A1ACE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| O | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.54Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.52Å | 1.50Å | |
| C8 | C9 | doub | 1.33Å | 1.34Å | |
| C9 | C10 | sing | 1.47Å | 1.45Å | |
| O1 | C10 | doub | 1.22Å | 1.24Å | |
| C10 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | doub | 1.32Å | 1.33Å | |
| C12 | C13 | sing | 1.49Å | 1.50Å | |
| C4 | C13 | sing | 1.53Å | 1.58Å | |
| C13 | C8 | sing | 1.50Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C5 | C15 | sing | 1.52Å | 1.53Å | |
| C1 | C15 | sing | 1.55Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C17 | O2 | sing | 1.44Å | 1.44Å | |
| O2 | C18 | sing | 1.44Å | 1.42Å | |
| C18 | O3 | sing | 1.44Å | 1.42Å | |
| O3 | C19 | sing | 1.44Å | 1.43Å | |
| C1 | C19 | sing | 1.52Å | 1.57Å | |
| C17 | C19 | sing | 1.56Å | 1.56Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | O4 | doub | 1.21Å | 1.20Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| O5 | C21 | sing | 1.43Å | 1.40Å | |
| C22 | C18 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| N | C31 | sing | 1.40Å | 1.38Å | |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| N | H35 | sing | 0.97Å | 1.00Å | |
| N | H34 | sing | 0.97Å | 1.00Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| O5 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 111.4° | 109.8° |
| C | C1 | C15 | 112.8° | 109.8° |
| C | C1 | C19 | 109.0° | 109.9° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C2 | C3 | 114.1° | 107.2° |
| C2 | C1 | C15 | 107.8° | 107.2° |
| C2 | C1 | C19 | 115.8° | 116.4° |
| C1 | C2 | H9 | 108.3° | 109.9° |
| C1 | C2 | H10 | 108.3° | 110.0° |
| C2 | C3 | O | 111.1° | 109.1° |
| C2 | C3 | C4 | 113.4° | 111.6° |
| C3 | C2 | H9 | 108.3° | 109.9° |
| C3 | C2 | H10 | 108.3° | 109.9° |
| C2 | C3 | H | 105.2° | 109.1° |
| O | C3 | C4 | 114.9° | 109.1° |
| O | C3 | H | 106.3° | 108.9° |
| C3 | O | H11 | 109.5° | 114.0° |
| C3 | C4 | C5 | 113.4° | 111.6° |
| C3 | C4 | C13 | 114.4° | 109.3° |
| C3 | C4 | H1 | 105.7° | 108.4° |
| C4 | C3 | H | 104.9° | 109.1° |
| C4 | C5 | C6 | 110.7° | 109.7° |
| C5 | C4 | C13 | 111.1° | 109.0° |
| C4 | C5 | C15 | 108.0° | 107.4° |
| C5 | C4 | H1 | 105.8° | 109.2° |
| C4 | C5 | H2 | 109.4° | 109.7° |
| C5 | C6 | C7 | 113.3° | 109.7° |
| C6 | C5 | C15 | 109.7° | 109.9° |
| C6 | C5 | H2 | 109.4° | 110.5° |
| C5 | C6 | H12 | 108.5° | 109.4° |
| C5 | C6 | H13 | 108.5° | 109.4° |
| C6 | C7 | C8 | 111.2° | 108.1° |
| C7 | C6 | H12 | 108.5° | 109.5° |
| C7 | C6 | H13 | 108.5° | 109.4° |
| C6 | C7 | H15 | 109.0° | 109.7° |
| C6 | C7 | H14 | 109.1° | 109.8° |
| C7 | C8 | C9 | 121.6° | 119.0° |
| C7 | C8 | C13 | 115.8° | 118.0° |
| C8 | C7 | H15 | 109.1° | 109.8° |
| C8 | C7 | H14 | 109.1° | 109.8° |
| C8 | C9 | C10 | 122.7° | 120.6° |
| C9 | C8 | C13 | 122.5° | 123.0° |
| C8 | C9 | H16 | 118.7° | 119.7° |
| C9 | C10 | O1 | 121.6° | 120.8° |
| C9 | C10 | C11 | 116.8° | 118.4° |
| C10 | C9 | H16 | 118.7° | 119.7° |
| O1 | C10 | C11 | 121.5° | 120.8° |
| C10 | C11 | C12 | 121.3° | 119.9° |
| C10 | C11 | H17 | 119.4° | 120.1° |
| C11 | C12 | C13 | 124.7° | 124.1° |
| C12 | C11 | H17 | 119.4° | 120.1° |
| C11 | C12 | H18 | 117.6° | 118.0° |
| C12 | C13 | C4 | 109.6° | 110.7° |
| C12 | C13 | C8 | 112.0° | 113.8° |
| C12 | C13 | C14 | 107.2° | 107.2° |
| C13 | C12 | H18 | 117.7° | 117.9° |
| C4 | C13 | C8 | 105.2° | 109.3° |
| C4 | C13 | C14 | 114.1° | 107.8° |
| C13 | C4 | H1 | 105.5° | 109.2° |
| C8 | C13 | C14 | 108.8° | 107.8° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C5 | C15 | C1 | 114.2° | 107.2° |
| C5 | C15 | C16 | 119.7° | 115.7° |
| C15 | C5 | H2 | 109.6° | 109.7° |
| C5 | C15 | H3 | 106.1° | 110.3° |
| C1 | C15 | C16 | 103.9° | 101.7° |
| C15 | C1 | C19 | 99.6° | 103.4° |
| C1 | C15 | H3 | 105.9° | 111.2° |
| C15 | C16 | C17 | 103.0° | 103.1° |
| C16 | C15 | H3 | 106.0° | 110.4° |
| C15 | C16 | H22 | 111.0° | 110.7° |
| C15 | C16 | H23 | 111.1° | 110.7° |
| C16 | C17 | O2 | 108.1° | 108.7° |
| C16 | C17 | C19 | 106.9° | 106.2° |
| C16 | C17 | H4 | 112.0° | 112.1° |
| C17 | C16 | H22 | 111.1° | 110.7° |
| C17 | C16 | H23 | 111.0° | 110.7° |
| C17 | O2 | C18 | 108.2° | 105.0° |
| O2 | C17 | C19 | 103.9° | 104.5° |
| O2 | C17 | H4 | 113.6° | 112.3° |
| O2 | C18 | O3 | 104.8° | 104.6° |
| O2 | C18 | C22 | 110.4° | 110.4° |
| O2 | C18 | H5 | 110.7° | 110.6° |
| C18 | O3 | C19 | 106.4° | 104.6° |
| O3 | C18 | C22 | 110.5° | 110.4° |
| O3 | C18 | H5 | 110.7° | 110.4° |
| O3 | C19 | C1 | 110.1° | 111.0° |
| O3 | C19 | C17 | 103.6° | 104.6° |
| O3 | C19 | C20 | 108.4° | 111.8° |
| C1 | C19 | C17 | 104.9° | 105.2° |
| C1 | C19 | C20 | 114.6° | 111.8° |
| C17 | C19 | C20 | 114.7° | 112.0° |
| C19 | C17 | H4 | 111.8° | 112.5° |
| C19 | C20 | O4 | 122.2° | 120.0° |
| C19 | C20 | C21 | 117.9° | 120.0° |
| O4 | C20 | C21 | 119.8° | 120.0° |
| C20 | C21 | O5 | 112.2° | 109.4° |
| C20 | C21 | H25 | 108.8° | 109.5° |
| C20 | C21 | H24 | 108.8° | 109.5° |
| O5 | C21 | H25 | 108.8° | 109.4° |
| O5 | C21 | H24 | 108.8° | 109.5° |
| C21 | O5 | H26 | 109.5° | 114.0° |
| C18 | C22 | C23 | 121.0° | 120.0° |
| C18 | C22 | C34 | 120.8° | 120.0° |
| C22 | C18 | H5 | 109.6° | 110.4° |
| C22 | C23 | C24 | 121.0° | 120.0° |
| C23 | C22 | C34 | 118.2° | 120.0° |
| C22 | C23 | H27 | 119.5° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C23 | C24 | H28 | 119.5° | 120.1° |
| C24 | C23 | H27 | 119.5° | 119.9° |
| C24 | C25 | C26 | 121.1° | 120.0° |
| C24 | C25 | C33 | 118.1° | 120.0° |
| C25 | C24 | H28 | 119.6° | 120.0° |
| C25 | C26 | C27 | 113.6° | 109.5° |
| C26 | C25 | C33 | 120.9° | 120.0° |
| C25 | C26 | H30 | 108.4° | 109.4° |
| C25 | C26 | H29 | 108.4° | 109.5° |
| C26 | C27 | C28 | 121.0° | 119.9° |
| C26 | C27 | C32 | 120.6° | 120.0° |
| C27 | C26 | H30 | 108.5° | 109.4° |
| C27 | C26 | H29 | 108.5° | 109.5° |
| C27 | C28 | C29 | 120.5° | 120.1° |
| C28 | C27 | C32 | 118.4° | 120.1° |
| C27 | C28 | H31 | 119.7° | 119.9° |
| C28 | C29 | C30 | 120.4° | 120.1° |
| C29 | C28 | H31 | 119.7° | 120.0° |
| C28 | C29 | H32 | 119.8° | 119.9° |
| C29 | C30 | C31 | 120.2° | 119.9° |
| C30 | C29 | H32 | 119.8° | 119.9° |
| C29 | C30 | H33 | 119.9° | 120.0° |
| C30 | C31 | N | 120.8° | 120.1° |
| C30 | C31 | C32 | 118.5° | 119.9° |
| C31 | C30 | H33 | 119.9° | 120.1° |
| N | C31 | C32 | 120.6° | 120.1° |
| C31 | N | H35 | 109.5° | 120.0° |
| C31 | N | H34 | 109.5° | 120.0° |
| C31 | C32 | C27 | 121.9° | 119.9° |
| C31 | C32 | H36 | 119.0° | 120.0° |
| C27 | C32 | H36 | 119.0° | 120.0° |
| C25 | C33 | C34 | 121.0° | 120.0° |
| C25 | C33 | H37 | 119.5° | 120.0° |
| C33 | C34 | C22 | 120.9° | 120.0° |
| C33 | C34 | H38 | 119.6° | 120.0° |
| C34 | C33 | H37 | 119.5° | 120.0° |
| C22 | C34 | H38 | 119.6° | 120.0° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| H15 | C7 | H14 | 109.4° | 109.7° |
| H25 | C21 | H24 | 109.5° | 109.5° |
| H30 | C26 | H29 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 110.7° |
| H9 | C2 | H10 | 109.5° | 110.0° |
| H21 | C14 | H19 | 109.5° | 109.5° |
| H21 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.4° | 109.4° |
| H8 | C | H7 | 109.5° | 109.5° |
| H8 | C | H6 | 109.5° | 109.4° |
| H7 | C | H6 | 109.5° | 109.5° |
| H35 | N | H34 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C15 | 124.2° | 119.3° |
| C | C1 | C2 | C19 | 125.3° | 125.6° |
| C | C1 | C2 | C3 | 71.7° | 54.6° |
| C | C1 | C15 | C5 | 63.3° | 49.2° |
| C | C1 | C15 | C19 | 115.4° | 117.2° |
| C | C1 | C15 | C16 | 68.8° | 72.7° |
| C | C1 | C19 | O3 | 166.4° | 159.7° |
| C | C1 | C19 | C17 | 82.7° | 87.7° |
| C | C1 | C19 | C20 | 44.0° | 34.1° |
| C | C1 | C15 | H3 | 179.8° | 169.8° |
| C | C1 | C2 | H9 | 49.0° | 174.1° |
| C | C1 | C2 | H10 | 167.6° | 64.7° |
| C1 | C | H8 | H7 | 120.0° | 120.1° |
| C1 | C | H8 | H6 | 120.0° | 120.0° |
| C1 | C | H7 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | H9 | 120.7° | 119.5° |
| C1 | C2 | C3 | H10 | 120.7° | 119.4° |
| C1 | C2 | C3 | O | 82.9° | 63.0° |
| C1 | C2 | C3 | C4 | 48.3° | 57.5° |
| C2 | C1 | C15 | C5 | 60.0° | 70.1° |
| C2 | C1 | C15 | C19 | 121.2° | 123.5° |
| C2 | C1 | C15 | C16 | 167.9° | 168.1° |
| C2 | C1 | C19 | O3 | 40.0° | 34.1° |
| C2 | C1 | C19 | C17 | 150.8° | 146.7° |
| C2 | C1 | C19 | C20 | 82.5° | 91.5° |
| C2 | C1 | C15 | H3 | 56.4° | 50.6° |
| C1 | C2 | H9 | H10 | 117.9° | 121.2° |
| C1 | C2 | C3 | H | 162.5° | 178.1° |
| C2 | C1 | C | H8 | 180.0° | 70.4° |
| C2 | C1 | C | H7 | 60.0° | 169.6° |
| C2 | C1 | C | H6 | 60.0° | 49.6° |
| C2 | C3 | O | C4 | 130.5° | 122.1° |
| C2 | C3 | O | H | 114.0° | 118.9° |
| C2 | C3 | C4 | H | 114.3° | 120.6° |
| C2 | C3 | C4 | C5 | 47.6° | 54.4° |
| C2 | C3 | C4 | C13 | 176.5° | 175.1° |
| C3 | C2 | C1 | C15 | 52.5° | 64.6° |
| C3 | C2 | C1 | C19 | 163.0° | 179.7° |
| C2 | C3 | C4 | H1 | 67.9° | 65.9° |
| C3 | C2 | H9 | H10 | 117.9° | 121.0° |
| C2 | C3 | O | H11 | 180.0° | 60.0° |
| O | C3 | C4 | H | 116.3° | 118.9° |
| O | C3 | C4 | C5 | 81.7° | 66.1° |
| O | C3 | C4 | C13 | 47.1° | 54.5° |
| O | C3 | C4 | H1 | 162.8° | 173.5° |
| O | C3 | C2 | H9 | 37.8° | 177.5° |
| O | C3 | C2 | H10 | 156.4° | 56.4° |
| C3 | C4 | C5 | C13 | 130.6° | 120.8° |
| C3 | C4 | C5 | H1 | 115.4° | 119.9° |
| C3 | C4 | C5 | C6 | 171.8° | 176.5° |
| C3 | C4 | C13 | C12 | 49.5° | 57.0° |
| C3 | C4 | C13 | H1 | 115.8° | 118.5° |
| C3 | C4 | C13 | C8 | 170.1° | 176.8° |
| C3 | C4 | C13 | C14 | 70.7° | 59.9° |
| C3 | C4 | C5 | C15 | 51.7° | 57.2° |
| C3 | C4 | C5 | H2 | 67.5° | 62.0° |
| C4 | C3 | C2 | H9 | 169.0° | 61.9° |
| C4 | C3 | C2 | H10 | 72.4° | 177.0° |
| C4 | C3 | O | H11 | 49.5° | 177.9° |
| C4 | C5 | C6 | C15 | 119.1° | 117.8° |
| C4 | C5 | C6 | H2 | 120.6° | 121.1° |
| C4 | C5 | C6 | C7 | 50.7° | 63.7° |
| C5 | C4 | C13 | C12 | 179.5° | 179.3° |
| C5 | C4 | C13 | H1 | 114.2° | 119.3° |
| C5 | C4 | C13 | C8 | 59.9° | 54.6° |
| C5 | C4 | C13 | C14 | 59.3° | 62.3° |
| C4 | C5 | C15 | H2 | 119.1° | 119.2° |
| C4 | C5 | C15 | C1 | 59.8° | 64.3° |
| C4 | C5 | C15 | C16 | 176.2° | 176.9° |
| C4 | C5 | C6 | H12 | 69.9° | 56.4° |
| C4 | C5 | C6 | H13 | 171.2° | 176.3° |
| C4 | C5 | C15 | H3 | 56.6° | 56.9° |
| C5 | C4 | C3 | H | 161.9° | 175.0° |
| C5 | C6 | C7 | H12 | 120.6° | 120.1° |
| C5 | C6 | C7 | H13 | 120.6° | 120.0° |
| C5 | C6 | C7 | C8 | 47.9° | 55.3° |
| C6 | C5 | C4 | C13 | 57.6° | 62.7° |
| C6 | C5 | C15 | H2 | 120.2° | 121.6° |
| C6 | C5 | C15 | C1 | 179.5° | 176.5° |
| C6 | C5 | C15 | C16 | 55.5° | 63.9° |
| C6 | C5 | C4 | H1 | 56.4° | 56.6° |
| C5 | C6 | H12 | H13 | 118.3° | 119.9° |
| C5 | C6 | C7 | H15 | 168.1° | 174.9° |
| C5 | C6 | C7 | H14 | 72.4° | 64.4° |
| C6 | C5 | C15 | H3 | 64.2° | 62.2° |
| C6 | C7 | C8 | H15 | 120.3° | 119.6° |
| C6 | C7 | C8 | H14 | 120.3° | 119.7° |
| C6 | C7 | C8 | C9 | 121.5° | 128.1° |
| C6 | C7 | C8 | C13 | 55.0° | 52.0° |
| C7 | C6 | C5 | C15 | 169.8° | 178.6° |
| C7 | C6 | C5 | H2 | 70.0° | 57.4° |
| C7 | C6 | H12 | H13 | 118.2° | 119.9° |
| C6 | C7 | H15 | H14 | 119.2° | 120.7° |
| C7 | C8 | C9 | C13 | 176.2° | 179.9° |
| C7 | C8 | C9 | C10 | 178.7° | 179.0° |
| C7 | C8 | C13 | C12 | 178.7° | 176.4° |
| C7 | C8 | C13 | C4 | 59.7° | 52.1° |
| C7 | C8 | C13 | C14 | 62.9° | 64.8° |
| C8 | C7 | C6 | H12 | 72.7° | 64.8° |
| C8 | C7 | C6 | H13 | 168.5° | 175.3° |
| C8 | C7 | H15 | H14 | 119.2° | 120.7° |
| C7 | C8 | C9 | H16 | 1.3° | 1.0° |
| C8 | C9 | C10 | H16 | 180.0° | 180.0° |
| C8 | C9 | C10 | O1 | 175.7° | 177.8° |
| C8 | C9 | C10 | C11 | 1.7° | 2.1° |
| C9 | C8 | C13 | C12 | 2.2° | 3.7° |
| C9 | C8 | C13 | C4 | 116.7° | 128.0° |
| C9 | C8 | C13 | C14 | 120.6° | 115.1° |
| C9 | C8 | C7 | H15 | 1.2° | 8.5° |
| C9 | C8 | C7 | H14 | 118.2° | 112.2° |
| C9 | C10 | O1 | C11 | 177.3° | 179.9° |
| C9 | C10 | C11 | C12 | 1.1° | 2.4° |
| C10 | C9 | C8 | C13 | 2.4° | 1.1° |
| C9 | C10 | C11 | H17 | 178.9° | 177.5° |
| O1 | C10 | C11 | C12 | 176.3° | 177.6° |
| O1 | C10 | C11 | H17 | 3.7° | 2.6° |
| O1 | C10 | C9 | H16 | 4.4° | 2.2° |
| C10 | C11 | C12 | H17 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.3° | 0.5° |
| C11 | C10 | C9 | H16 | 178.2° | 177.9° |
| C10 | C11 | C12 | H18 | 178.7° | 179.6° |
| C11 | C12 | C13 | H18 | 180.0° | 179.9° |
| C11 | C12 | C13 | C4 | 114.6° | 127.0° |
| C11 | C12 | C13 | C8 | 1.7° | 3.4° |
| C11 | C12 | C13 | C14 | 121.0° | 115.8° |
| C12 | C13 | C4 | C8 | 120.6° | 126.1° |
| C12 | C13 | C4 | C14 | 120.2° | 116.9° |
| C12 | C13 | C8 | C14 | 118.4° | 118.8° |
| C12 | C13 | C4 | H1 | 66.3° | 61.4° |
| C13 | C12 | C11 | H17 | 178.7° | 179.6° |
| C12 | C13 | C14 | H21 | 180.0° | 40.2° |
| C12 | C13 | C14 | H19 | 60.0° | 79.8° |
| C12 | C13 | C14 | H20 | 60.0° | 160.2° |
| C4 | C13 | C8 | C14 | 122.7° | 116.9° |
| C13 | C4 | C5 | C15 | 177.8° | 178.0° |
| C13 | C4 | C5 | H2 | 63.0° | 58.8° |
| C4 | C13 | C12 | H18 | 65.4° | 53.2° |
| C13 | C4 | C3 | H | 69.2° | 64.3° |
| C4 | C13 | C14 | H21 | 58.5° | 79.0° |
| C4 | C13 | C14 | H19 | 61.6° | 161.0° |
| C4 | C13 | C14 | H20 | 178.5° | 41.1° |
| C8 | C13 | C4 | H1 | 54.3° | 64.7° |
| C13 | C8 | C7 | H15 | 175.2° | 171.6° |
| C13 | C8 | C7 | H14 | 65.3° | 67.7° |
| C13 | C8 | C9 | H16 | 177.5° | 178.9° |
| C8 | C13 | C12 | H18 | 178.3° | 176.7° |
| C8 | C13 | C14 | H21 | 58.7° | 163.1° |
| C8 | C13 | C14 | H19 | 178.7° | 43.1° |
| C8 | C13 | C14 | H20 | 61.4° | 76.8° |
| C14 | C13 | C4 | H1 | 173.5° | 178.4° |
| C14 | C13 | C12 | H18 | 59.0° | 64.1° |
| C13 | C14 | H21 | H19 | 120.0° | 120.0° |
| C13 | C14 | H21 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H20 | 120.0° | 120.0° |
| C5 | C15 | C1 | C16 | 132.1° | 121.8° |
| C5 | C15 | C1 | H3 | 116.4° | 120.7° |
| C5 | C15 | C16 | H3 | 119.7° | 126.1° |
| C5 | C15 | C16 | C17 | 168.6° | 157.4° |
| C5 | C15 | C1 | C19 | 178.8° | 166.4° |
| C15 | C5 | C4 | H1 | 63.8° | 62.7° |
| C15 | C5 | C6 | H12 | 49.2° | 61.3° |
| C15 | C5 | C6 | H13 | 69.7° | 58.6° |
| C5 | C15 | C16 | H22 | 49.6° | 39.0° |
| C5 | C15 | C16 | H23 | 72.5° | 84.2° |
| C1 | C15 | C16 | H3 | 111.4° | 118.1° |
| C1 | C15 | C16 | C17 | 39.7° | 41.6° |
| C15 | C1 | C19 | O3 | 75.3° | 83.1° |
| C15 | C1 | C19 | C17 | 35.6° | 29.5° |
| C15 | C1 | C19 | C20 | 162.3° | 151.2° |
| C1 | C15 | C5 | H2 | 59.3° | 54.9° |
| C1 | C15 | C16 | H22 | 79.3° | 76.8° |
| C1 | C15 | C16 | H23 | 158.6° | 160.0° |
| C15 | C1 | C2 | H9 | 173.2° | 54.8° |
| C15 | C1 | C2 | H10 | 68.2° | 176.0° |
| C15 | C1 | C | H8 | 58.7° | 47.3° |
| C15 | C1 | C | H7 | 178.7° | 72.7° |
| C15 | C1 | C | H6 | 61.3° | 167.2° |
| C15 | C16 | C17 | H22 | 119.0° | 118.4° |
| C15 | C16 | C17 | H23 | 118.9° | 118.5° |
| C15 | C16 | C17 | O2 | 95.0° | 88.3° |
| C16 | C15 | C1 | C19 | 46.6° | 44.5° |
| C15 | C16 | C17 | C19 | 16.3° | 23.7° |
| C16 | C15 | C5 | H2 | 64.7° | 57.7° |
| C15 | C16 | C17 | H4 | 139.2° | 146.9° |
| C15 | C16 | H22 | H23 | 123.0° | 123.2° |
| C16 | C17 | O2 | C19 | 113.4° | 113.1° |
| C16 | C17 | O2 | H4 | 124.9° | 124.7° |
| C16 | C17 | O2 | C18 | 124.8° | 135.7° |
| C16 | C17 | C19 | O3 | 103.2° | 113.3° |
| C16 | C17 | C19 | C1 | 12.3° | 3.7° |
| C16 | C17 | C19 | H4 | 122.9° | 123.0° |
| C16 | C17 | C19 | C20 | 138.9° | 125.4° |
| C17 | C16 | C15 | H3 | 71.7° | 76.5° |
| C17 | C16 | H22 | H23 | 123.0° | 123.1° |
| C17 | O2 | C18 | O3 | 30.0° | 39.3° |
| O2 | C17 | C19 | O3 | 11.0° | 1.6° |
| O2 | C17 | C19 | C1 | 126.5° | 118.6° |
| O2 | C17 | C19 | H4 | 122.9° | 122.1° |
| O2 | C17 | C19 | C20 | 106.9° | 119.7° |
| C17 | O2 | C18 | C22 | 149.1° | 158.0° |
| O2 | C17 | C16 | H22 | 146.1° | 153.3° |
| O2 | C17 | C16 | H23 | 24.0° | 30.2° |
| C17 | O2 | C18 | H5 | 89.4° | 79.6° |
| O2 | C18 | O3 | C22 | 119.0° | 118.8° |
| O2 | C18 | O3 | H5 | 119.4° | 119.0° |
| O2 | C18 | O3 | C19 | 37.6° | 40.3° |
| C18 | O2 | C17 | C19 | 11.4° | 22.6° |
| O2 | C18 | C22 | H5 | 122.2° | 122.5° |
| O2 | C18 | C22 | C23 | 51.1° | 64.8° |
| O2 | C18 | C22 | C34 | 126.3° | 115.4° |
| C18 | O2 | C17 | H4 | 110.3° | 99.6° |
| C18 | O3 | C19 | C1 | 141.3° | 138.1° |
| C18 | O3 | C19 | C17 | 29.6° | 25.1° |
| C18 | O3 | C19 | C20 | 92.7° | 96.3° |
| O3 | C18 | C22 | H5 | 122.3° | 122.3° |
| O3 | C18 | C22 | C23 | 166.6° | 180.0° |
| O3 | C18 | C22 | C34 | 10.8° | 0.3° |
| O3 | C19 | C1 | C17 | 110.9° | 112.6° |
| O3 | C19 | C1 | C20 | 122.4° | 125.6° |
| O3 | C19 | C17 | C20 | 117.9° | 121.3° |
| O3 | C19 | C20 | O4 | 133.4° | 157.2° |
| O3 | C19 | C20 | C21 | 45.5° | 22.8° |
| C19 | O3 | C18 | C22 | 156.6° | 159.0° |
| O3 | C19 | C17 | H4 | 133.9° | 123.7° |
| C19 | O3 | C18 | H5 | 81.8° | 78.7° |
| C1 | C19 | C17 | C20 | 126.6° | 121.6° |
| C1 | C19 | C20 | O4 | 103.2° | 32.1° |
| C1 | C19 | C20 | C21 | 77.9° | 147.9° |
| C19 | C1 | C15 | H3 | 64.8° | 73.0° |
| C1 | C19 | C17 | H4 | 110.6° | 119.2° |
| C19 | C1 | C2 | H9 | 76.3° | 60.3° |
| C19 | C1 | C2 | H10 | 42.3° | 60.9° |
| C19 | C1 | C | H8 | 51.0° | 160.4° |
| C19 | C1 | C | H7 | 69.0° | 40.3° |
| C19 | C1 | C | H6 | 171.0° | 79.7° |
| C17 | C19 | C20 | O4 | 18.3° | 85.7° |
| C17 | C19 | C20 | C21 | 160.7° | 94.3° |
| C19 | C17 | C16 | H22 | 102.6° | 94.7° |
| C19 | C17 | C16 | H23 | 135.3° | 142.2° |
| C19 | C20 | O4 | C21 | 178.9° | 180.0° |
| C19 | C20 | C21 | O5 | 167.8° | 180.0° |
| C20 | C19 | C17 | H4 | 16.0° | 2.4° |
| C19 | C20 | C21 | H25 | 71.8° | 60.0° |
| C19 | C20 | C21 | H24 | 47.4° | 60.0° |
| O4 | C20 | C21 | O5 | 13.2° | 0.0° |
| O4 | C20 | C21 | H25 | 107.2° | 120.0° |
| O4 | C20 | C21 | H24 | 133.7° | 120.0° |
| C20 | C21 | O5 | H25 | 120.4° | 120.0° |
| C20 | C21 | O5 | H24 | 120.4° | 120.1° |
| C20 | C21 | H25 | H24 | 118.7° | 120.0° |
| C20 | C21 | O5 | H26 | 5.9° | 180.0° |
| O5 | C21 | H25 | H24 | 118.8° | 120.0° |
| C18 | C22 | C23 | C34 | 177.5° | 179.7° |
| C18 | C22 | C23 | C24 | 177.3° | 180.0° |
| C18 | C22 | C34 | C33 | 177.5° | 180.0° |
| C18 | C22 | C34 | H38 | 2.5° | 0.0° |
| C18 | C22 | C23 | H27 | 2.7° | 0.0° |
| C22 | C23 | C24 | H27 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C34 | C33 | 0.0° | 0.2° |
| C22 | C23 | C24 | H28 | 180.0° | 179.9° |
| C23 | C22 | C34 | H38 | 180.0° | 179.7° |
| C23 | C22 | C18 | H5 | 71.1° | 57.7° |
| C23 | C24 | C25 | H28 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.0° | 180.0° |
| C23 | C24 | C25 | C33 | 0.3° | 0.3° |
| C24 | C23 | C22 | C34 | 0.2° | 0.3° |
| C24 | C25 | C26 | C33 | 179.3° | 179.7° |
| C24 | C25 | C26 | C27 | 50.9° | 90.0° |
| C24 | C25 | C33 | C34 | 0.5° | 0.4° |
| C24 | C25 | C26 | H30 | 69.7° | 150.0° |
| C24 | C25 | C26 | H29 | 171.6° | 30.0° |
| C25 | C24 | C23 | H27 | 179.9° | 180.0° |
| C24 | C25 | C33 | H37 | 179.5° | 179.7° |
| C25 | C26 | C27 | H30 | 120.6° | 119.9° |
| C25 | C26 | C27 | H29 | 120.6° | 120.1° |
| C25 | C26 | C27 | C28 | 58.9° | 89.5° |
| C25 | C26 | C27 | C32 | 120.4° | 90.0° |
| C26 | C25 | C33 | C34 | 178.8° | 180.0° |
| C26 | C25 | C24 | H28 | 0.9° | 0.0° |
| C25 | C26 | H30 | H29 | 118.1° | 120.0° |
| C26 | C25 | C33 | H37 | 1.2° | 0.1° |
| C26 | C27 | C28 | C32 | 179.4° | 179.5° |
| C26 | C27 | C28 | C29 | 177.8° | 179.4° |
| C26 | C27 | C32 | C31 | 178.7° | 180.0° |
| C27 | C26 | C25 | C33 | 129.7° | 90.3° |
| C27 | C26 | H30 | H29 | 118.2° | 120.0° |
| C26 | C27 | C28 | H31 | 2.2° | 0.2° |
| C26 | C27 | C32 | H36 | 1.2° | 0.0° |
| C27 | C28 | C29 | H31 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 1.0° | 0.3° |
| C28 | C27 | C32 | C31 | 0.6° | 0.5° |
| C28 | C27 | C26 | H30 | 179.5° | 150.6° |
| C28 | C27 | C26 | H29 | 61.7° | 30.6° |
| C27 | C28 | C29 | H32 | 178.9° | 179.7° |
| C28 | C27 | C32 | H36 | 179.4° | 179.4° |
| C28 | C29 | C30 | H32 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.4° | 0.0° |
| C29 | C28 | C27 | C32 | 1.5° | 0.1° |
| C28 | C29 | C30 | H33 | 179.6° | 179.9° |
| C29 | C30 | C31 | H33 | 180.0° | 179.9° |
| C29 | C30 | C31 | N | 176.1° | 180.0° |
| C29 | C30 | C31 | C32 | 1.3° | 0.6° |
| C30 | C29 | C28 | H31 | 179.0° | 180.0° |
| C30 | C31 | N | C32 | 177.3° | 179.4° |
| C30 | C31 | C32 | C27 | 0.8° | 0.9° |
| C31 | C30 | C29 | H32 | 179.6° | 179.9° |
| C30 | C31 | C32 | H36 | 179.2° | 179.1° |
| C30 | C31 | N | H35 | 180.0° | 0.1° |
| C30 | C31 | N | H34 | 60.0° | 180.0° |
| N | C31 | C32 | C27 | 176.6° | 179.7° |
| N | C31 | C30 | H33 | 3.9° | 0.1° |
| N | C31 | C32 | H36 | 3.4° | 0.3° |
| C31 | N | H35 | H34 | 120.0° | 179.9° |
| C31 | C32 | C27 | H36 | 180.0° | 180.0° |
| C32 | C31 | C30 | H33 | 178.7° | 179.5° |
| C32 | C31 | N | H35 | 2.7° | 179.5° |
| C32 | C31 | N | H34 | 117.3° | 0.6° |
| C32 | C27 | C26 | H30 | 0.2° | 30.0° |
| C32 | C27 | C26 | H29 | 119.0° | 149.9° |
| C32 | C27 | C28 | H31 | 178.5° | 179.7° |
| C25 | C33 | C34 | H37 | 180.0° | 179.9° |
| C25 | C33 | C34 | C22 | 0.4° | 0.1° |
| C33 | C25 | C24 | H28 | 179.7° | 179.6° |
| C33 | C25 | C26 | H30 | 109.7° | 29.6° |
| C33 | C25 | C26 | H29 | 9.1° | 149.6° |
| C25 | C33 | C34 | H38 | 179.6° | 180.0° |
| C33 | C34 | C22 | H38 | 180.0° | 179.9° |
| C34 | C22 | C23 | H27 | 179.8° | 179.7° |
| C22 | C34 | C33 | H37 | 179.6° | 180.0° |
| C34 | C22 | C18 | H5 | 111.4° | 122.1° |
| H1 | C4 | C5 | H2 | 177.0° | 178.1° |
| H1 | C4 | C3 | H | 46.4° | 54.6° |
| H2 | C5 | C6 | H12 | 169.5° | 177.5° |
| H2 | C5 | C6 | H13 | 50.6° | 62.6° |
| H2 | C5 | C15 | H3 | 175.6° | 176.1° |
| H12 | C6 | C7 | H15 | 47.6° | 54.9° |
| H12 | C6 | C7 | H14 | 167.0° | 175.5° |
| H13 | C6 | C7 | H15 | 71.3° | 65.1° |
| H13 | C6 | C7 | H14 | 48.2° | 55.5° |
| H3 | C15 | C16 | H22 | 169.3° | 165.1° |
| H3 | C15 | C16 | H23 | 47.2° | 41.9° |
| H4 | C17 | C16 | H22 | 20.2° | 28.5° |
| H4 | C17 | C16 | H23 | 101.9° | 94.7° |
| H25 | C21 | O5 | H26 | 114.5° | 60.1° |
| H24 | C21 | O5 | H26 | 126.3° | 59.9° |
| H28 | C24 | C23 | H27 | 0.1° | 0.0° |
| H31 | C28 | C29 | H32 | 1.1° | 0.0° |
| H32 | C29 | C30 | H33 | 0.4° | 0.1° |
| H38 | C34 | C33 | H37 | 0.4° | 0.1° |
| H17 | C11 | C12 | H18 | 1.3° | 0.3° |
| H9 | C2 | C3 | H | 76.9° | 58.6° |
| H10 | C2 | C3 | H | 41.7° | 62.5° |
| H | C3 | O | H11 | 66.0° | 59.0° |
| H21 | C14 | H19 | H20 | 120.0° | 120.0° |
| H8 | C | H7 | H6 | 120.0° | 119.9° |
