EEU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C34 | doub | 1.21Å | 1.28Å | |
| O5 | C34 | sing | 1.34Å | 1.46Å | |
| O10 | C35 | doub | 1.21Å | 1.28Å | |
| C34 | C30 | sing | 1.51Å | 1.52Å | |
| C35 | O6 | sing | 1.34Å | 1.43Å | |
| C35 | C31 | sing | 1.51Å | 1.53Å | |
| O4 | C33 | doub | 1.21Å | 1.43Å | |
| C30 | N3 | sing | 1.47Å | 1.46Å | |
| C33 | O8 | sing | 1.34Å | 1.27Å | |
| C33 | C29 | sing | 1.51Å | 1.50Å | |
| C31 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C27 | sing | 1.47Å | 1.44Å | |
| C29 | N2 | sing | 1.47Å | 1.46Å | |
| O3 | C32 | doub | 1.21Å | 1.44Å | |
| C27 | C25 | sing | 1.51Å | 1.51Å | |
| N2 | C28 | sing | 1.47Å | 1.48Å | |
| N2 | C26 | sing | 1.47Å | 1.42Å | |
| N1 | C25 | doub | 1.32Å | 1.43Å | Aromatic |
| N1 | C24 | sing | 1.32Å | 1.37Å | Aromatic |
| C28 | C32 | sing | 1.51Å | 1.55Å | |
| C32 | O7 | sing | 1.34Å | 1.27Å | |
| C25 | C23 | sing | 1.38Å | 1.45Å | Aromatic |
| C26 | C24 | sing | 1.51Å | 1.49Å | |
| C24 | C22 | doub | 1.38Å | 1.33Å | Aromatic |
| C23 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.33Å | Aromatic |
| C21 | C1 | sing | 1.43Å | 1.55Å | |
| C1 | C2 | trip | 1.17Å | 1.24Å | |
| C2 | C3 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.55Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.55Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C10 | sing | 1.56Å | 1.49Å | |
| C3 | O1 | sing | 1.43Å | 1.41Å | |
| C3 | C10 | sing | 1.52Å | 1.49Å | |
| C9 | C17 | sing | 1.51Å | 1.49Å | |
| C7 | C14 | sing | 1.53Å | 1.51Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.50Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C15 | doub | 1.38Å | 1.46Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | O2 | sing | 1.36Å | 1.34Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| O5 | H32 | sing | 0.97Å | 0.95Å | |
| O6 | H33 | sing | 0.97Å | 0.95Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| O7 | H42 | sing | 0.97Å | 0.95Å | |
| O8 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C34 | O5 | 118.5° | 120.0° |
| O9 | C34 | C30 | 117.0° | 120.0° |
| O5 | C34 | C30 | 117.9° | 120.0° |
| C34 | O5 | H32 | 109.5° | 117.0° |
| O10 | C35 | O6 | 116.0° | 120.0° |
| O10 | C35 | C31 | 117.6° | 120.0° |
| C34 | C30 | N3 | 114.4° | 109.5° |
| C34 | C30 | H38 | 107.9° | 109.5° |
| C34 | C30 | H39 | 106.8° | 109.5° |
| O6 | C35 | C31 | 121.6° | 120.0° |
| C35 | O6 | H33 | 109.5° | 117.0° |
| C35 | C31 | N3 | 117.5° | 109.5° |
| C35 | C31 | H40 | 106.9° | 109.4° |
| C35 | C31 | H41 | 105.0° | 109.5° |
| O4 | C33 | O8 | 120.0° | 120.0° |
| O4 | C33 | C29 | 117.8° | 120.0° |
| C30 | N3 | C31 | 110.7° | 111.0° |
| C30 | N3 | C27 | 105.0° | 111.0° |
| N3 | C30 | H38 | 107.9° | 109.5° |
| N3 | C30 | H39 | 106.7° | 109.5° |
| O8 | C33 | C29 | 116.1° | 120.0° |
| C33 | O8 | H43 | 109.5° | 117.0° |
| C33 | C29 | N2 | 107.3° | 109.5° |
| C33 | C29 | H36 | 110.2° | 109.5° |
| C33 | C29 | H37 | 110.7° | 109.5° |
| C31 | N3 | C27 | 107.0° | 111.0° |
| N3 | C31 | H40 | 106.9° | 109.5° |
| N3 | C31 | H41 | 105.0° | 109.5° |
| N3 | C27 | C25 | 109.0° | 109.5° |
| N3 | C27 | H28 | 109.6° | 109.5° |
| N3 | C27 | H29 | 109.7° | 109.4° |
| C29 | N2 | C28 | 116.8° | 111.0° |
| C29 | N2 | C26 | 104.4° | 111.0° |
| N2 | C29 | H36 | 110.2° | 109.5° |
| N2 | C29 | H37 | 110.7° | 109.5° |
| O3 | C32 | C28 | 119.9° | 120.0° |
| O3 | C32 | O7 | 113.4° | 120.0° |
| C27 | C25 | N1 | 116.1° | 119.5° |
| C27 | C25 | C23 | 116.6° | 119.5° |
| C25 | C27 | H28 | 109.7° | 109.5° |
| C25 | C27 | H29 | 109.8° | 109.5° |
| C28 | N2 | C26 | 107.9° | 111.0° |
| N2 | C28 | C32 | 116.5° | 109.5° |
| N2 | C28 | H34 | 107.2° | 109.5° |
| N2 | C28 | H35 | 105.6° | 109.5° |
| N2 | C26 | C24 | 105.7° | 109.4° |
| N2 | C26 | H26 | 110.7° | 109.5° |
| N2 | C26 | H27 | 111.6° | 109.5° |
| C25 | N1 | C24 | 120.6° | 122.0° |
| N1 | C25 | C23 | 127.3° | 120.9° |
| N1 | C24 | C26 | 126.9° | 119.5° |
| N1 | C24 | C22 | 106.2° | 120.9° |
| C28 | C32 | O7 | 116.1° | 120.0° |
| C32 | C28 | H34 | 107.2° | 109.5° |
| C32 | C28 | H35 | 105.6° | 109.4° |
| C32 | O7 | H42 | 109.5° | 117.0° |
| C25 | C23 | C21 | 108.6° | 119.0° |
| C25 | C23 | H25 | 125.7° | 120.5° |
| C26 | C24 | C22 | 126.8° | 119.6° |
| C24 | C26 | H26 | 110.8° | 109.5° |
| C24 | C26 | H27 | 111.5° | 109.4° |
| C24 | C22 | C21 | 140.1° | 119.0° |
| C24 | C22 | H24 | 110.0° | 120.5° |
| C23 | C21 | C22 | 117.2° | 118.2° |
| C23 | C21 | C1 | 96.8° | 121.0° |
| C21 | C23 | H25 | 125.7° | 120.5° |
| C22 | C21 | C1 | 146.0° | 120.9° |
| C21 | C22 | H24 | 109.9° | 120.5° |
| C21 | C1 | C2 | 169.2° | 179.9° |
| C1 | C2 | C3 | 173.6° | 180.0° |
| C2 | C3 | C4 | 103.6° | 110.3° |
| C2 | C3 | O1 | 113.0° | 110.2° |
| C2 | C3 | C10 | 112.9° | 110.3° |
| C4 | C5 | C6 | 104.9° | 103.0° |
| C5 | C4 | C3 | 105.4° | 106.4° |
| C5 | C4 | H2 | 110.8° | 110.1° |
| C5 | C4 | H3 | 111.7° | 110.1° |
| C4 | C5 | H4 | 111.0° | 110.8° |
| C4 | C5 | H5 | 112.0° | 110.8° |
| C5 | C6 | C7 | 117.1° | 116.1° |
| C5 | C6 | C10 | 105.5° | 101.5° |
| C6 | C5 | H4 | 111.0° | 110.6° |
| C6 | C5 | H5 | 112.0° | 110.7° |
| C5 | C6 | H6 | 108.0° | 110.5° |
| C4 | C3 | O1 | 111.9° | 110.3° |
| C4 | C3 | C10 | 102.8° | 105.4° |
| C3 | C4 | H2 | 110.9° | 110.1° |
| C3 | C4 | H3 | 111.7° | 110.0° |
| C9 | C8 | C7 | 115.9° | 108.2° |
| C8 | C9 | C17 | 113.7° | 111.3° |
| C9 | C8 | H8 | 107.4° | 109.7° |
| C9 | C8 | H9 | 105.9° | 109.7° |
| C8 | C9 | H10 | 108.1° | 109.1° |
| C8 | C9 | H11 | 107.1° | 109.1° |
| C8 | C7 | C6 | 110.1° | 111.8° |
| C8 | C7 | C14 | 111.6° | 107.9° |
| C8 | C7 | H7 | 105.7° | 110.5° |
| C7 | C8 | H8 | 107.4° | 109.7° |
| C7 | C8 | H9 | 105.9° | 109.7° |
| C7 | C6 | C10 | 112.0° | 106.4° |
| C6 | C7 | C14 | 102.7° | 107.1° |
| C7 | C6 | H6 | 100.9° | 110.5° |
| C6 | C7 | H7 | 114.1° | 109.8° |
| C6 | C10 | C3 | 101.9° | 103.2° |
| C6 | C10 | C12 | 110.2° | 108.1° |
| C6 | C10 | C11 | 110.4° | 109.6° |
| C10 | C6 | H6 | 113.5° | 111.5° |
| O1 | C3 | C10 | 111.9° | 110.3° |
| C3 | O1 | H1 | 109.5° | 114.1° |
| C3 | C10 | C12 | 117.4° | 116.9° |
| C3 | C10 | C11 | 105.2° | 109.6° |
| C9 | C17 | C15 | 121.7° | 122.8° |
| C9 | C17 | C18 | 120.4° | 117.6° |
| C17 | C9 | H10 | 108.1° | 109.1° |
| C17 | C9 | H11 | 107.1° | 109.1° |
| C7 | C14 | C15 | 111.9° | 110.2° |
| C7 | C14 | C13 | 114.0° | 111.5° |
| C14 | C7 | H7 | 112.8° | 109.8° |
| C7 | C14 | H19 | 106.5° | 107.9° |
| C12 | C10 | C11 | 111.3° | 109.2° |
| C10 | C12 | C13 | 108.1° | 107.7° |
| C10 | C12 | H15 | 109.9° | 109.8° |
| C10 | C12 | H16 | 110.2° | 109.8° |
| C10 | C11 | H12 | 109.5° | 109.4° |
| C10 | C11 | H13 | 109.5° | 109.4° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C15 | C14 | C13 | 114.8° | 111.9° |
| C14 | C15 | C17 | 121.6° | 121.9° |
| C14 | C15 | C16 | 119.3° | 118.3° |
| C15 | C14 | H19 | 105.4° | 107.9° |
| C14 | C13 | C12 | 110.7° | 110.5° |
| C14 | C13 | H17 | 109.1° | 109.2° |
| C14 | C13 | H18 | 108.8° | 109.3° |
| C13 | C14 | H19 | 103.0° | 107.3° |
| C15 | C17 | C18 | 117.9° | 119.5° |
| C17 | C15 | C16 | 119.0° | 119.8° |
| C17 | C18 | C19 | 120.8° | 120.6° |
| C17 | C18 | H21 | 119.6° | 119.7° |
| C13 | C12 | H15 | 109.9° | 109.8° |
| C13 | C12 | H16 | 110.3° | 109.9° |
| C12 | C13 | H17 | 109.0° | 109.2° |
| C12 | C13 | H18 | 108.8° | 109.2° |
| C15 | C16 | C20 | 121.7° | 120.6° |
| C15 | C16 | H20 | 119.1° | 119.7° |
| C18 | C19 | C20 | 120.2° | 119.7° |
| C18 | C19 | O2 | 119.7° | 120.2° |
| C19 | C18 | H21 | 119.6° | 119.7° |
| C16 | C20 | C19 | 120.2° | 119.7° |
| C20 | C16 | H20 | 119.2° | 119.7° |
| C16 | C20 | H23 | 119.9° | 120.1° |
| C20 | C19 | O2 | 120.1° | 120.2° |
| C19 | C20 | H23 | 119.9° | 120.2° |
| C19 | O2 | H22 | 109.5° | 114.0° |
| H2 | C4 | H3 | 106.4° | 110.0° |
| H4 | C5 | H5 | 106.1° | 110.7° |
| H8 | C8 | H9 | 114.7° | 109.8° |
| H10 | C9 | H11 | 112.9° | 109.1° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 108.4° | 109.8° |
| H17 | C13 | H18 | 110.5° | 109.3° |
| H26 | C26 | H27 | 106.6° | 109.5° |
| H28 | C27 | H29 | 109.1° | 109.5° |
| H34 | C28 | H35 | 115.1° | 109.5° |
| H36 | C29 | H37 | 107.8° | 109.5° |
| H38 | C30 | H39 | 113.4° | 109.4° |
| H40 | C31 | H41 | 116.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C34 | O5 | C30 | 150.6° | 180.0° |
| O9 | C34 | C30 | N3 | 175.5° | 0.0° |
| O9 | C34 | O5 | H32 | 0.0° | 0.0° |
| O9 | C34 | C30 | H38 | 55.5° | 120.0° |
| O9 | C34 | C30 | H39 | 66.7° | 120.0° |
| O5 | C34 | C30 | N3 | 24.4° | 180.0° |
| O5 | C34 | C30 | H38 | 95.5° | 60.0° |
| O5 | C34 | C30 | H39 | 142.3° | 60.0° |
| O10 | C35 | O6 | C31 | 154.7° | 180.0° |
| O10 | C35 | C31 | N3 | 153.5° | 2.0° |
| O10 | C35 | O6 | H33 | 0.0° | 0.1° |
| O10 | C35 | C31 | H40 | 86.5° | 118.0° |
| O10 | C35 | C31 | H41 | 37.3° | 122.0° |
| C34 | C30 | N3 | H38 | 120.0° | 120.0° |
| C34 | C30 | N3 | H39 | 117.8° | 120.0° |
| C34 | C30 | N3 | C31 | 107.7° | 66.0° |
| C34 | C30 | N3 | C27 | 137.1° | 170.0° |
| C30 | C34 | O5 | H32 | 150.6° | 180.0° |
| C34 | C30 | H38 | H39 | 118.0° | 120.0° |
| O6 | C35 | C31 | N3 | 52.1° | 178.0° |
| O6 | C35 | C31 | H40 | 67.9° | 62.0° |
| O6 | C35 | C31 | H41 | 168.3° | 58.0° |
| C35 | C31 | N3 | C30 | 86.2° | 60.9° |
| C35 | C31 | N3 | H40 | 120.0° | 120.0° |
| C35 | C31 | N3 | H41 | 116.2° | 120.0° |
| C35 | C31 | N3 | C27 | 159.9° | 63.1° |
| C31 | C35 | O6 | H33 | 154.7° | 180.0° |
| C35 | C31 | H40 | H41 | 116.7° | 120.0° |
| O4 | C33 | O8 | C29 | 152.0° | 180.0° |
| O4 | C33 | C29 | N2 | 33.6° | 3.5° |
| O4 | C33 | C29 | H36 | 153.6° | 116.5° |
| O4 | C33 | C29 | H37 | 87.3° | 123.4° |
| O4 | C33 | O8 | H43 | 0.0° | 0.0° |
| C30 | N3 | C31 | C27 | 113.9° | 124.0° |
| C30 | N3 | C27 | C25 | 168.9° | 164.3° |
| C30 | N3 | C27 | H28 | 71.1° | 44.3° |
| C30 | N3 | C27 | H29 | 48.7° | 75.7° |
| N3 | C30 | H38 | H39 | 118.0° | 120.0° |
| C30 | N3 | C31 | H40 | 153.8° | 179.1° |
| C30 | N3 | C31 | H41 | 30.0° | 59.1° |
| O8 | C33 | C29 | N2 | 119.1° | 176.5° |
| O8 | C33 | C29 | H36 | 0.9° | 63.5° |
| O8 | C33 | C29 | H37 | 120.1° | 56.5° |
| C33 | C29 | N2 | H36 | 120.0° | 120.0° |
| C33 | C29 | N2 | H37 | 120.8° | 120.0° |
| C33 | C29 | N2 | C28 | 50.3° | 60.6° |
| C33 | C29 | N2 | C26 | 169.3° | 63.4° |
| C33 | C29 | H36 | H37 | 120.9° | 120.0° |
| C29 | C33 | O8 | H43 | 152.0° | 180.0° |
| C31 | N3 | C27 | C25 | 73.4° | 71.7° |
| C31 | N3 | C27 | H28 | 46.6° | 168.3° |
| C31 | N3 | C27 | H29 | 166.4° | 48.3° |
| C31 | N3 | C30 | H38 | 12.2° | 173.9° |
| C31 | N3 | C30 | H39 | 134.4° | 54.0° |
| N3 | C31 | H40 | H41 | 116.7° | 120.0° |
| N3 | C27 | C25 | H28 | 120.0° | 120.0° |
| N3 | C27 | C25 | H29 | 120.2° | 120.0° |
| N3 | C27 | C25 | N1 | 26.0° | 85.1° |
| N3 | C27 | C25 | C23 | 154.3° | 95.0° |
| N3 | C27 | H28 | H29 | 120.2° | 120.0° |
| C27 | N3 | C30 | H38 | 102.9° | 50.0° |
| C27 | N3 | C30 | H39 | 19.3° | 70.0° |
| C27 | N3 | C31 | H40 | 39.9° | 56.9° |
| C27 | N3 | C31 | H41 | 83.9° | 176.9° |
| C29 | N2 | C28 | C26 | 117.1° | 124.0° |
| C29 | N2 | C28 | C32 | 142.1° | 66.0° |
| C29 | N2 | C26 | C24 | 140.8° | 61.6° |
| C29 | N2 | C26 | H26 | 99.2° | 178.3° |
| C29 | N2 | C26 | H27 | 19.4° | 58.3° |
| C29 | N2 | C28 | H34 | 22.1° | 174.0° |
| C29 | N2 | C28 | H35 | 101.1° | 53.9° |
| N2 | C29 | H36 | H37 | 120.9° | 120.0° |
| O3 | C32 | C28 | N2 | 51.2° | 0.0° |
| O3 | C32 | C28 | O7 | 142.3° | 180.0° |
| O3 | C32 | C28 | H34 | 68.8° | 120.0° |
| O3 | C32 | C28 | H35 | 168.0° | 120.0° |
| O3 | C32 | O7 | H42 | 0.0° | 0.1° |
| C27 | C25 | N1 | C23 | 179.7° | 180.0° |
| C27 | C25 | N1 | C24 | 179.7° | 179.6° |
| C27 | C25 | C23 | C21 | 179.8° | 180.0° |
| C27 | C25 | C23 | H25 | 0.2° | 0.0° |
| C25 | C27 | H28 | H29 | 120.2° | 120.0° |
| N2 | C28 | C32 | H34 | 120.0° | 120.0° |
| N2 | C28 | C32 | H35 | 116.8° | 120.0° |
| N2 | C28 | C32 | O7 | 166.5° | 180.0° |
| C28 | N2 | C26 | C24 | 94.3° | 174.4° |
| C28 | N2 | C26 | H26 | 25.7° | 54.3° |
| C28 | N2 | C26 | H27 | 144.3° | 65.7° |
| N2 | C28 | H34 | H35 | 117.1° | 120.0° |
| C28 | N2 | C29 | H36 | 69.8° | 179.4° |
| C28 | N2 | C29 | H37 | 171.1° | 59.4° |
| N2 | C26 | C24 | N1 | 17.1° | 84.8° |
| C26 | N2 | C28 | C32 | 100.8° | 170.0° |
| N2 | C26 | C24 | H26 | 120.0° | 120.0° |
| N2 | C26 | C24 | H27 | 121.5° | 119.9° |
| N2 | C26 | C24 | C22 | 163.2° | 95.3° |
| N2 | C26 | H26 | H27 | 121.5° | 120.0° |
| C26 | N2 | C28 | H34 | 139.2° | 50.0° |
| C26 | N2 | C28 | H35 | 16.0° | 70.1° |
| C26 | N2 | C29 | H36 | 49.2° | 56.6° |
| C26 | N2 | C29 | H37 | 69.9° | 176.7° |
| C25 | N1 | C24 | C26 | 179.8° | 179.7° |
| C25 | N1 | C24 | C22 | 0.0° | 0.4° |
| N1 | C25 | C23 | C21 | 0.1° | 0.0° |
| N1 | C25 | C23 | H25 | 179.9° | 180.0° |
| N1 | C25 | C27 | H28 | 146.0° | 34.9° |
| N1 | C25 | C27 | H29 | 94.2° | 155.0° |
| C24 | N1 | C25 | C23 | 0.1° | 0.3° |
| N1 | C24 | C26 | C22 | 179.7° | 179.9° |
| N1 | C24 | C22 | C21 | 0.2° | 0.1° |
| N1 | C24 | C22 | H24 | 179.8° | 180.0° |
| N1 | C24 | C26 | H26 | 137.0° | 35.2° |
| N1 | C24 | C26 | H27 | 104.4° | 155.3° |
| C32 | C28 | H34 | H35 | 117.1° | 120.0° |
| C28 | C32 | O7 | H42 | 144.7° | 180.0° |
| O7 | C32 | C28 | H34 | 73.5° | 60.0° |
| O7 | C32 | C28 | H35 | 49.7° | 60.0° |
| C25 | C23 | C21 | H25 | 180.0° | 179.9° |
| C25 | C23 | C21 | C22 | 0.0° | 0.2° |
| C25 | C23 | C21 | C1 | 179.7° | 180.0° |
| C23 | C25 | C27 | H28 | 34.3° | 145.0° |
| C23 | C25 | C27 | H29 | 85.5° | 25.0° |
| C26 | C24 | C22 | C21 | 179.9° | 180.0° |
| C26 | C24 | C22 | H24 | 0.0° | 0.1° |
| C24 | C26 | H26 | H27 | 121.5° | 120.0° |
| C24 | C22 | C21 | C23 | 0.1° | 0.2° |
| C24 | C22 | C21 | H24 | 180.0° | 179.9° |
| C24 | C22 | C21 | C1 | 179.2° | 179.9° |
| C22 | C24 | C26 | H26 | 43.2° | 144.6° |
| C22 | C24 | C26 | H27 | 75.3° | 24.6° |
| C23 | C21 | C22 | C1 | 179.4° | 179.7° |
| C23 | C21 | C1 | C2 | 109.2° | 5.9° |
| C23 | C21 | C22 | H24 | 179.9° | 179.7° |
| C22 | C21 | C1 | C2 | 70.2° | 173.9° |
| C22 | C21 | C23 | H25 | 180.0° | 179.7° |
| C21 | C1 | C2 | C3 | 150.1° | 173.5° |
| C1 | C21 | C22 | H24 | 0.8° | 0.0° |
| C1 | C21 | C23 | H25 | 0.4° | 0.0° |
| C1 | C2 | C3 | C4 | 54.4° | 58.3° |
| C1 | C2 | C3 | O1 | 175.7° | 179.7° |
| C1 | C2 | C3 | C10 | 56.1° | 57.6° |
| C2 | C3 | C4 | C5 | 85.7° | 115.6° |
| C2 | C3 | C4 | O1 | 122.0° | 121.9° |
| C2 | C3 | C4 | C10 | 117.7° | 119.0° |
| C2 | C3 | C10 | C6 | 67.2° | 89.7° |
| C2 | C3 | O1 | C10 | 128.7° | 122.0° |
| C2 | C3 | C10 | C12 | 53.1° | 28.8° |
| C2 | C3 | C10 | C11 | 177.5° | 153.6° |
| C2 | C3 | O1 | H1 | 156.8° | 59.3° |
| C2 | C3 | C4 | H2 | 154.3° | 3.7° |
| C2 | C3 | C4 | H3 | 35.8° | 125.2° |
| C4 | C5 | C6 | H4 | 120.0° | 118.4° |
| C4 | C5 | C6 | H5 | 121.7° | 118.4° |
| C5 | C4 | C3 | H2 | 120.0° | 119.3° |
| C5 | C4 | C3 | H3 | 121.5° | 119.2° |
| C4 | C5 | C6 | C7 | 144.8° | 156.5° |
| C4 | C5 | C6 | C10 | 19.4° | 41.7° |
| C5 | C4 | C3 | O1 | 152.3° | 122.5° |
| C5 | C4 | C3 | C10 | 32.0° | 3.5° |
| C5 | C4 | H2 | H3 | 121.7° | 121.5° |
| C4 | C5 | H4 | H5 | 121.8° | 123.3° |
| C4 | C5 | C6 | H6 | 102.3° | 76.7° |
| C6 | C5 | C4 | C3 | 7.8° | 24.1° |
| C5 | C6 | C7 | C8 | 54.8° | 64.8° |
| C5 | C6 | C7 | C10 | 122.1° | 112.1° |
| C5 | C6 | C7 | H6 | 116.8° | 126.8° |
| C5 | C6 | C10 | H6 | 118.0° | 117.7° |
| C5 | C6 | C10 | C3 | 39.4° | 44.4° |
| C5 | C6 | C7 | C14 | 173.7° | 177.3° |
| C5 | C6 | C10 | C12 | 164.7° | 168.9° |
| C5 | C6 | C10 | C11 | 71.9° | 72.3° |
| C6 | C5 | C4 | H2 | 112.2° | 95.2° |
| C6 | C5 | C4 | H3 | 129.4° | 143.3° |
| C6 | C5 | H4 | H5 | 121.9° | 123.1° |
| C5 | C6 | C7 | H7 | 63.9° | 58.2° |
| C4 | C3 | C10 | C6 | 43.7° | 29.3° |
| C4 | C3 | O1 | C10 | 114.8° | 116.0° |
| C4 | C3 | C10 | C12 | 164.1° | 147.8° |
| C4 | C3 | C10 | C11 | 71.5° | 87.4° |
| C4 | C3 | O1 | H1 | 86.7° | 62.7° |
| C3 | C4 | H2 | H3 | 121.6° | 121.5° |
| C3 | C4 | C5 | H4 | 112.2° | 142.4° |
| C3 | C4 | C5 | H5 | 129.5° | 94.3° |
| C9 | C8 | C7 | H8 | 120.0° | 119.6° |
| C9 | C8 | C7 | H9 | 117.0° | 119.6° |
| C9 | C8 | C7 | C6 | 169.0° | 172.3° |
| C8 | C9 | C17 | H10 | 120.0° | 120.5° |
| C8 | C9 | C17 | H11 | 118.1° | 120.4° |
| C9 | C8 | C7 | C14 | 55.6° | 70.2° |
| C8 | C9 | C17 | C15 | 4.0° | 14.9° |
| C8 | C9 | C17 | C18 | 176.6° | 165.2° |
| C9 | C8 | C7 | H7 | 67.3° | 49.8° |
| C9 | C8 | H8 | H9 | 117.3° | 120.6° |
| C8 | C9 | H10 | H11 | 118.3° | 119.0° |
| C8 | C7 | C6 | C14 | 118.9° | 117.9° |
| C8 | C7 | C6 | H7 | 118.7° | 123.0° |
| C8 | C7 | C6 | C10 | 176.8° | 176.9° |
| C7 | C8 | C9 | C17 | 31.2° | 48.6° |
| C8 | C7 | C14 | H7 | 118.8° | 120.4° |
| C8 | C7 | C14 | C15 | 50.0° | 54.6° |
| C8 | C7 | C14 | C13 | 177.6° | 179.4° |
| C8 | C7 | C6 | H6 | 62.1° | 62.0° |
| C7 | C8 | H8 | H9 | 117.4° | 120.7° |
| C7 | C8 | C9 | H10 | 151.2° | 169.1° |
| C7 | C8 | C9 | H11 | 86.9° | 71.8° |
| C8 | C7 | C14 | H19 | 64.8° | 63.0° |
| C7 | C6 | C10 | H6 | 113.5° | 120.5° |
| C7 | C6 | C10 | C3 | 167.9° | 166.3° |
| C6 | C7 | C14 | H7 | 123.3° | 119.1° |
| C7 | C6 | C10 | C12 | 66.8° | 69.3° |
| C7 | C6 | C10 | C11 | 56.6° | 49.6° |
| C6 | C7 | C14 | C15 | 167.9° | 175.1° |
| C6 | C7 | C14 | C13 | 59.7° | 60.1° |
| C7 | C6 | C5 | H4 | 95.2° | 85.1° |
| C7 | C6 | C5 | H5 | 23.1° | 38.1° |
| C6 | C7 | C8 | H8 | 71.0° | 68.0° |
| C6 | C7 | C8 | H9 | 51.9° | 52.7° |
| C6 | C7 | C14 | H19 | 53.1° | 57.5° |
| C6 | C10 | C3 | O1 | 164.0° | 148.3° |
| C6 | C10 | C3 | C12 | 120.4° | 118.5° |
| C6 | C10 | C3 | C11 | 115.2° | 116.7° |
| C10 | C6 | C7 | C14 | 64.2° | 65.2° |
| C6 | C10 | C12 | C11 | 122.8° | 119.2° |
| C6 | C10 | C12 | C13 | 56.8° | 63.7° |
| C10 | C6 | C5 | H4 | 139.4° | 160.1° |
| C10 | C6 | C5 | H5 | 102.3° | 76.8° |
| C10 | C6 | C7 | H7 | 58.2° | 53.9° |
| C6 | C10 | C11 | H12 | 69.5° | 174.1° |
| C6 | C10 | C11 | H13 | 170.5° | 66.0° |
| C6 | C10 | C11 | H14 | 50.5° | 54.0° |
| C6 | C10 | C12 | H15 | 176.8° | 176.8° |
| C6 | C10 | C12 | H16 | 63.7° | 55.9° |
| O1 | C3 | C10 | C12 | 75.7° | 93.2° |
| O1 | C3 | C10 | C11 | 48.7° | 31.6° |
| O1 | C3 | C4 | H2 | 32.3° | 118.2° |
| O1 | C3 | C4 | H3 | 86.2° | 3.3° |
| C3 | C10 | C12 | C11 | 121.3° | 125.0° |
| C3 | C10 | C12 | C13 | 172.7° | 179.5° |
| C10 | C3 | O1 | H1 | 28.1° | 178.6° |
| C10 | C3 | C4 | H2 | 88.0° | 122.7° |
| C10 | C3 | C4 | H3 | 153.6° | 115.8° |
| C3 | C10 | C6 | H6 | 78.6° | 73.2° |
| C3 | C10 | C11 | H12 | 39.7° | 61.5° |
| C3 | C10 | C11 | H13 | 80.4° | 178.6° |
| C3 | C10 | C11 | H14 | 159.6° | 58.6° |
| C3 | C10 | C12 | H15 | 67.3° | 60.9° |
| C3 | C10 | C12 | H16 | 52.2° | 59.9° |
| C9 | C17 | C15 | C14 | 1.0° | 0.7° |
| C9 | C17 | C15 | C18 | 179.5° | 179.9° |
| C9 | C17 | C15 | C16 | 180.0° | 179.5° |
| C9 | C17 | C18 | C19 | 179.6° | 179.6° |
| C17 | C9 | C8 | H8 | 151.2° | 71.0° |
| C17 | C9 | C8 | H9 | 85.8° | 168.3° |
| C17 | C9 | H10 | H11 | 118.2° | 119.2° |
| C9 | C17 | C18 | H21 | 0.3° | 0.3° |
| C7 | C14 | C15 | C13 | 132.0° | 124.6° |
| C7 | C14 | C15 | H19 | 115.4° | 117.6° |
| C7 | C14 | C13 | H19 | 114.9° | 117.9° |
| C7 | C14 | C15 | C17 | 24.4° | 20.8° |
| C7 | C14 | C13 | C12 | 57.2° | 56.0° |
| C7 | C14 | C15 | C16 | 156.6° | 159.4° |
| C14 | C7 | C6 | H6 | 56.8° | 55.9° |
| C14 | C7 | C8 | H8 | 175.6° | 49.4° |
| C14 | C7 | C8 | H9 | 61.4° | 170.1° |
| C7 | C14 | C13 | H17 | 177.2° | 64.3° |
| C7 | C14 | C13 | H18 | 62.3° | 176.2° |
| C10 | C12 | C13 | C14 | 51.9° | 57.0° |
| C10 | C12 | C13 | H15 | 120.0° | 119.5° |
| C10 | C12 | C13 | H16 | 120.5° | 119.5° |
| C12 | C10 | C6 | H6 | 46.7° | 51.2° |
| C12 | C10 | C11 | H12 | 167.8° | 67.7° |
| C12 | C10 | C11 | H13 | 47.8° | 52.3° |
| C12 | C10 | C11 | H14 | 72.2° | 172.3° |
| C10 | C12 | H15 | H16 | 120.5° | 120.8° |
| C10 | C12 | C13 | H17 | 171.9° | 63.3° |
| C10 | C12 | C13 | H18 | 67.6° | 177.3° |
| C11 | C10 | C12 | C13 | 66.0° | 55.5° |
| C11 | C10 | C6 | H6 | 170.1° | 170.1° |
| C10 | C11 | H12 | H13 | 120.0° | 119.9° |
| C10 | C11 | H12 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C11 | C10 | C12 | H15 | 54.0° | 64.1° |
| C11 | C10 | C12 | H16 | 173.4° | 175.1° |
| C15 | C14 | C13 | H19 | 114.1° | 118.2° |
| C14 | C15 | C17 | C16 | 178.9° | 179.8° |
| C14 | C15 | C17 | C18 | 179.5° | 179.4° |
| C15 | C14 | C13 | C12 | 171.8° | 179.8° |
| C14 | C15 | C16 | C20 | 179.6° | 179.6° |
| C15 | C14 | C7 | H7 | 68.8° | 65.9° |
| C15 | C14 | C13 | H17 | 51.8° | 59.6° |
| C15 | C14 | C13 | H18 | 68.7° | 59.9° |
| C14 | C15 | C16 | H20 | 0.4° | 0.4° |
| C13 | C14 | C15 | C17 | 156.4° | 145.4° |
| C14 | C13 | C12 | H17 | 120.0° | 120.2° |
| C14 | C13 | C12 | H18 | 119.5° | 120.3° |
| C13 | C14 | C15 | C16 | 24.6° | 34.8° |
| C13 | C14 | C7 | H7 | 63.6° | 58.9° |
| C14 | C13 | C12 | H15 | 171.9° | 176.5° |
| C14 | C13 | C12 | H16 | 68.6° | 62.6° |
| C14 | C13 | H17 | H18 | 119.5° | 119.5° |
| C15 | C17 | C18 | C19 | 0.2° | 0.2° |
| C17 | C15 | C16 | C20 | 0.6° | 0.2° |
| C15 | C17 | C9 | H10 | 124.0° | 135.4° |
| C15 | C17 | C9 | H11 | 114.2° | 105.5° |
| C17 | C15 | C14 | H19 | 91.0° | 96.8° |
| C17 | C15 | C16 | H20 | 179.4° | 179.7° |
| C15 | C17 | C18 | H21 | 179.8° | 179.8° |
| C18 | C17 | C15 | C16 | 0.5° | 0.4° |
| C17 | C18 | C19 | H21 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | O2 | 179.8° | 180.0° |
| C18 | C17 | C9 | H10 | 56.6° | 44.7° |
| C18 | C17 | C9 | H11 | 65.3° | 74.4° |
| C13 | C12 | H15 | H16 | 120.6° | 120.9° |
| C12 | C13 | H17 | H18 | 119.5° | 119.4° |
| C12 | C13 | C14 | H19 | 57.7° | 62.0° |
| C15 | C16 | C20 | H20 | 180.0° | 180.0° |
| C15 | C16 | C20 | C19 | 0.3° | 0.1° |
| C16 | C15 | C14 | H19 | 88.0° | 83.0° |
| C15 | C16 | C20 | H23 | 179.7° | 180.0° |
| C18 | C19 | C20 | C16 | 0.1° | 0.2° |
| C18 | C19 | C20 | O2 | 179.6° | 179.9° |
| C18 | C19 | O2 | H22 | 48.7° | 90.0° |
| C18 | C19 | C20 | H23 | 179.9° | 179.8° |
| C16 | C20 | C19 | H23 | 180.0° | 179.9° |
| C16 | C20 | C19 | O2 | 179.7° | 179.8° |
| C19 | C20 | C16 | H20 | 179.7° | 180.0° |
| C20 | C19 | C18 | H21 | 179.8° | 179.9° |
| C20 | C19 | O2 | H22 | 130.9° | 89.9° |
| O2 | C19 | C18 | H21 | 0.2° | 0.0° |
| O2 | C19 | C20 | H23 | 0.2° | 0.1° |
| H2 | C4 | C5 | H4 | 127.8° | 23.1° |
| H2 | C4 | C5 | H5 | 9.5° | 146.4° |
| H3 | C4 | C5 | H4 | 9.4° | 98.4° |
| H3 | C4 | C5 | H5 | 108.9° | 24.9° |
| H4 | C5 | C6 | H6 | 17.7° | 41.7° |
| H5 | C5 | C6 | H6 | 136.0° | 164.9° |
| H6 | C6 | C7 | H7 | 179.2° | 175.0° |
| H7 | C7 | C8 | H8 | 52.7° | 169.4° |
| H7 | C7 | C8 | H9 | 175.7° | 69.9° |
| H7 | C7 | C14 | H19 | 176.4° | 176.5° |
| H8 | C8 | C9 | H10 | 88.8° | 49.5° |
| H8 | C8 | C9 | H11 | 33.1° | 168.5° |
| H9 | C8 | C9 | H10 | 34.2° | 71.2° |
| H9 | C8 | C9 | H11 | 156.1° | 47.8° |
| H12 | C11 | H13 | H14 | 119.9° | 120.1° |
| H15 | C12 | C13 | H17 | 68.1° | 56.3° |
| H15 | C12 | C13 | H18 | 52.4° | 63.2° |
| H16 | C12 | C13 | H17 | 51.3° | 177.2° |
| H16 | C12 | C13 | H18 | 171.9° | 57.7° |
| H17 | C13 | C14 | H19 | 62.3° | 177.8° |
| H18 | C13 | C14 | H19 | 177.2° | 58.3° |
| H20 | C16 | C20 | H23 | 0.3° | 0.0° |
