.8° | 125.8° |
| N19 | C11 | C10 | 113.9° | 109.5° |
| N19 | C11 | H5 | 108.3° | 109.5° |
| N19 | C11 | H6 | 108.3° | 109.4° |
| C11 | C10 | C6 | 104.3° | 109.5° |
| C11 | C10 | H3 | 110.7° | 109.4° |
| C11 | C10 | H4 | 110.7° | 109.5° |
| C10 | C11 | H5 | 108.3° | 109.5° |
| C10 | C11 | H6 | 108.3° | 109.5° |
| C10 | C6 | N | 116.8° | 118.3° |
| C10 | C6 | N7 | 119.0° | 118.3° |
| C6 | C10 | H3 | 110.8° | 109.5° |
| C6 | C10 | H4 | 110.8° | 109.5° |
| C6 | N | C3 | 118.6° | 121.6° |
| N | C6 | N7 | 124.1° | 123.3° |
| N | C3 | C2 | 118.8° | 121.6° |
| N | C3 | C4 | 122.0° | 119.1° |
| C6 | N7 | C9 | 122.4° | 119.7° |
| C6 | N7 | C8 | 121.3° | 120.6° |
| C3 | C2 | C1 | 119.8° | 119.7° |
| C2 | C3 | C4 | 119.1° | 119.3° |
| C3 | C2 | H1 | 120.1° | 120.1° |
| C2 | C1 | C | 120.9° | 120.8° |
| C1 | C2 | H1 | 120.1° | 120.2° |
| C2 | C1 | H14 | 119.6° | 119.6° |
| C3 | C4 | C8 | 119.1° | 118.0° |
| C3 | C4 | C5 | 121.1° | 120.1° |
| C15 | C16 | C9 | 119.3° | 120.0° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C16 | C15 | H9 | 120.0° | 120.0° |
| C15 | C16 | H15 | 120.3° | 119.9° |
| C16 | C9 | N7 | 119.8° | 120.0° |
| C16 | C9 | C12 | 120.8° | 120.0° |
| C9 | C16 | H15 | 120.4° | 120.1° |
| C9 | N7 | C8 | 115.3° | 119.7° |
| N7 | C9 | C12 | 119.3° | 120.0° |
| N7 | C8 | C4 | 114.9° | 117.4° |
| N7 | C8 | O | 125.7° | 121.3° |
| C15 | C14 | O17 | 116.5° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C14 | C15 | H9 | 120.0° | 120.0° |
| C1 | C | C5 | 119.6° | 120.6° |
| C1 | C | H13 | 120.2° | 119.6° |
| C | C1 | H14 | 119.5° | 119.6° |
| C9 | C12 | C13 | 119.9° | 120.0° |
| C9 | C12 | H7 | 120.1° | 120.0° |
| O17 | C14 | C13 | 123.0° | 120.0° |
| C14 | O17 | C18 | 110.8° | 117.0° |
| C14 | C13 | C12 | 119.5° | 120.0° |
| C14 | C13 | H8 | 120.3° | 120.0° |
| C13 | C12 | H7 | 120.1° | 120.0° |
| C12 | C13 | H8 | 120.3° | 120.0° |
| C8 | C4 | C5 | 119.9° | 121.9° |
| C4 | C8 | O | 119.4° | 121.3° |
| C4 | C5 | C | 119.5° | 119.5° |
| C4 | C5 | H2 | 120.2° | 120.2° |
| O17 | C18 | H10 | 109.5° | 109.5° |
| O17 | C18 | H11 | 109.4° | 109.5° |
| O17 | C18 | H12 | 109.5° | 109.5° |
| C | C5 | H2 | 120.3° | 120.3° |
| C5 | C | H13 | 120.2° | 119.8° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H10 | C18 | H12 | 109.4° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H20 | C32 | H21 | 109.5° | 109.5° |
| H20 | C32 | H22 | 109.5° | 109.4° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H25 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C33 | O30 | 120.2° | 120.0° |
| C32 | C31 | C33 | H19 | 117.4° | 120.0° |
| C32 | C31 | O30 | H19 | 118.8° | 120.0° |
| C32 | C31 | O30 | C27 | 149.4° | 84.0° |
| C31 | C32 | H20 | H21 | 120.0° | 119.9° |
| C31 | C32 | H20 | H22 | 120.0° | 120.0° |
| C31 | C32 | H21 | H22 | 120.0° | 120.1° |
| C32 | C31 | C33 | H23 | 180.0° | 179.9° |
| C32 | C31 | C33 | H24 | 60.0° | 60.0° |
| C32 | C31 | C33 | H25 | 60.0° | 60.0° |
| C33 | C31 | O30 | H19 | 121.9° | 120.0° |
| C33 | C31 | O30 | C27 | 91.3° | 156.0° |
| C33 | C31 | C32 | H20 | 180.0° | 60.0° |
| C33 | C31 | C32 | H21 | 60.0° | 180.0° |
| C33 | C31 | C32 | H22 | 60.0° | 59.9° |
| C31 | C33 | H23 | H24 | 120.0° | 120.0° |
| C31 | C33 | H23 | H25 | 120.0° | 120.0° |
| C31 | C33 | H24 | H25 | 120.0° | 120.0° |
| C31 | O30 | C27 | C26 | 10.7° | 2.7° |
| C31 | O30 | C27 | C22 | 170.5° | 177.4° |
| O30 | C31 | C32 | H20 | 56.7° | 180.0° |
| O30 | C31 | C32 | H21 | 63.3° | 60.1° |
| O30 | C31 | C32 | H22 | 176.8° | 60.0° |
| O30 | C31 | C33 | H23 | 59.8° | 60.0° |
| O30 | C31 | C33 | H24 | 179.8° | 180.0° |
| O30 | C31 | C33 | H25 | 60.2° | 60.0° |
| O30 | C27 | C26 | C22 | 178.8° | 179.9° |
| O30 | C27 | C26 | C25 | 178.1° | 180.0° |
| O30 | C27 | C22 | C23 | 2.6° | 0.3° |
| O30 | C27 | C22 | C21 | 178.8° | 180.0° |
| O30 | C27 | C26 | H18 | 1.9° | 0.0° |
| C27 | O30 | C31 | H19 | 30.6° | 36.1° |
| C27 | C26 | C25 | H18 | 180.0° | 179.9° |
| C26 | C27 | C22 | C23 | 178.6° | 179.8° |
| C26 | C27 | C22 | C21 | 0.1° | 0.1° |
| C27 | C26 | C25 | C24 | 0.3° | 0.1° |
| C27 | C26 | C25 | H17 | 179.7° | 179.9° |
| C22 | C27 | C26 | C25 | 0.7° | 0.1° |
| C27 | C22 | C23 | O28 | 1.5° | 0.3° |
| C27 | C22 | C23 | C21 | 178.8° | 179.7° |
| C27 | C22 | C23 | N19 | 179.2° | 180.0° |
| C27 | C22 | C21 | C24 | 0.9° | 0.0° |
| C27 | C22 | C21 | C20 | 179.5° | 180.0° |
| C22 | C27 | C26 | H18 | 179.3° | 180.0° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C26 | C25 | C24 | C21 | 0.6° | 0.0° |
| C26 | C25 | C24 | H16 | 179.4° | 179.9° |
| O28 | C23 | C22 | N19 | 177.7° | 179.6° |
| O28 | C23 | C22 | C21 | 177.2° | 180.0° |
| O28 | C23 | N19 | C20 | 178.6° | 180.0° |
| O28 | C23 | N19 | C11 | 1.9° | 0.3° |
| C23 | C22 | C21 | C24 | 179.8° | 179.8° |
| C23 | C22 | C21 | C20 | 1.6° | 0.2° |
| C22 | C23 | N19 | C20 | 1.1° | 0.3° |
| C22 | C23 | N19 | C11 | 179.4° | 179.9° |
| C22 | C21 | C24 | C25 | 1.2° | 0.0° |
| C21 | C22 | C23 | N19 | 0.4° | 0.3° |
| C22 | C21 | C24 | C20 | 178.3° | 180.0° |
| C22 | C21 | C20 | N19 | 2.2° | 0.0° |
| C22 | C21 | C20 | O29 | 174.2° | 180.0° |
| C22 | C21 | C24 | H16 | 178.8° | 180.0° |
| C25 | C24 | C21 | H16 | 180.0° | 179.9° |
| C25 | C24 | C21 | C20 | 179.5° | 180.0° |
| C24 | C25 | C26 | H18 | 179.7° | 180.0° |
| C23 | N19 | C20 | C21 | 2.0° | 0.2° |
| C23 | N19 | C20 | C11 | 179.6° | 179.8° |
| C23 | N19 | C20 | O29 | 174.0° | 179.8° |
| C23 | N19 | C11 | C10 | 76.9° | 90.2° |
| C23 | N19 | C11 | H5 | 43.8° | 149.7° |
| C23 | N19 | C11 | H6 | 162.5° | 29.8° |
| C24 | C21 | C20 | N19 | 179.3° | 180.0° |
| C24 | C21 | C20 | O29 | 4.3° | 0.0° |
| C21 | C24 | C25 | H17 | 179.4° | 180.0° |
| C21 | C20 | N19 | O29 | 176.0° | 180.0° |
| C21 | C20 | N19 | C11 | 178.4° | 180.0° |
| C20 | C21 | C24 | H16 | 0.5° | 0.1° |
| C20 | N19 | C11 | C10 | 102.6° | 90.0° |
| C20 | N19 | C11 | H5 | 136.7° | 30.0° |
| C20 | N19 | C11 | H6 | 18.0° | 150.0° |
| C11 | N19 | C20 | O29 | 5.6° | 0.0° |
| N19 | C11 | C10 | H5 | 120.6° | 120.0° |
| N19 | C11 | C10 | H6 | 120.6° | 120.0° |
| N19 | C11 | C10 | C6 | 167.5° | 180.0° |
| N19 | C11 | C10 | H3 | 48.3° | 60.0° |
| N19 | C11 | C10 | H4 | 73.3° | 60.0° |
| N19 | C11 | H5 | H6 | 118.0° | 120.0° |
| C11 | C10 | C6 | H3 | 119.2° | 120.0° |
| C11 | C10 | C6 | H4 | 119.2° | 120.0° |
| C11 | C10 | C6 | N | 72.8° | 1.4° |
| C11 | C10 | C6 | N7 | 105.5° | 178.6° |
| C11 | C10 | H3 | H4 | 122.4° | 120.0° |
| C10 | C11 | H5 | H6 | 118.0° | 120.0° |
| C10 | C6 | N | N7 | 178.2° | 180.0° |
| C10 | C6 | N | C3 | 179.1° | 180.0° |
| C10 | C6 | N7 | C9 | 13.5° | 0.0° |
| C10 | C6 | N7 | C8 | 178.2° | 180.0° |
| C6 | C10 | H3 | H4 | 122.4° | 120.0° |
| C6 | C10 | C11 | H5 | 71.9° | 60.0° |
| C6 | C10 | C11 | H6 | 46.8° | 60.0° |
| C6 | N | C3 | C2 | 179.7° | 180.0° |
| C6 | N | C3 | C4 | 1.0° | 0.0° |
| N | C6 | N7 | C9 | 168.4° | 180.0° |
| N | C6 | N7 | C8 | 0.1° | 0.0° |
| N | C6 | C10 | H3 | 168.0° | 118.6° |
| N | C6 | C10 | H4 | 46.4° | 121.4° |
| C3 | N | C6 | N7 | 0.9° | 0.0° |
| N | C3 | C2 | C4 | 179.4° | 179.9° |
| N | C3 | C2 | C1 | 179.3° | 180.0° |
| N | C3 | C4 | C8 | 0.3° | 0.1° |
| N | C3 | C4 | C5 | 179.9° | 180.0° |
| N | C3 | C2 | H1 | 0.7° | 0.2° |
| C6 | N7 | C9 | C16 | 89.1° | 109.3° |
| C6 | N7 | C9 | C8 | 168.9° | 180.0° |
| C6 | N7 | C9 | C12 | 93.2° | 70.5° |
| C6 | N7 | C8 | C4 | 0.6° | 0.0° |
| C6 | N7 | C8 | O | 180.0° | 180.0° |
| N7 | C6 | C10 | H3 | 13.7° | 61.4° |
| N7 | C6 | C10 | H4 | 135.4° | 58.6° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C | 0.7° | 0.0° |
| C2 | C3 | C4 | C8 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C1 | H14 | 179.3° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C | H14 | 180.0° | 180.0° |
| C2 | C1 | C | C5 | 0.5° | 0.0° |
| C2 | C1 | C | H13 | 179.5° | 180.0° |
| C3 | C4 | C8 | N7 | 0.4° | 0.0° |
| C3 | C4 | C8 | C5 | 179.6° | 180.0° |
| C3 | C4 | C8 | O | 179.9° | 180.0° |
| C3 | C4 | C5 | C | 0.9° | 0.0° |
| C4 | C3 | C2 | H1 | 179.9° | 179.7° |
| C3 | C4 | C5 | H2 | 179.1° | 179.9° |
| C15 | C16 | C9 | H15 | 180.0° | 179.4° |
| C15 | C16 | C9 | N7 | 177.4° | 179.7° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C15 | C16 | C9 | C12 | 0.2° | 0.5° |
| C16 | C15 | C14 | O17 | 179.6° | 180.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.3° |
| C16 | C9 | N7 | C12 | 177.6° | 179.8° |
| C16 | C9 | N7 | C8 | 79.8° | 70.7° |
| C9 | C16 | C15 | C14 | 0.2° | 0.6° |
| C16 | C9 | C12 | C13 | 0.6° | 0.2° |
| C16 | C9 | C12 | H7 | 179.3° | 179.7° |
| C9 | C16 | C15 | H9 | 179.8° | 179.5° |
| N7 | C9 | C12 | C13 | 178.2° | 180.0° |
| C9 | N7 | C8 | C4 | 168.5° | 180.0° |
| C9 | N7 | C8 | O | 11.0° | 0.0° |
| N7 | C9 | C12 | H7 | 1.7° | 0.1° |
| N7 | C9 | C16 | H15 | 2.6° | 0.3° |
| C8 | N7 | C9 | C12 | 97.8° | 109.5° |
| N7 | C8 | C4 | O | 179.5° | 180.0° |
| N7 | C8 | C4 | C5 | 179.2° | 180.0° |
| C15 | C14 | O17 | C13 | 179.1° | 179.8° |
| C15 | C14 | C13 | C12 | 1.4° | 0.0° |
| C15 | C14 | O17 | C18 | 159.4° | 180.0° |
| C15 | C14 | C13 | H8 | 178.6° | 179.9° |
| C14 | C15 | C16 | H15 | 179.8° | 179.9° |
| C1 | C | C5 | C4 | 0.3° | 0.1° |
| C1 | C | C5 | H13 | 180.0° | 180.0° |
| C | C1 | C2 | H1 | 179.3° | 179.7° |
| C1 | C | C5 | H2 | 179.7° | 180.0° |
| C9 | C12 | C13 | C14 | 1.4° | 0.0° |
| C9 | C12 | C13 | H7 | 180.0° | 179.9° |
| C9 | C12 | C13 | H8 | 178.6° | 179.9° |
| C12 | C9 | C16 | H15 | 179.8° | 179.9° |
| O17 | C14 | C13 | C12 | 179.6° | 179.7° |
| O17 | C14 | C13 | H8 | 0.4° | 0.3° |
| O17 | C14 | C15 | H9 | 0.4° | 0.0° |
| C14 | O17 | C18 | H10 | 180.0° | 60.0° |
| C14 | O17 | C18 | H11 | 60.0° | 60.0° |
| C14 | O17 | C18 | H12 | 60.0° | 180.0° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C14 | O17 | C18 | 21.6° | 0.2° |
| C14 | C13 | C12 | H7 | 178.6° | 179.9° |
| C13 | C14 | C15 | H9 | 179.5° | 179.8° |
| C8 | C4 | C5 | C | 179.5° | 179.9° |
| C8 | C4 | C5 | H2 | 0.5° | 0.0° |
| C5 | C4 | C8 | O | 0.3° | 0.0° |
| C4 | C5 | C | H2 | 180.0° | 179.9° |
| C4 | C5 | C | H13 | 179.7° | 179.9° |
| O17 | C18 | H10 | H11 | 120.0° | 120.0° |
| O17 | C18 | H10 | H12 | 120.0° | 120.0° |
| O17 | C18 | H11 | H12 | 120.0° | 120.0° |
| C5 | C | C1 | H14 | 179.5° | 180.0° |
| H1 | C2 | C1 | H14 | 0.7° | 0.3° |
| H2 | C5 | C | H13 | 0.3° | 0.0° |
| H3 | C10 | C11 | H5 | 168.9° | 60.0° |
| H3 | C10 | C11 | H6 | 72.4° | 180.0° |
| H4 | C10 | C11 | H5 | 47.3° | 180.0° |
| H4 | C10 | C11 | H6 | 166.0° | 60.0° |
| H7 | C12 | C13 | H8 | 1.4° | 0.0° |
| H9 | C15 | C16 | H15 | 0.2° | 0.1° |
| H10 | C18 | H11 | H12 | 120.0° | 120.0° |
| H13 | C | C1 | H14 | 0.5° | 0.0° |
| H16 | C24 | C25 | H17 | 0.6° | 0.1° |
| H17 | C25 | C26 | H18 | 0.3° | 0.0° |
| H19 | C31 | C32 | H20 | 62.6° | 60.0° |
| H19 | C31 | C32 | H21 | 177.4° | 60.0° |
| H19 | C31 | C32 | H22 | 57.4° | 179.9° |
| H19 | C31 | C33 | H23 | 62.6° | 60.1° |
| H19 | C31 | C33 | H24 | 57.4° | 60.0° |
| H19 | C31 | C33 | H25 | 177.4° | 180.0° |
| H20 | C32 | H21 | H22 | 120.0° | 120.0° |
| H23 | C33 | H24 | H25 | 120.0° | 120.0° |
