D1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| O13 | C12 | sing | 1.36Å | 1.36Å | |
| O13 | C14 | sing | 1.43Å | 1.45Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.54Å | 1.55Å | |
| C8 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | O16 | sing | 1.36Å | 1.38Å | |
| C7 | C3 | sing | 1.48Å | 1.47Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.32Å | Aromatic |
| C17 | N18 | sing | 1.46Å | 1.48Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.38Å | Aromatic |
| C34 | N32 | sing | 1.47Å | 1.52Å | |
| N18 | C19 | sing | 1.35Å | 1.26Å | |
| O20 | C19 | doub | 1.21Å | 1.22Å | |
| C6 | C1 | sing | 1.40Å | 1.34Å | Aromatic |
| C6 | N24 | sing | 1.40Å | 1.37Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | O22 | sing | 1.36Å | 1.38Å | |
| C19 | C21 | sing | 1.51Å | 1.51Å | |
| C30 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| N32 | C33 | sing | 1.47Å | 1.49Å | |
| N32 | C31 | sing | 1.47Å | 1.53Å | |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | N24 | sing | 1.40Å | 1.36Å | |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C31 | sing | 1.51Å | 1.54Å | |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| C21 | C35 | sing | 1.53Å | 1.52Å | |
| C21 | C39 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| C36 | O37 | sing | 1.43Å | 1.45Å | |
| C38 | O37 | sing | 1.43Å | 1.44Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C39 | H2 | sing | 1.09Å | 1.10Å | |
| C39 | H3 | sing | 1.09Å | 1.10Å | |
| C38 | H4 | sing | 1.09Å | 1.10Å | |
| C38 | H5 | sing | 1.09Å | 1.10Å | |
| C36 | H6 | sing | 1.09Å | 1.10Å | |
| C36 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C12 | 122.3° | 120.4° |
| C10 | C9 | C8 | 122.2° | 120.2° |
| C9 | C10 | H16 | 118.9° | 119.8° |
| C10 | C9 | H17 | 118.9° | 119.9° |
| C10 | C12 | O13 | 119.2° | 119.4° |
| C10 | C12 | C11 | 117.3° | 119.9° |
| C12 | C10 | H16 | 118.8° | 119.8° |
| C9 | C8 | C7 | 115.4° | 120.0° |
| C8 | C9 | H17 | 118.9° | 119.8° |
| C9 | C8 | H18 | 122.3° | 120.0° |
| C12 | O13 | C14 | 118.3° | 116.7° |
| O13 | C12 | C11 | 123.4° | 120.7° |
| O13 | C14 | C15 | 104.5° | 108.3° |
| O13 | C14 | H14 | 110.7° | 109.7° |
| O13 | C14 | H15 | 110.7° | 109.8° |
| C12 | C11 | C7 | 121.1° | 119.7° |
| C12 | C11 | O16 | 117.0° | 120.9° |
| C14 | C15 | O16 | 110.1° | 108.2° |
| C14 | C15 | C17 | 110.0° | 109.7° |
| C14 | C15 | H13 | 109.0° | 109.7° |
| C15 | C14 | H14 | 110.7° | 109.6° |
| C15 | C14 | H15 | 110.7° | 109.7° |
| C8 | C7 | C11 | 121.5° | 119.8° |
| C8 | C7 | C3 | 118.0° | 120.1° |
| C7 | C8 | H18 | 122.3° | 120.0° |
| C7 | C11 | O16 | 121.9° | 119.4° |
| C11 | C7 | C3 | 120.3° | 120.1° |
| C11 | O16 | C15 | 116.7° | 116.7° |
| C7 | C3 | C4 | 119.3° | 119.6° |
| C7 | C3 | N2 | 120.6° | 119.6° |
| O16 | C15 | C17 | 107.8° | 109.7° |
| O16 | C15 | H13 | 110.5° | 109.7° |
| C15 | C17 | N18 | 117.4° | 109.5° |
| C15 | C17 | H11 | 107.5° | 109.5° |
| C15 | C17 | H12 | 107.4° | 109.5° |
| C17 | C15 | H13 | 109.4° | 109.7° |
| C3 | C4 | C5 | 122.5° | 119.2° |
| C4 | C3 | N2 | 119.9° | 120.8° |
| C3 | C4 | H19 | 118.7° | 120.4° |
| C4 | C5 | C6 | 116.8° | 118.5° |
| C5 | C4 | H19 | 118.7° | 120.4° |
| C4 | C5 | H20 | 121.6° | 120.7° |
| C3 | N2 | C1 | 116.5° | 121.6° |
| C17 | N18 | C19 | 116.4° | 120.0° |
| C17 | N18 | H10 | 121.8° | 120.0° |
| N18 | C17 | H11 | 107.5° | 109.5° |
| N18 | C17 | H12 | 107.5° | 109.4° |
| C5 | C6 | C1 | 117.2° | 119.2° |
| C5 | C6 | N24 | 131.1° | 120.4° |
| C6 | C5 | H20 | 121.6° | 120.7° |
| N2 | C1 | C6 | 127.0° | 120.7° |
| N2 | C1 | O22 | 118.5° | 119.7° |
| C34 | N32 | C33 | 109.2° | 111.0° |
| C34 | N32 | C31 | 116.1° | 111.0° |
| N32 | C34 | H32 | 109.5° | 109.5° |
| N32 | C34 | H33 | 109.5° | 109.5° |
| N32 | C34 | H34 | 109.5° | 109.5° |
| N18 | C19 | O20 | 117.0° | 120.0° |
| N18 | C19 | C21 | 125.7° | 120.0° |
| C19 | N18 | H10 | 121.8° | 120.0° |
| O20 | C19 | C21 | 116.9° | 120.0° |
| C1 | C6 | N24 | 111.7° | 120.4° |
| C6 | C1 | O22 | 114.5° | 119.7° |
| C6 | N24 | C25 | 124.0° | 120.0° |
| C6 | N24 | H24 | 118.0° | 120.0° |
| C30 | C29 | C28 | 120.6° | 120.1° |
| C29 | C30 | C25 | 121.2° | 119.9° |
| C29 | C30 | H25 | 119.4° | 120.0° |
| C30 | C29 | H26 | 119.7° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.1° |
| C28 | C29 | H26 | 119.7° | 119.9° |
| C29 | C28 | H27 | 120.0° | 119.9° |
| C1 | O22 | C23 | 115.8° | 117.0° |
| C19 | C21 | C35 | 117.5° | 109.5° |
| C19 | C21 | C39 | 116.6° | 109.5° |
| C19 | C21 | H1 | 102.2° | 109.6° |
| C30 | C25 | N24 | 121.9° | 120.1° |
| C30 | C25 | C26 | 118.2° | 119.8° |
| C25 | C30 | H25 | 119.4° | 120.0° |
| C33 | N32 | C31 | 113.3° | 111.0° |
| N32 | C33 | H35 | 109.5° | 109.5° |
| N32 | C33 | H36 | 109.5° | 109.5° |
| N32 | C33 | H37 | 109.5° | 109.5° |
| N32 | C31 | C27 | 109.7° | 109.4° |
| N32 | C31 | H29 | 109.4° | 109.5° |
| N32 | C31 | H30 | 109.4° | 109.5° |
| C28 | C27 | C26 | 119.8° | 120.1° |
| C28 | C27 | C31 | 116.1° | 120.0° |
| C27 | C28 | H27 | 120.0° | 119.9° |
| N24 | C25 | C26 | 119.6° | 120.0° |
| C25 | N24 | H24 | 118.0° | 120.0° |
| C25 | C26 | C27 | 120.3° | 119.9° |
| C25 | C26 | H28 | 119.8° | 120.1° |
| C26 | C27 | C31 | 123.8° | 119.9° |
| C27 | C26 | H28 | 119.9° | 120.1° |
| C27 | C31 | H29 | 109.4° | 109.5° |
| C27 | C31 | H30 | 109.4° | 109.4° |
| O22 | C23 | H21 | 109.5° | 109.5° |
| O22 | C23 | H22 | 109.5° | 109.4° |
| O22 | C23 | H23 | 109.5° | 109.4° |
| C35 | C21 | C39 | 113.1° | 109.1° |
| C21 | C35 | C36 | 112.6° | 109.1° |
| C35 | C21 | H1 | 102.1° | 109.6° |
| C21 | C35 | H8 | 108.7° | 109.5° |
| C21 | C35 | H9 | 108.7° | 109.5° |
| C21 | C39 | C38 | 110.6° | 109.2° |
| C39 | C21 | H1 | 101.9° | 109.6° |
| C21 | C39 | H2 | 109.2° | 109.5° |
| C21 | C39 | H3 | 109.2° | 109.5° |
| C35 | C36 | O37 | 110.0° | 109.5° |
| C35 | C36 | H6 | 109.3° | 109.5° |
| C35 | C36 | H7 | 109.4° | 109.5° |
| C36 | C35 | H8 | 108.7° | 109.5° |
| C36 | C35 | H9 | 108.7° | 109.6° |
| C39 | C38 | O37 | 108.7° | 109.4° |
| C38 | C39 | H2 | 109.2° | 109.5° |
| C38 | C39 | H3 | 109.2° | 109.5° |
| C39 | C38 | H4 | 109.7° | 109.4° |
| C39 | C38 | H5 | 109.7° | 109.4° |
| C36 | O37 | C38 | 110.8° | 114.1° |
| O37 | C36 | H6 | 109.4° | 109.5° |
| O37 | C36 | H7 | 109.3° | 109.5° |
| O37 | C38 | H4 | 109.7° | 109.5° |
| O37 | C38 | H5 | 109.7° | 109.5° |
| H2 | C39 | H3 | 109.4° | 109.6° |
| H4 | C38 | H5 | 109.5° | 109.5° |
| H6 | C36 | H7 | 109.4° | 109.4° |
| H8 | C35 | H9 | 109.5° | 109.6° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.7° |
| H21 | C23 | H22 | 109.5° | 109.6° |
| H21 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H32 | C34 | H34 | 109.4° | 109.5° |
| H33 | C34 | H34 | 109.4° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.5° |
| H35 | C33 | H37 | 109.5° | 109.5° |
| H36 | C33 | H37 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C12 | H16 | 180.0° | 179.9° |
| C10 | C9 | C8 | H17 | 180.0° | 180.0° |
| C9 | C10 | C12 | O13 | 179.1° | 179.9° |
| C9 | C10 | C12 | C11 | 2.9° | 0.1° |
| C10 | C9 | C8 | C7 | 4.7° | 0.1° |
| C10 | C9 | C8 | H18 | 175.4° | 179.9° |
| C12 | C10 | C9 | C8 | 4.8° | 0.0° |
| C10 | C12 | O13 | C11 | 177.9° | 180.0° |
| C10 | C12 | O13 | C14 | 164.8° | 162.7° |
| C10 | C12 | C11 | C7 | 1.3° | 0.1° |
| C10 | C12 | C11 | O16 | 179.0° | 179.5° |
| C12 | C10 | C9 | H17 | 175.2° | 180.0° |
| C9 | C8 | C7 | H18 | 180.0° | 180.0° |
| C9 | C8 | C7 | C11 | 3.1° | 0.0° |
| C9 | C8 | C7 | C3 | 178.9° | 180.0° |
| C8 | C9 | C10 | H16 | 175.1° | 179.9° |
| C12 | O13 | C14 | C15 | 43.1° | 46.2° |
| O13 | C12 | C11 | C7 | 179.2° | 179.8° |
| O13 | C12 | C11 | O16 | 3.0° | 0.5° |
| C12 | O13 | C14 | H14 | 162.3° | 73.4° |
| C12 | O13 | C14 | H15 | 76.1° | 166.0° |
| O13 | C12 | C10 | H16 | 0.9° | 0.1° |
| C14 | O13 | C12 | C11 | 13.1° | 17.4° |
| O13 | C14 | C15 | H14 | 119.2° | 119.7° |
| O13 | C14 | C15 | H15 | 119.2° | 119.8° |
| O13 | C14 | C15 | O16 | 61.0° | 59.6° |
| O13 | C14 | C15 | C17 | 179.7° | 179.3° |
| O13 | C14 | C15 | H13 | 60.4° | 60.0° |
| O13 | C14 | H14 | H15 | 122.3° | 120.7° |
| C12 | C11 | C7 | C8 | 1.5° | 0.1° |
| C12 | C11 | C7 | O16 | 177.6° | 179.6° |
| C12 | C11 | C7 | C3 | 177.3° | 179.9° |
| C12 | C11 | O16 | C15 | 17.6° | 17.3° |
| C11 | C12 | C10 | H16 | 177.1° | 180.0° |
| C14 | C15 | O16 | C11 | 50.7° | 46.1° |
| C14 | C15 | O16 | C17 | 120.0° | 119.7° |
| C14 | C15 | O16 | H13 | 120.4° | 119.7° |
| C14 | C15 | C17 | H13 | 119.7° | 120.7° |
| C14 | C15 | C17 | N18 | 153.6° | 178.7° |
| C14 | C15 | C17 | H11 | 32.5° | 61.3° |
| C14 | C15 | C17 | H12 | 85.2° | 58.7° |
| C15 | C14 | H14 | H15 | 122.3° | 120.6° |
| C8 | C7 | C11 | C3 | 175.8° | 180.0° |
| C8 | C7 | C11 | O16 | 179.1° | 179.6° |
| C8 | C7 | C3 | C4 | 52.9° | 43.7° |
| C8 | C7 | C3 | N2 | 132.0° | 135.9° |
| C7 | C8 | C9 | H17 | 175.3° | 179.9° |
| C7 | C11 | O16 | C15 | 160.1° | 163.1° |
| C11 | C7 | C3 | C4 | 123.0° | 136.3° |
| C11 | C7 | C3 | N2 | 52.1° | 44.1° |
| C11 | C7 | C8 | H18 | 177.0° | 180.0° |
| O16 | C11 | C7 | C3 | 5.1° | 0.5° |
| C11 | O16 | C15 | C17 | 170.7° | 165.9° |
| C11 | O16 | C15 | H13 | 69.7° | 73.5° |
| C7 | C3 | C4 | N2 | 175.2° | 179.6° |
| C7 | C3 | C4 | C5 | 179.3° | 180.0° |
| C7 | C3 | N2 | C1 | 178.2° | 180.0° |
| C3 | C7 | C8 | H18 | 1.1° | 0.0° |
| C7 | C3 | C4 | H19 | 0.7° | 0.1° |
| O16 | C15 | C17 | H13 | 120.3° | 120.5° |
| O16 | C15 | C17 | N18 | 86.4° | 62.5° |
| O16 | C15 | C17 | H11 | 152.5° | 57.5° |
| O16 | C15 | C17 | H12 | 34.8° | 177.5° |
| O16 | C15 | C14 | H14 | 179.8° | 60.0° |
| O16 | C15 | C14 | H15 | 58.2° | 179.4° |
| C15 | C17 | N18 | H11 | 121.1° | 120.0° |
| C15 | C17 | N18 | H12 | 121.1° | 120.0° |
| C15 | C17 | N18 | C19 | 125.5° | 175.1° |
| C15 | C17 | N18 | H10 | 54.4° | 5.0° |
| C15 | C17 | H11 | H12 | 116.4° | 120.0° |
| C17 | C15 | C14 | H14 | 61.1° | 59.7° |
| C17 | C15 | C14 | H15 | 60.5° | 60.9° |
| C3 | C4 | C5 | H19 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.2° | 0.1° |
| C4 | C3 | N2 | C1 | 3.1° | 0.3° |
| C3 | C4 | C5 | H20 | 176.8° | 180.0° |
| C5 | C4 | C3 | N2 | 4.1° | 0.4° |
| C4 | C5 | C6 | H20 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.4° | 0.3° |
| C4 | C5 | C6 | N24 | 178.7° | 179.9° |
| C3 | N2 | C1 | C6 | 1.6° | 0.0° |
| C3 | N2 | C1 | O22 | 178.2° | 179.9° |
| N2 | C3 | C4 | H19 | 175.9° | 179.7° |
| C17 | N18 | C19 | H10 | 180.0° | 179.9° |
| C17 | N18 | C19 | O20 | 2.4° | 5.2° |
| C17 | N18 | C19 | C21 | 170.1° | 175.2° |
| N18 | C17 | H11 | H12 | 116.4° | 120.0° |
| N18 | C17 | C15 | H13 | 33.9° | 58.0° |
| C5 | C6 | C1 | N2 | 0.8° | 0.3° |
| C5 | C6 | C1 | N24 | 177.8° | 179.7° |
| C5 | C6 | C1 | O22 | 179.1° | 179.8° |
| C5 | C6 | N24 | C25 | 8.4° | 7.8° |
| C6 | C5 | C4 | H19 | 176.8° | 180.0° |
| C5 | C6 | N24 | H24 | 171.6° | 172.1° |
| N2 | C1 | C6 | O22 | 179.8° | 180.0° |
| N2 | C1 | C6 | N24 | 178.5° | 180.0° |
| N2 | C1 | O22 | C23 | 11.3° | 5.2° |
| C34 | N32 | C33 | C31 | 131.1° | 123.9° |
| C34 | N32 | C31 | C27 | 55.4° | 170.0° |
| C34 | N32 | C31 | H29 | 64.6° | 50.0° |
| C34 | N32 | C31 | H30 | 175.4° | 70.0° |
| N32 | C34 | H32 | H33 | 120.0° | 120.0° |
| N32 | C34 | H32 | H34 | 120.0° | 120.0° |
| N32 | C34 | H33 | H34 | 120.0° | 120.0° |
| C34 | N32 | C33 | H35 | 180.0° | 176.1° |
| C34 | N32 | C33 | H36 | 60.0° | 56.1° |
| C34 | N32 | C33 | H37 | 60.0° | 63.9° |
| N18 | C19 | O20 | C21 | 173.1° | 179.6° |
| N18 | C19 | C21 | C35 | 2.3° | 178.0° |
| N18 | C19 | C21 | C39 | 136.8° | 62.4° |
| N18 | C19 | C21 | H1 | 113.1° | 57.8° |
| C19 | N18 | C17 | H11 | 113.3° | 55.1° |
| C19 | N18 | C17 | H12 | 4.4° | 64.9° |
| O20 | C19 | C21 | C35 | 170.2° | 1.6° |
| O20 | C19 | C21 | C39 | 50.8° | 117.9° |
| O20 | C19 | C21 | H1 | 59.4° | 121.8° |
| O20 | C19 | N18 | H10 | 177.6° | 174.9° |
| C1 | C6 | N24 | C25 | 174.3° | 171.9° |
| C6 | C1 | O22 | C23 | 168.6° | 174.9° |
| C1 | C6 | C5 | H20 | 178.6° | 179.7° |
| C1 | C6 | N24 | H24 | 5.8° | 8.3° |
| N24 | C6 | C1 | O22 | 1.3° | 0.1° |
| C6 | N24 | C25 | C30 | 46.4° | 141.6° |
| C6 | N24 | C25 | H24 | 180.0° | 179.9° |
| C6 | N24 | C25 | C26 | 127.6° | 38.8° |
| N24 | C6 | C5 | H20 | 1.3° | 0.0° |
| C30 | C29 | C28 | H26 | 180.0° | 179.9° |
| C29 | C30 | C25 | H25 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.7° | 0.0° |
| C29 | C30 | C25 | N24 | 174.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.1° | 0.3° |
| C30 | C29 | C28 | H27 | 179.3° | 180.0° |
| C28 | C29 | C30 | C25 | 0.2° | 0.0° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.9° | 0.3° |
| C29 | C28 | C27 | C31 | 175.0° | 180.0° |
| C28 | C29 | C30 | H25 | 179.8° | 179.9° |
| C1 | O22 | C23 | H21 | 180.0° | 175.4° |
| C1 | O22 | C23 | H22 | 60.0° | 55.3° |
| C1 | O22 | C23 | H23 | 60.0° | 64.6° |
| C19 | C21 | C35 | C39 | 140.5° | 119.8° |
| C19 | C21 | C35 | H1 | 110.8° | 120.2° |
| C19 | C21 | C39 | H1 | 110.3° | 120.2° |
| C19 | C21 | C35 | C36 | 167.6° | 176.8° |
| C19 | C21 | C39 | C38 | 172.8° | 176.8° |
| C19 | C21 | C39 | H2 | 67.0° | 63.3° |
| C19 | C21 | C39 | H3 | 52.6° | 56.9° |
| C19 | C21 | C35 | H8 | 71.9° | 56.9° |
| C19 | C21 | C35 | H9 | 47.2° | 63.3° |
| C21 | C19 | N18 | H10 | 9.9° | 4.8° |
| C30 | C25 | N24 | C26 | 174.0° | 179.6° |
| C30 | C25 | C26 | C27 | 0.1° | 0.6° |
| C30 | C25 | N24 | H24 | 133.6° | 38.3° |
| C25 | C30 | C29 | H26 | 179.8° | 179.9° |
| C30 | C25 | C26 | H28 | 179.9° | 179.7° |
| C33 | N32 | C31 | C27 | 177.0° | 66.1° |
| C33 | N32 | C31 | H29 | 63.0° | 173.9° |
| C33 | N32 | C31 | H30 | 57.0° | 53.9° |
| C33 | N32 | C34 | H32 | 180.0° | 56.0° |
| C33 | N32 | C34 | H33 | 60.0° | 176.1° |
| C33 | N32 | C34 | H34 | 60.0° | 64.0° |
| N32 | C33 | H35 | H36 | 120.0° | 120.0° |
| N32 | C33 | H35 | H37 | 120.0° | 120.0° |
| N32 | C33 | H36 | H37 | 120.0° | 120.0° |
| N32 | C31 | C27 | C28 | 59.2° | 90.0° |
| N32 | C31 | C27 | C26 | 114.6° | 89.7° |
| N32 | C31 | C27 | H29 | 120.0° | 120.0° |
| N32 | C31 | C27 | H30 | 120.0° | 120.0° |
| N32 | C31 | H29 | H30 | 119.9° | 120.0° |
| C31 | N32 | C34 | H32 | 50.4° | 180.0° |
| C31 | N32 | C34 | H33 | 170.4° | 60.0° |
| C31 | N32 | C34 | H34 | 69.6° | 60.0° |
| C31 | N32 | C33 | H35 | 48.9° | 60.0° |
| C31 | N32 | C33 | H36 | 71.1° | 180.0° |
| C31 | N32 | C33 | H37 | 168.9° | 60.0° |
| C28 | C27 | C26 | C25 | 0.6° | 0.6° |
| C28 | C27 | C26 | C31 | 173.6° | 179.7° |
| C27 | C28 | C29 | H26 | 179.3° | 179.9° |
| C28 | C27 | C26 | H28 | 179.4° | 179.7° |
| C28 | C27 | C31 | H29 | 179.2° | 150.0° |
| C28 | C27 | C31 | H30 | 60.8° | 30.0° |
| N24 | C25 | C26 | C27 | 174.4° | 179.8° |
| N24 | C25 | C30 | H25 | 5.9° | 0.1° |
| N24 | C25 | C26 | H28 | 5.6° | 0.1° |
| C25 | C26 | C27 | H28 | 180.0° | 179.7° |
| C25 | C26 | C27 | C31 | 174.2° | 179.7° |
| C26 | C25 | N24 | H24 | 52.4° | 141.4° |
| C26 | C25 | C30 | H25 | 179.9° | 179.8° |
| C26 | C27 | C28 | H27 | 179.1° | 179.7° |
| C26 | C27 | C31 | H29 | 5.4° | 30.3° |
| C26 | C27 | C31 | H30 | 125.4° | 150.3° |
| C31 | C27 | C28 | H27 | 5.0° | 0.0° |
| C31 | C27 | C26 | H28 | 5.8° | 0.0° |
| C27 | C31 | H29 | H30 | 119.9° | 120.0° |
| O22 | C23 | H21 | H22 | 120.0° | 120.0° |
| O22 | C23 | H21 | H23 | 120.0° | 119.9° |
| O22 | C23 | H22 | H23 | 120.0° | 119.9° |
| C35 | C21 | C39 | H1 | 108.9° | 119.9° |
| C21 | C35 | C36 | H8 | 120.4° | 119.8° |
| C21 | C35 | C36 | H9 | 120.4° | 119.9° |
| C35 | C21 | C39 | C38 | 31.9° | 57.0° |
| C21 | C35 | C36 | O37 | 9.6° | 57.6° |
| C35 | C21 | C39 | H2 | 152.1° | 176.9° |
| C35 | C21 | C39 | H3 | 88.3° | 62.9° |
| C21 | C35 | C36 | H6 | 129.7° | 62.4° |
| C21 | C35 | C36 | H7 | 110.5° | 177.6° |
| C21 | C35 | H8 | H9 | 118.6° | 120.1° |
| C39 | C21 | C35 | C36 | 51.9° | 57.0° |
| C21 | C39 | C38 | H2 | 120.2° | 119.9° |
| C21 | C39 | C38 | H3 | 120.2° | 119.9° |
| C21 | C39 | C38 | O37 | 27.4° | 57.6° |
| C21 | C39 | H2 | H3 | 119.5° | 120.2° |
| C21 | C39 | C38 | H4 | 147.2° | 62.4° |
| C21 | C39 | C38 | H5 | 92.5° | 177.6° |
| C39 | C21 | C35 | H8 | 68.5° | 62.9° |
| C39 | C21 | C35 | H9 | 172.4° | 176.9° |
| C35 | C36 | O37 | H6 | 120.1° | 120.0° |
| C35 | C36 | O37 | H7 | 120.1° | 120.0° |
| C35 | C36 | O37 | C38 | 53.3° | 61.2° |
| C36 | C35 | C21 | H1 | 56.8° | 63.0° |
| C35 | C36 | H6 | H7 | 119.8° | 120.0° |
| C36 | C35 | H8 | H9 | 118.6° | 120.2° |
| C39 | C38 | O37 | C36 | 74.4° | 61.1° |
| C39 | C38 | O37 | H4 | 119.9° | 119.9° |
| C39 | C38 | O37 | H5 | 119.9° | 119.9° |
| C38 | C39 | C21 | H1 | 76.9° | 63.0° |
| C38 | C39 | H2 | H3 | 119.5° | 120.2° |
| C39 | C38 | H4 | H5 | 120.4° | 120.0° |
| C36 | O37 | C38 | H4 | 165.8° | 58.8° |
| C36 | O37 | C38 | H5 | 45.5° | 178.9° |
| O37 | C36 | H6 | H7 | 119.8° | 120.0° |
| O37 | C36 | C35 | H8 | 110.8° | 62.2° |
| O37 | C36 | C35 | H9 | 130.1° | 177.5° |
| O37 | C38 | C39 | H2 | 92.8° | 177.5° |
| O37 | C38 | C39 | H3 | 147.5° | 62.3° |
| O37 | C38 | H4 | H5 | 120.4° | 120.1° |
| C38 | O37 | C36 | H6 | 66.8° | 58.9° |
| C38 | O37 | C36 | H7 | 173.4° | 178.8° |
| H1 | C21 | C39 | H2 | 43.3° | 56.9° |
| H1 | C21 | C39 | H3 | 162.9° | 177.1° |
| H1 | C21 | C35 | H8 | 177.2° | 177.1° |
| H1 | C21 | C35 | H9 | 63.7° | 56.9° |
| H2 | C39 | C38 | H4 | 27.0° | 57.5° |
| H2 | C39 | C38 | H5 | 147.3° | 62.5° |
| H3 | C39 | C38 | H4 | 92.6° | 177.7° |
| H3 | C39 | C38 | H5 | 27.7° | 57.7° |
| H6 | C36 | C35 | H8 | 9.3° | 177.7° |
| H6 | C36 | C35 | H9 | 109.8° | 57.5° |
| H7 | C36 | C35 | H8 | 129.1° | 57.8° |
| H7 | C36 | C35 | H9 | 10.0° | 62.5° |
| H10 | N18 | C17 | H11 | 66.7° | 125.0° |
| H10 | N18 | C17 | H12 | 175.6° | 115.0° |
| H11 | C17 | C15 | H13 | 87.2° | 178.1° |
| H12 | C17 | C15 | H13 | 155.1° | 62.0° |
| H13 | C15 | C14 | H14 | 58.9° | 179.7° |
| H13 | C15 | C14 | H15 | 179.6° | 59.8° |
| H16 | C10 | C9 | H17 | 4.9° | 0.1° |
| H17 | C9 | C8 | H18 | 4.6° | 0.1° |
| H19 | C4 | C5 | H20 | 3.2° | 0.0° |
| H21 | C23 | H22 | H23 | 120.0° | 120.1° |
| H25 | C30 | C29 | H26 | 0.2° | 0.0° |
| H26 | C29 | C28 | H27 | 0.7° | 0.0° |
| H32 | C34 | H33 | H34 | 119.9° | 120.0° |
| H35 | C33 | H36 | H37 | 120.0° | 120.0° |
