JD9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C14 | sing | 1.53Å | 1.53Å | |
| C37 | O05 | sing | 1.43Å | 1.41Å | |
| O09 | C14 | sing | 1.43Å | 1.40Å | |
| C14 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C16 | sing | 1.51Å | 1.54Å | |
| O05 | C18 | sing | 1.35Å | 1.41Å | |
| C39 | O03 | sing | 1.43Å | 1.42Å | |
| C16 | C18 | doub | 1.36Å | 1.30Å | |
| C16 | C24 | sing | 1.41Å | 1.58Å | |
| C18 | C26 | sing | 1.47Å | 1.46Å | |
| O03 | C27 | sing | 1.35Å | 1.43Å | |
| C27 | C22 | doub | 1.36Å | 1.30Å | |
| C27 | C28 | sing | 1.47Å | 1.45Å | |
| C26 | O06 | doub | 1.21Å | 1.40Å | |
| C26 | C31 | sing | 1.47Å | 1.50Å | |
| C24 | C29 | doub | 1.40Å | 1.44Å | Aromatic |
| C24 | C15 | sing | 1.42Å | 1.47Å | Aromatic |
| C29 | C22 | sing | 1.41Å | 1.57Å | |
| C29 | C30 | sing | 1.43Å | 1.51Å | Aromatic |
| C22 | C19 | sing | 1.50Å | 1.55Å | |
| O02 | C28 | doub | 1.22Å | 1.39Å | |
| C28 | C35 | sing | 1.46Å | 1.47Å | |
| C19 | C34 | sing | 1.53Å | 1.53Å | |
| C15 | C31 | sing | 1.41Å | 1.43Å | Aromatic |
| C15 | C21 | doub | 1.41Å | 1.36Å | Aromatic |
| C35 | C17 | sing | 1.40Å | 1.29Å | Aromatic |
| C35 | C30 | doub | 1.41Å | 1.56Å | Aromatic |
| C33 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | C23 | doub | 1.41Å | 1.58Å | Aromatic |
| C33 | C21 | sing | 1.46Å | 1.34Å | Aromatic |
| C31 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | C32 | doub | 1.39Å | 1.49Å | Aromatic |
| C17 | O07 | sing | 1.35Å | 1.41Å | |
| C32 | C23 | sing | 1.39Å | 1.29Å | Aromatic |
| C23 | O01 | sing | 1.35Å | 1.41Å | |
| C12 | O08 | sing | 1.35Å | 1.42Å | |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C34 | O10 | sing | 1.43Å | 1.40Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| O01 | C11 | sing | 1.43Å | 1.42Å | |
| C20 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | O04 | sing | 1.35Å | 1.40Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| O04 | H11 | sing | 0.97Å | 0.95Å | |
| O07 | H13 | sing | 0.97Å | 0.95Å | |
| O08 | H14 | sing | 0.97Å | 0.95Å | |
| O09 | H15 | sing | 0.97Å | 0.95Å | |
| O10 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C14 | O09 | 113.3° | 109.4° |
| C38 | C14 | C25 | 105.4° | 109.5° |
| C38 | C14 | H21 | 108.2° | 109.5° |
| C14 | C38 | H41 | 109.5° | 109.5° |
| C14 | C38 | H42 | 109.5° | 109.4° |
| C14 | C38 | H43 | 109.5° | 109.5° |
| C37 | O05 | C18 | 114.8° | 117.0° |
| O05 | C37 | H38 | 109.5° | 109.4° |
| O05 | C37 | H39 | 109.4° | 109.5° |
| O05 | C37 | H40 | 109.5° | 109.5° |
| O09 | C14 | C25 | 111.7° | 109.4° |
| C14 | O09 | H15 | 109.5° | 114.1° |
| O09 | C14 | H21 | 109.9° | 109.5° |
| C14 | C25 | C16 | 117.6° | 109.5° |
| C25 | C14 | H21 | 108.0° | 109.5° |
| C14 | C25 | H25 | 107.4° | 109.5° |
| C14 | C25 | H26 | 107.4° | 109.5° |
| C25 | C16 | C18 | 120.0° | 118.0° |
| C25 | C16 | C24 | 124.0° | 120.8° |
| C16 | C25 | H25 | 107.4° | 109.5° |
| C16 | C25 | H26 | 107.4° | 109.5° |
| O05 | C18 | C16 | 120.2° | 120.7° |
| O05 | C18 | C26 | 120.0° | 120.3° |
| C39 | O03 | C27 | 116.1° | 117.0° |
| O03 | C39 | H44 | 109.5° | 109.4° |
| O03 | C39 | H45 | 109.5° | 109.5° |
| O03 | C39 | H46 | 109.5° | 109.5° |
| C18 | C16 | C24 | 114.0° | 121.0° |
| C16 | C18 | C26 | 119.6° | 119.0° |
| C16 | C24 | C29 | 115.9° | 124.2° |
| C16 | C24 | C15 | 109.6° | 116.8° |
| C18 | C26 | O06 | 120.0° | 121.2° |
| C18 | C26 | C31 | 120.8° | 116.6° |
| O03 | C27 | C22 | 120.6° | 120.3° |
| O03 | C27 | C28 | 119.9° | 120.5° |
| C22 | C27 | C28 | 118.6° | 119.2° |
| C27 | C22 | C29 | 119.3° | 120.6° |
| C27 | C22 | C19 | 122.4° | 117.8° |
| C27 | C28 | O02 | 120.5° | 120.8° |
| C27 | C28 | C35 | 122.4° | 117.2° |
| O06 | C26 | C31 | 119.1° | 122.1° |
| C26 | C31 | C15 | 113.6° | 118.2° |
| C26 | C31 | C12 | 111.5° | 122.0° |
| C29 | C24 | C15 | 115.6° | 118.9° |
| C24 | C29 | C22 | 125.2° | 124.4° |
| C24 | C29 | C30 | 112.5° | 117.9° |
| C24 | C15 | C31 | 104.5° | 119.7° |
| C24 | C15 | C21 | 115.5° | 120.6° |
| C22 | C29 | C30 | 113.3° | 117.7° |
| C29 | C22 | C19 | 118.0° | 121.6° |
| C29 | C30 | C35 | 107.1° | 119.4° |
| C29 | C30 | C33 | 114.5° | 121.3° |
| C22 | C19 | C34 | 112.3° | 109.5° |
| C22 | C19 | H22 | 108.7° | 109.5° |
| C22 | C19 | H23 | 108.8° | 109.5° |
| O02 | C28 | C35 | 117.2° | 122.0° |
| C28 | C35 | C17 | 119.2° | 122.0° |
| C28 | C35 | C30 | 117.2° | 118.2° |
| C19 | C34 | O10 | 108.1° | 109.5° |
| C19 | C34 | C36 | 113.0° | 109.4° |
| C34 | C19 | H22 | 108.7° | 109.5° |
| C34 | C19 | H23 | 108.8° | 109.5° |
| C19 | C34 | H33 | 108.7° | 109.5° |
| C31 | C15 | C21 | 113.7° | 119.6° |
| C15 | C31 | C12 | 115.3° | 119.8° |
| C15 | C21 | C33 | 109.3° | 117.9° |
| C15 | C21 | C20 | 111.8° | 117.9° |
| C17 | C35 | C30 | 118.1° | 119.8° |
| C35 | C17 | C32 | 119.8° | 119.5° |
| C35 | C17 | O07 | 119.8° | 120.6° |
| C35 | C30 | C33 | 113.2° | 119.3° |
| C30 | C33 | C23 | 113.5° | 118.3° |
| C30 | C33 | C21 | 106.2° | 118.1° |
| C23 | C33 | C21 | 123.6° | 123.6° |
| C33 | C23 | C32 | 119.8° | 119.8° |
| C33 | C23 | O01 | 122.1° | 122.1° |
| C33 | C21 | C20 | 125.8° | 124.2° |
| C31 | C12 | O08 | 117.0° | 120.7° |
| C31 | C12 | C13 | 112.7° | 119.4° |
| C32 | C17 | O07 | 120.2° | 119.8° |
| C17 | C32 | C23 | 120.3° | 120.8° |
| C17 | C32 | H30 | 119.9° | 119.9° |
| C17 | O07 | H13 | 109.5° | 114.0° |
| C32 | C23 | O01 | 116.3° | 118.1° |
| C23 | C32 | H30 | 119.8° | 119.4° |
| C23 | O01 | C11 | 117.6° | 117.0° |
| O08 | C12 | C13 | 117.4° | 119.8° |
| C12 | O08 | H14 | 109.5° | 114.0° |
| C12 | C13 | C20 | 112.0° | 120.6° |
| C12 | C13 | H1 | 124.0° | 119.8° |
| C21 | C20 | C13 | 124.5° | 120.1° |
| C21 | C20 | O04 | 116.6° | 121.8° |
| O10 | C34 | C36 | 107.7° | 109.4° |
| C34 | O10 | H16 | 109.5° | 114.0° |
| O10 | C34 | H33 | 110.6° | 109.5° |
| C36 | C34 | H33 | 108.7° | 109.5° |
| C34 | C36 | H35 | 109.5° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.4° |
| C34 | C36 | H37 | 109.4° | 109.5° |
| O01 | C11 | H17 | 109.5° | 109.5° |
| O01 | C11 | H18 | 109.5° | 109.5° |
| O01 | C11 | H19 | 109.5° | 109.5° |
| C13 | C20 | O04 | 111.3° | 118.1° |
| C20 | C13 | H1 | 124.0° | 119.6° |
| C20 | O04 | H11 | 109.5° | 114.0° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.5° | 109.5° |
| H35 | C36 | H37 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.4° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H40 | 109.4° | 109.4° |
| H39 | C37 | H40 | 109.5° | 109.5° |
| H41 | C38 | H42 | 109.5° | 109.4° |
| H41 | C38 | H43 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.5° | 109.5° |
| H44 | C39 | H45 | 109.4° | 109.4° |
| H44 | C39 | H46 | 109.5° | 109.5° |
| H45 | C39 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C14 | O09 | C25 | 119.0° | 119.9° |
| C38 | C14 | O09 | H21 | 121.1° | 120.0° |
| C38 | C14 | C25 | H21 | 115.5° | 120.0° |
| C38 | C14 | C25 | C16 | 156.3° | 175.0° |
| C38 | C14 | O09 | H15 | 180.0° | 60.0° |
| C38 | C14 | C25 | H25 | 35.1° | 65.0° |
| C38 | C14 | C25 | H26 | 82.5° | 55.0° |
| C14 | C38 | H41 | H42 | 120.0° | 120.0° |
| C14 | C38 | H41 | H43 | 120.0° | 120.1° |
| C14 | C38 | H42 | H43 | 120.0° | 120.0° |
| C37 | O05 | C18 | C16 | 75.9° | 90.1° |
| C37 | O05 | C18 | C26 | 98.6° | 92.6° |
| O05 | C37 | H38 | H39 | 120.0° | 120.0° |
| O05 | C37 | H38 | H40 | 120.0° | 119.9° |
| O05 | C37 | H39 | H40 | 120.0° | 120.0° |
| O09 | C14 | C25 | H21 | 121.0° | 120.0° |
| O09 | C14 | C25 | C16 | 32.7° | 65.0° |
| O09 | C14 | C25 | H25 | 88.4° | 55.0° |
| O09 | C14 | C25 | H26 | 153.9° | 175.0° |
| O09 | C14 | C38 | H41 | 180.0° | 60.1° |
| O09 | C14 | C38 | H42 | 60.0° | 180.0° |
| O09 | C14 | C38 | H43 | 60.0° | 60.0° |
| C14 | C25 | C16 | H25 | 121.2° | 120.0° |
| C14 | C25 | C16 | H26 | 121.2° | 120.0° |
| C14 | C25 | C16 | C18 | 144.0° | 90.0° |
| C14 | C25 | C16 | C24 | 53.2° | 85.1° |
| C25 | C14 | O09 | H15 | 61.1° | 59.9° |
| C14 | C25 | H25 | H26 | 116.3° | 120.0° |
| C25 | C14 | C38 | H41 | 57.5° | 180.0° |
| C25 | C14 | C38 | H42 | 62.5° | 60.0° |
| C25 | C14 | C38 | H43 | 177.5° | 60.0° |
| C25 | C16 | C18 | O05 | 10.6° | 14.0° |
| C25 | C16 | C18 | C24 | 164.4° | 175.1° |
| C25 | C16 | C18 | C26 | 174.9° | 163.4° |
| C25 | C16 | C24 | C29 | 12.8° | 31.4° |
| C25 | C16 | C24 | C15 | 145.8° | 143.8° |
| C16 | C25 | C14 | H21 | 88.2° | 55.0° |
| C16 | C25 | H25 | H26 | 116.3° | 120.0° |
| O05 | C18 | C16 | C26 | 174.5° | 177.4° |
| O05 | C18 | C16 | C24 | 175.0° | 171.0° |
| O05 | C18 | C26 | O06 | 14.6° | 13.7° |
| O05 | C18 | C26 | C31 | 167.2° | 163.1° |
| C18 | O05 | C37 | H38 | 180.0° | 60.1° |
| C18 | O05 | C37 | H39 | 60.0° | 60.0° |
| C18 | O05 | C37 | H40 | 60.0° | 180.0° |
| C39 | O03 | C27 | C22 | 83.3° | 89.9° |
| C39 | O03 | C27 | C28 | 107.9° | 92.3° |
| O03 | C39 | H44 | H45 | 120.0° | 120.0° |
| O03 | C39 | H44 | H46 | 120.0° | 120.0° |
| O03 | C39 | H45 | H46 | 120.0° | 120.0° |
| C16 | C18 | C26 | O06 | 170.8° | 168.9° |
| C16 | C18 | C26 | C31 | 7.3° | 14.2° |
| C18 | C16 | C24 | C29 | 176.5° | 153.7° |
| C18 | C16 | C24 | C15 | 50.5° | 31.1° |
| C18 | C16 | C25 | H25 | 22.8° | 30.0° |
| C18 | C16 | C25 | H26 | 94.8° | 150.0° |
| C24 | C16 | C18 | C26 | 10.5° | 11.7° |
| C16 | C24 | C29 | C15 | 130.1° | 175.1° |
| C16 | C24 | C29 | C22 | 66.6° | 30.1° |
| C16 | C24 | C29 | C30 | 148.9° | 152.4° |
| C16 | C24 | C15 | C31 | 70.0° | 23.9° |
| C16 | C24 | C15 | C21 | 164.3° | 153.1° |
| C24 | C16 | C25 | H25 | 174.4° | 154.9° |
| C24 | C16 | C25 | H26 | 67.9° | 34.9° |
| C18 | C26 | O06 | C31 | 178.2° | 176.7° |
| C18 | C26 | C31 | C15 | 14.9° | 20.5° |
| C18 | C26 | C31 | C12 | 147.3° | 157.5° |
| O03 | C27 | C22 | C28 | 168.9° | 177.8° |
| O03 | C27 | C22 | C29 | 166.8° | 169.9° |
| O03 | C27 | C22 | C19 | 7.6° | 8.5° |
| O03 | C27 | C28 | O02 | 1.1° | 12.7° |
| O03 | C27 | C28 | C35 | 179.4° | 165.8° |
| C27 | O03 | C39 | H44 | 180.0° | 180.0° |
| C27 | O03 | C39 | H45 | 60.0° | 60.0° |
| C27 | O03 | C39 | H46 | 60.0° | 60.0° |
| C27 | C22 | C29 | C24 | 168.2° | 152.3° |
| C27 | C22 | C29 | C19 | 174.6° | 178.4° |
| C27 | C22 | C29 | C30 | 47.6° | 30.2° |
| C22 | C27 | C28 | O02 | 170.1° | 169.5° |
| C22 | C27 | C28 | C35 | 10.4° | 12.0° |
| C27 | C22 | C19 | C34 | 69.2° | 90.0° |
| C27 | C22 | C19 | H22 | 170.4° | 150.0° |
| C27 | C22 | C19 | H23 | 51.3° | 30.1° |
| C28 | C27 | C22 | C29 | 24.3° | 12.3° |
| C28 | C27 | C22 | C19 | 161.3° | 169.3° |
| C27 | C28 | O02 | C35 | 179.5° | 178.4° |
| C27 | C28 | C35 | C17 | 171.7° | 161.5° |
| C27 | C28 | C35 | C30 | 18.3° | 18.4° |
| O06 | C26 | C31 | C15 | 166.9° | 162.7° |
| O06 | C26 | C31 | C12 | 34.5° | 19.4° |
| C26 | C31 | C15 | C24 | 51.7° | 1.5° |
| C26 | C31 | C15 | C12 | 130.5° | 178.0° |
| C26 | C31 | C15 | C21 | 178.6° | 178.6° |
| C26 | C31 | C12 | O08 | 33.9° | 8.8° |
| C26 | C31 | C12 | C13 | 174.7° | 168.9° |
| C24 | C29 | C22 | C30 | 144.3° | 177.5° |
| C24 | C29 | C22 | C19 | 6.5° | 26.1° |
| C29 | C24 | C15 | C31 | 156.9° | 160.6° |
| C29 | C24 | C15 | C21 | 31.2° | 22.4° |
| C24 | C29 | C30 | C35 | 161.1° | 159.4° |
| C24 | C29 | C30 | C33 | 34.6° | 19.1° |
| C15 | C24 | C29 | C22 | 163.3° | 154.8° |
| C15 | C24 | C29 | C30 | 18.8° | 22.7° |
| C24 | C15 | C31 | C21 | 126.8° | 177.0° |
| C24 | C15 | C21 | C33 | 59.1° | 17.0° |
| C24 | C15 | C31 | C12 | 177.8° | 176.4° |
| C24 | C15 | C21 | C20 | 157.1° | 162.9° |
| C29 | C22 | C19 | C34 | 116.4° | 91.6° |
| C22 | C29 | C30 | C35 | 50.0° | 22.9° |
| C22 | C29 | C30 | C33 | 176.5° | 158.6° |
| C29 | C22 | C19 | H22 | 4.0° | 28.4° |
| C29 | C22 | C19 | H23 | 123.2° | 148.3° |
| C30 | C29 | C22 | C19 | 137.8° | 151.4° |
| C29 | C30 | C35 | C28 | 37.9° | 1.1° |
| C29 | C30 | C35 | C17 | 168.5° | 178.8° |
| C29 | C30 | C35 | C33 | 127.2° | 178.5° |
| C29 | C30 | C33 | C23 | 159.8° | 165.9° |
| C29 | C30 | C33 | C21 | 61.2° | 14.0° |
| C22 | C19 | C34 | H22 | 120.4° | 120.0° |
| C22 | C19 | C34 | H23 | 120.4° | 120.0° |
| C22 | C19 | C34 | O10 | 176.1° | 65.0° |
| C22 | C19 | C34 | C36 | 57.0° | 175.0° |
| C22 | C19 | H22 | H23 | 118.7° | 119.9° |
| C22 | C19 | C34 | H33 | 63.8° | 55.0° |
| O02 | C28 | C35 | C17 | 8.8° | 17.0° |
| O02 | C28 | C35 | C30 | 162.2° | 163.1° |
| C28 | C35 | C17 | C30 | 153.1° | 179.9° |
| C28 | C35 | C30 | C33 | 165.1° | 177.4° |
| C28 | C35 | C17 | C32 | 176.1° | 172.0° |
| C28 | C35 | C17 | O07 | 8.9° | 6.2° |
| C19 | C34 | O10 | C36 | 122.4° | 119.9° |
| C19 | C34 | O10 | H33 | 118.9° | 120.1° |
| C19 | C34 | C36 | H33 | 120.8° | 120.1° |
| C19 | C34 | O10 | H16 | 180.0° | 60.0° |
| C34 | C19 | H22 | H23 | 118.7° | 120.0° |
| C19 | C34 | C36 | H35 | 180.0° | 60.0° |
| C19 | C34 | C36 | H36 | 60.0° | 180.0° |
| C19 | C34 | C36 | H37 | 60.0° | 60.1° |
| C31 | C15 | C21 | C33 | 180.0° | 166.0° |
| C15 | C31 | C12 | O08 | 165.4° | 173.3° |
| C15 | C31 | C12 | C13 | 53.8° | 9.0° |
| C31 | C15 | C21 | C20 | 36.2° | 14.0° |
| C15 | C21 | C33 | C30 | 72.7° | 12.6° |
| C15 | C21 | C33 | C23 | 153.6° | 167.3° |
| C15 | C21 | C33 | C20 | 137.5° | 179.9° |
| C21 | C15 | C31 | C12 | 50.9° | 0.6° |
| C15 | C21 | C20 | C13 | 31.0° | 18.3° |
| C15 | C21 | C20 | O04 | 177.7° | 160.0° |
| C17 | C35 | C30 | C33 | 41.3° | 2.7° |
| C35 | C17 | C32 | O07 | 175.0° | 178.2° |
| C35 | C17 | C32 | C23 | 19.9° | 5.4° |
| C35 | C17 | O07 | H13 | 13.9° | 88.1° |
| C35 | C17 | C32 | H30 | 160.1° | 174.4° |
| C35 | C30 | C33 | C23 | 36.6° | 15.6° |
| C35 | C30 | C33 | C21 | 175.6° | 164.5° |
| C30 | C35 | C17 | C32 | 30.8° | 7.9° |
| C30 | C35 | C17 | O07 | 144.2° | 173.9° |
| C30 | C33 | C23 | C21 | 130.8° | 179.9° |
| C30 | C33 | C23 | C32 | 28.0° | 18.3° |
| C30 | C33 | C23 | O01 | 167.6° | 163.1° |
| C30 | C33 | C21 | C20 | 149.9° | 167.3° |
| C33 | C23 | C32 | C17 | 17.2° | 7.8° |
| C33 | C23 | C32 | O01 | 165.2° | 178.7° |
| C23 | C33 | C21 | C20 | 16.2° | 12.8° |
| C33 | C23 | O01 | C11 | 156.3° | 178.7° |
| C33 | C23 | C32 | H30 | 162.8° | 172.4° |
| C21 | C33 | C23 | C32 | 158.8° | 161.9° |
| C21 | C33 | C23 | O01 | 36.9° | 16.8° |
| C33 | C21 | C20 | C13 | 167.6° | 161.8° |
| C33 | C21 | C20 | O04 | 45.7° | 19.9° |
| C31 | C12 | O08 | C13 | 138.9° | 177.6° |
| C31 | C12 | C13 | C20 | 43.0° | 4.9° |
| C31 | C12 | C13 | H1 | 137.0° | 173.0° |
| C31 | C12 | O08 | H14 | 19.3° | 87.5° |
| C17 | C32 | C23 | H30 | 180.0° | 179.8° |
| C17 | C32 | C23 | O01 | 177.6° | 173.4° |
| C32 | C17 | O07 | H13 | 171.1° | 90.1° |
| O07 | C17 | C32 | C23 | 155.1° | 176.4° |
| O07 | C17 | C32 | H30 | 24.9° | 3.9° |
| C32 | C23 | O01 | C11 | 38.9° | 0.0° |
| C23 | O01 | C11 | H17 | 180.0° | 60.0° |
| C23 | O01 | C11 | H18 | 60.0° | 60.0° |
| C23 | O01 | C11 | H19 | 60.0° | 180.0° |
| O01 | C23 | C32 | H30 | 2.4° | 6.3° |
| O08 | C12 | C13 | C20 | 176.5° | 177.4° |
| O08 | C12 | C13 | H1 | 3.6° | 4.6° |
| C12 | C13 | C20 | C21 | 34.1° | 9.0° |
| C12 | C13 | C20 | H1 | 180.0° | 177.9° |
| C12 | C13 | C20 | O04 | 177.8° | 169.4° |
| C13 | C12 | O08 | H14 | 158.2° | 90.1° |
| C21 | C20 | C13 | O04 | 148.1° | 178.4° |
| C21 | C20 | C13 | H1 | 145.9° | 173.1° |
| C21 | C20 | O04 | H11 | 180.0° | 91.8° |
| O10 | C34 | C36 | H33 | 119.9° | 120.0° |
| O10 | C34 | C19 | H22 | 55.7° | 175.0° |
| O10 | C34 | C19 | H23 | 63.4° | 55.0° |
| O10 | C34 | C36 | H35 | 60.7° | 60.0° |
| O10 | C34 | C36 | H36 | 179.3° | 60.0° |
| O10 | C34 | C36 | H37 | 59.3° | 180.0° |
| C36 | C34 | O10 | H16 | 57.6° | 60.0° |
| C36 | C34 | C19 | H22 | 63.4° | 55.0° |
| C36 | C34 | C19 | H23 | 177.5° | 64.9° |
| C34 | C36 | H35 | H36 | 120.0° | 120.0° |
| C34 | C36 | H35 | H37 | 120.0° | 120.0° |
| C34 | C36 | H36 | H37 | 119.9° | 119.9° |
| O01 | C11 | H17 | H18 | 120.0° | 120.0° |
| O01 | C11 | H17 | H19 | 120.0° | 120.0° |
| O01 | C11 | H18 | H19 | 120.0° | 119.9° |
| C13 | C20 | O04 | H11 | 29.1° | 86.6° |
| O04 | C20 | C13 | H1 | 2.2° | 8.5° |
| H15 | O09 | C14 | H21 | 58.8° | 180.0° |
| H16 | O10 | C34 | H33 | 61.1° | 180.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.1° |
| H21 | C14 | C25 | H25 | 150.6° | 175.0° |
| H21 | C14 | C25 | H26 | 32.9° | 65.0° |
| H21 | C14 | C38 | H41 | 57.9° | 60.0° |
| H21 | C14 | C38 | H42 | 177.9° | 60.0° |
| H21 | C14 | C38 | H43 | 62.1° | NaN° |
| H22 | C19 | C34 | H33 | 175.8° | 65.0° |
| H23 | C19 | C34 | H33 | 56.6° | 175.0° |
| H33 | C34 | C36 | H35 | 59.2° | 180.0° |
| H33 | C34 | C36 | H36 | 60.9° | 59.9° |
| H33 | C34 | C36 | H37 | 179.2° | 60.0° |
| H35 | C36 | H36 | H37 | 120.0° | 120.0° |
| H38 | C37 | H39 | H40 | 120.0° | 120.0° |
| H41 | C38 | H42 | H43 | 120.0° | 120.0° |
| H44 | C39 | H45 | H46 | 120.0° | 120.0° |
