A1EAU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3M2 | C3M2 | sing | 1.43Å | 1.44Å | |
| O4M2 | C4M2 | sing | 1.43Å | 1.43Å | |
| C3M2 | C4M2 | sing | 1.53Å | 1.51Å | |
| C3M2 | C2M2 | sing | 1.53Å | 1.53Å | |
| C4M2 | C5M2 | sing | 1.53Å | 1.52Å | |
| O2M2 | C2M2 | sing | 1.43Å | 1.43Å | |
| C2M2 | C1M2 | sing | 1.53Å | 1.52Å | |
| C5M2 | O5M2 | sing | 1.43Å | 1.42Å | |
| C5M2 | C6M2 | sing | 1.53Å | 1.51Å | |
| O5M2 | C1M2 | sing | 1.43Å | 1.42Å | |
| C1M2 | O1M2 | sing | 1.43Å | 1.42Å | |
| C6M2 | O6M2 | sing | 1.43Å | 1.42Å | |
| C29 | O1M2 | sing | 1.43Å | 1.43Å | |
| C29 | C16 | sing | 1.53Å | 1.53Å | |
| O1 | C16 | sing | 1.43Å | 1.43Å | |
| O1 | C14 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | N | sing | 1.46Å | 1.46Å | |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.41Å | 1.39Å | Aromatic |
| O8 | C31 | doub | 1.22Å | 1.22Å | |
| C6 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C11 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | sing | 1.42Å | 1.39Å | Aromatic |
| C | C11 | sing | 1.48Å | 1.51Å | |
| C | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | O | doub | 1.22Å | 1.24Å | |
| C31 | C7 | sing | 1.48Å | 1.49Å | |
| C31 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | N1 | sing | 1.46Å | 1.46Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C22 | O9 | sing | 1.43Å | 1.43Å | |
| C22 | C18 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| O9 | C17 | sing | 1.43Å | 1.43Å | |
| O1M | C18 | sing | 1.43Å | 1.44Å | |
| O1M | C1M | sing | 1.43Å | 1.44Å | |
| O6M | C6M | sing | 1.43Å | 1.42Å | |
| O5M | C1M | sing | 1.43Å | 1.43Å | |
| O5M | C5M | sing | 1.43Å | 1.44Å | |
| C1M | C2M | sing | 1.53Å | 1.53Å | |
| C6M | C5M | sing | 1.53Å | 1.52Å | |
| C5M | C4M | sing | 1.53Å | 1.52Å | |
| C2M | O2M | sing | 1.43Å | 1.42Å | |
| C2M | C3M | sing | 1.53Å | 1.51Å | |
| C4M | C3M | sing | 1.53Å | 1.52Å | |
| C4M | O4M | sing | 1.43Å | 1.42Å | |
| C3M | O3M | sing | 1.43Å | 1.44Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C1M | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C2M | H24 | sing | 1.09Å | 1.10Å | |
| C3M | H25 | sing | 1.09Å | 1.10Å | |
| C4M | H26 | sing | 1.09Å | 1.10Å | |
| C5M | H27 | sing | 1.09Å | 1.10Å | |
| C6M | H28 | sing | 1.09Å | 1.10Å | |
| C6M | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| C9 | H31 | sing | 1.08Å | 1.08Å | |
| O2M | H32 | sing | 0.97Å | 0.95Å | |
| O3M | H33 | sing | 0.97Å | 0.95Å | |
| O4M | H34 | sing | 0.97Å | 0.95Å | |
| O6M | H35 | sing | 0.97Å | 0.95Å | |
| C1M2 | H36 | sing | 1.09Å | 1.10Å | |
| C2M2 | H37 | sing | 1.09Å | 1.10Å | |
| C3M2 | H38 | sing | 1.09Å | 1.10Å | |
| C4M2 | H39 | sing | 1.09Å | 1.10Å | |
| C5M2 | H40 | sing | 1.09Å | 1.10Å | |
| C6M2 | H41 | sing | 1.09Å | 1.10Å | |
| C6M2 | H42 | sing | 1.09Å | 1.10Å | |
| O2M2 | H43 | sing | 0.97Å | 0.95Å | |
| O3M2 | H44 | sing | 0.97Å | 0.95Å | |
| O4M2 | H45 | sing | 0.97Å | 0.95Å | |
| O6M2 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3M2 | C3M2 | C4M2 | 107.3° | 109.6° |
| O3M2 | C3M2 | C2M2 | 112.0° | 109.5° |
| O3M2 | C3M2 | H38 | 109.1° | 109.6° |
| C3M2 | O3M2 | H44 | 109.5° | 114.0° |
| O4M2 | C4M2 | C3M2 | 106.7° | 109.5° |
| O4M2 | C4M2 | C5M2 | 107.6° | 109.5° |
| O4M2 | C4M2 | H39 | 111.0° | 109.5° |
| C4M2 | O4M2 | H45 | 109.5° | 114.0° |
| C4M2 | C3M2 | C2M2 | 112.1° | 109.0° |
| C3M2 | C4M2 | C5M2 | 112.2° | 109.2° |
| C4M2 | C3M2 | H38 | 108.2° | 109.6° |
| C3M2 | C4M2 | H39 | 109.7° | 109.5° |
| C3M2 | C2M2 | O2M2 | 111.1° | 109.6° |
| C3M2 | C2M2 | C1M2 | 112.3° | 109.2° |
| C3M2 | C2M2 | H37 | 107.9° | 109.6° |
| C2M2 | C3M2 | H38 | 108.0° | 109.5° |
| C4M2 | C5M2 | O5M2 | 111.7° | 109.4° |
| C4M2 | C5M2 | C6M2 | 111.3° | 109.5° |
| C5M2 | C4M2 | H39 | 109.7° | 109.6° |
| C4M2 | C5M2 | H40 | 108.1° | 109.5° |
| O2M2 | C2M2 | C1M2 | 108.4° | 109.5° |
| O2M2 | C2M2 | H37 | 109.2° | 109.5° |
| C2M2 | O2M2 | H43 | 109.5° | 114.0° |
| C2M2 | C1M2 | O5M2 | 110.6° | 109.4° |
| C2M2 | C1M2 | O1M2 | 108.2° | 109.4° |
| C2M2 | C1M2 | H36 | 109.5° | 109.5° |
| C1M2 | C2M2 | H37 | 108.0° | 109.5° |
| O5M2 | C5M2 | C6M2 | 108.0° | 109.5° |
| C5M2 | O5M2 | C1M2 | 115.3° | 114.1° |
| O5M2 | C5M2 | H40 | 109.4° | 109.4° |
| C5M2 | C6M2 | O6M2 | 108.0° | 109.5° |
| C6M2 | C5M2 | H40 | 108.2° | 109.5° |
| C5M2 | C6M2 | H41 | 109.9° | 109.5° |
| C5M2 | C6M2 | H42 | 109.8° | 109.4° |
| O5M2 | C1M2 | O1M2 | 106.3° | 109.5° |
| O5M2 | C1M2 | H36 | 111.1° | 109.5° |
| C1M2 | O1M2 | C29 | 112.2° | 114.0° |
| O1M2 | C1M2 | H36 | 111.0° | 109.5° |
| O6M2 | C6M2 | H41 | 109.8° | 109.5° |
| O6M2 | C6M2 | H42 | 109.8° | 109.4° |
| C6M2 | O6M2 | H46 | 109.5° | 114.0° |
| O1M2 | C29 | C16 | 109.3° | 109.4° |
| O1M2 | C29 | H22 | 109.5° | 109.5° |
| O1M2 | C29 | H23 | 109.5° | 109.5° |
| C29 | C16 | O1 | 112.3° | 109.5° |
| C29 | C16 | H13 | 108.8° | 109.4° |
| C29 | C16 | H14 | 108.8° | 109.5° |
| C16 | C29 | H22 | 109.6° | 109.5° |
| C16 | C29 | H23 | 109.5° | 109.5° |
| C16 | O1 | C14 | 114.2° | 114.0° |
| O1 | C16 | H13 | 108.8° | 109.5° |
| O1 | C16 | H14 | 108.7° | 109.5° |
| O1 | C14 | C13 | 113.9° | 109.5° |
| O1 | C14 | H9 | 108.4° | 109.4° |
| O1 | C14 | H10 | 108.3° | 109.4° |
| C14 | C13 | N | 114.8° | 109.5° |
| C14 | C13 | H7 | 108.1° | 109.5° |
| C14 | C13 | H8 | 108.1° | 109.4° |
| C13 | C14 | H9 | 108.4° | 109.5° |
| C13 | C14 | H10 | 108.4° | 109.5° |
| C13 | N | C11 | 124.2° | 120.0° |
| C13 | N | H5 | 117.9° | 120.0° |
| N | C13 | H7 | 108.2° | 109.5° |
| N | C13 | H8 | 108.1° | 109.5° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C2 | C1 | C | 120.7° | 120.9° |
| C1 | C2 | H4 | 120.2° | 120.0° |
| C2 | C1 | H6 | 119.7° | 119.5° |
| C2 | C3 | C6 | 120.1° | 120.9° |
| C2 | C3 | C4 | 120.3° | 119.7° |
| C3 | C2 | H4 | 120.2° | 120.0° |
| C1 | C | C11 | 119.1° | 119.8° |
| C1 | C | C5 | 119.4° | 120.5° |
| C | C1 | H6 | 119.7° | 119.6° |
| O8 | C31 | C7 | 115.9° | 120.0° |
| O8 | C31 | N1 | 121.0° | 120.0° |
| C3 | C6 | C7 | 120.8° | 119.5° |
| C6 | C3 | C4 | 119.5° | 119.5° |
| C3 | C6 | H2 | 119.6° | 120.3° |
| C6 | C7 | C31 | 117.7° | 119.7° |
| C6 | C7 | C8 | 120.5° | 120.5° |
| C7 | C6 | H2 | 119.6° | 120.2° |
| N | C11 | C | 117.0° | 120.0° |
| N | C11 | O | 123.2° | 120.0° |
| C11 | N | H5 | 117.9° | 120.0° |
| C3 | C4 | C5 | 119.7° | 119.4° |
| C3 | C4 | C9 | 119.1° | 119.6° |
| C11 | C | C5 | 121.5° | 119.7° |
| C | C11 | O | 119.8° | 120.0° |
| C | C5 | C4 | 120.2° | 119.5° |
| C | C5 | H1 | 119.9° | 120.2° |
| C7 | C31 | N1 | 123.0° | 120.0° |
| C31 | C7 | C8 | 121.9° | 119.8° |
| C31 | N1 | C15 | 118.1° | 120.0° |
| C31 | N1 | H3 | 121.0° | 120.0° |
| C7 | C8 | C9 | 118.5° | 120.9° |
| C7 | C8 | H30 | 120.8° | 119.5° |
| C5 | C4 | C9 | 121.2° | 120.9° |
| C4 | C5 | H1 | 119.9° | 120.2° |
| C4 | C9 | C8 | 121.6° | 120.0° |
| C4 | C9 | H31 | 119.2° | 119.9° |
| N1 | C15 | C17 | 114.2° | 109.5° |
| C15 | N1 | H3 | 121.0° | 120.0° |
| N1 | C15 | H11 | 108.3° | 109.5° |
| N1 | C15 | H12 | 108.3° | 109.5° |
| C15 | C17 | O9 | 110.8° | 109.5° |
| C17 | C15 | H11 | 108.3° | 109.5° |
| C17 | C15 | H12 | 108.3° | 109.4° |
| C15 | C17 | H15 | 109.1° | 109.5° |
| C15 | C17 | H16 | 109.1° | 109.5° |
| O9 | C22 | C18 | 111.9° | 109.5° |
| C22 | O9 | C17 | 113.1° | 114.0° |
| O9 | C22 | H20 | 108.8° | 109.5° |
| O9 | C22 | H21 | 108.9° | 109.5° |
| C22 | C18 | O1M | 109.1° | 109.5° |
| C22 | C18 | H17 | 109.6° | 109.5° |
| C22 | C18 | H18 | 109.6° | 109.5° |
| C18 | C22 | H20 | 108.9° | 109.4° |
| C18 | C22 | H21 | 108.8° | 109.4° |
| C9 | C8 | H30 | 120.8° | 119.6° |
| C8 | C9 | H31 | 119.2° | 120.0° |
| O9 | C17 | H15 | 109.1° | 109.5° |
| O9 | C17 | H16 | 109.2° | 109.5° |
| C18 | O1M | C1M | 117.1° | 114.0° |
| O1M | C18 | H17 | 109.6° | 109.4° |
| O1M | C18 | H18 | 109.6° | 109.4° |
| O1M | C1M | O5M | 106.7° | 109.5° |
| O1M | C1M | C2M | 112.2° | 109.5° |
| O1M | C1M | H19 | 108.4° | 109.5° |
| O6M | C6M | C5M | 111.0° | 109.4° |
| O6M | C6M | H28 | 109.1° | 109.5° |
| O6M | C6M | H29 | 109.1° | 109.5° |
| C6M | O6M | H35 | 109.5° | 114.0° |
| C1M | O5M | C5M | 119.2° | 114.1° |
| O5M | C1M | C2M | 113.6° | 109.4° |
| O5M | C1M | H19 | 108.5° | 109.5° |
| O5M | C5M | C6M | 112.7° | 109.5° |
| O5M | C5M | C4M | 113.2° | 109.4° |
| O5M | C5M | H27 | 107.7° | 109.5° |
| C1M | C2M | O2M | 108.1° | 109.5° |
| C1M | C2M | C3M | 113.9° | 109.1° |
| C2M | C1M | H19 | 107.3° | 109.5° |
| C1M | C2M | H24 | 108.8° | 109.5° |
| C6M | C5M | C4M | 109.5° | 109.5° |
| C6M | C5M | H27 | 106.6° | 109.5° |
| C5M | C6M | H28 | 109.1° | 109.5° |
| C5M | C6M | H29 | 109.1° | 109.5° |
| C5M | C4M | C3M | 114.6° | 109.2° |
| C5M | C4M | O4M | 106.0° | 109.5° |
| C5M | C4M | H26 | 109.3° | 109.6° |
| C4M | C5M | H27 | 106.7° | 109.5° |
| O2M | C2M | C3M | 106.9° | 109.5° |
| O2M | C2M | H24 | 110.3° | 109.6° |
| C2M | O2M | H32 | 109.5° | 114.0° |
| C2M | C3M | C4M | 112.0° | 109.0° |
| C2M | C3M | O3M | 109.1° | 109.5° |
| C3M | C2M | H24 | 108.9° | 109.6° |
| C2M | C3M | H25 | 108.7° | 109.5° |
| C3M | C4M | O4M | 107.0° | 109.5° |
| C4M | C3M | O3M | 108.8° | 109.6° |
| C4M | C3M | H25 | 108.5° | 109.6° |
| C3M | C4M | H26 | 109.3° | 109.5° |
| O4M | C4M | H26 | 110.7° | 109.5° |
| C4M | O4M | H34 | 109.5° | 114.0° |
| O3M | C3M | H25 | 109.7° | 109.5° |
| C3M | O3M | H33 | 109.5° | 114.0° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H28 | C6M | H29 | 109.5° | 109.5° |
| H41 | C6M2 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3M2 | C3M2 | C4M2 | O4M2 | 69.3° | 63.3° |
| O3M2 | C3M2 | C4M2 | C2M2 | 123.4° | 119.8° |
| O3M2 | C3M2 | C4M2 | H38 | 117.6° | 120.3° |
| O3M2 | C3M2 | C2M2 | H38 | 120.2° | 120.2° |
| O3M2 | C3M2 | C4M2 | C5M2 | 173.1° | 176.8° |
| O3M2 | C3M2 | C2M2 | O2M2 | 41.8° | 56.9° |
| O3M2 | C3M2 | C2M2 | C1M2 | 163.4° | 176.8° |
| O3M2 | C3M2 | C2M2 | H37 | 77.8° | 63.2° |
| O3M2 | C3M2 | C4M2 | H39 | 51.0° | 56.8° |
| O4M2 | C4M2 | C3M2 | C5M2 | 117.6° | 119.9° |
| O4M2 | C4M2 | C3M2 | H39 | 120.2° | 120.1° |
| O4M2 | C4M2 | C3M2 | C2M2 | 167.3° | 176.9° |
| O4M2 | C4M2 | C5M2 | H39 | 120.8° | 120.2° |
| O4M2 | C4M2 | C5M2 | O5M2 | 120.5° | 177.5° |
| O4M2 | C4M2 | C5M2 | C6M2 | 118.7° | 62.5° |
| O4M2 | C4M2 | C3M2 | H38 | 48.4° | 57.0° |
| O4M2 | C4M2 | C5M2 | H40 | 0.0° | 57.6° |
| C4M2 | C3M2 | C2M2 | H38 | 119.1° | 119.9° |
| C3M2 | C4M2 | C5M2 | H39 | 122.2° | 120.0° |
| C4M2 | C3M2 | C2M2 | O2M2 | 78.8° | 63.0° |
| C4M2 | C3M2 | C2M2 | C1M2 | 42.7° | 57.0° |
| C3M2 | C4M2 | C5M2 | O5M2 | 3.4° | 57.6° |
| C3M2 | C4M2 | C5M2 | C6M2 | 124.3° | 177.6° |
| C4M2 | C3M2 | C2M2 | H37 | 161.5° | 176.9° |
| C3M2 | C4M2 | C5M2 | H40 | 117.0° | 62.3° |
| C4M2 | C3M2 | O3M2 | H44 | 180.0° | 179.9° |
| C3M2 | C4M2 | O4M2 | H45 | 180.0° | 60.0° |
| C2M2 | C3M2 | C4M2 | C5M2 | 49.7° | 57.0° |
| C3M2 | C2M2 | O2M2 | C1M2 | 123.8° | 119.7° |
| C3M2 | C2M2 | O2M2 | H37 | 118.8° | 120.2° |
| C3M2 | C2M2 | C1M2 | H37 | 118.8° | 120.0° |
| C3M2 | C2M2 | C1M2 | O5M2 | 9.8° | 57.6° |
| C3M2 | C2M2 | C1M2 | O1M2 | 125.8° | 62.4° |
| C3M2 | C2M2 | C1M2 | H36 | 113.0° | 177.6° |
| C2M2 | C3M2 | C4M2 | H39 | 72.4° | 63.0° |
| C3M2 | C2M2 | O2M2 | H43 | 180.0° | 179.7° |
| C2M2 | C3M2 | O3M2 | H44 | 56.6° | 60.4° |
| C4M2 | C5M2 | O5M2 | C6M2 | 122.7° | 120.0° |
| C4M2 | C5M2 | O5M2 | H40 | 119.7° | 119.9° |
| C4M2 | C5M2 | C6M2 | H40 | 118.7° | 120.0° |
| C4M2 | C5M2 | O5M2 | C1M2 | 54.3° | 61.1° |
| C4M2 | C5M2 | C6M2 | O6M2 | 114.3° | 175.0° |
| C5M2 | C4M2 | C3M2 | H38 | 69.2° | 62.9° |
| C4M2 | C5M2 | C6M2 | H41 | 5.5° | 55.0° |
| C4M2 | C5M2 | C6M2 | H42 | 125.9° | 65.0° |
| C5M2 | C4M2 | O4M2 | H45 | 59.4° | 179.7° |
| O2M2 | C2M2 | C1M2 | H37 | 118.1° | 120.0° |
| O2M2 | C2M2 | C1M2 | O5M2 | 132.8° | 62.4° |
| O2M2 | C2M2 | C1M2 | O1M2 | 111.1° | 177.6° |
| O2M2 | C2M2 | C1M2 | H36 | 10.1° | 57.6° |
| O2M2 | C2M2 | C3M2 | H38 | 162.0° | 177.1° |
| C2M2 | C1M2 | O5M2 | C5M2 | 61.3° | 61.1° |
| C2M2 | C1M2 | O5M2 | O1M2 | 117.3° | 119.9° |
| C2M2 | C1M2 | O5M2 | H36 | 121.9° | 120.0° |
| C2M2 | C1M2 | O1M2 | H36 | 120.3° | 120.0° |
| C2M2 | C1M2 | O1M2 | C29 | 68.8° | 170.0° |
| C1M2 | C2M2 | C3M2 | H38 | 76.5° | 63.0° |
| C1M2 | C2M2 | O2M2 | H43 | 56.2° | 60.0° |
| O5M2 | C5M2 | C6M2 | H40 | 118.4° | 120.0° |
| C5M2 | O5M2 | C1M2 | O1M2 | 178.6° | 58.8° |
| O5M2 | C5M2 | C6M2 | O6M2 | 122.8° | 65.0° |
| C5M2 | O5M2 | C1M2 | H36 | 60.5° | 178.8° |
| O5M2 | C5M2 | C4M2 | H39 | 118.7° | 62.4° |
| O5M2 | C5M2 | C6M2 | H41 | 117.5° | 174.9° |
| O5M2 | C5M2 | C6M2 | H42 | 3.0° | 54.9° |
| C6M2 | C5M2 | O5M2 | C1M2 | 68.4° | 178.9° |
| C5M2 | C6M2 | O6M2 | H41 | 119.8° | 120.0° |
| C5M2 | C6M2 | O6M2 | H42 | 119.8° | 119.9° |
| C6M2 | C5M2 | C4M2 | H39 | 2.1° | 57.7° |
| C5M2 | C6M2 | H41 | H42 | 120.7° | 120.0° |
| C5M2 | C6M2 | O6M2 | H46 | 180.0° | 180.0° |
| O5M2 | C1M2 | O1M2 | H36 | 120.9° | 120.0° |
| O5M2 | C1M2 | O1M2 | C29 | 50.0° | 70.0° |
| O5M2 | C1M2 | C2M2 | H37 | 109.0° | 177.6° |
| C1M2 | O5M2 | C5M2 | H40 | 174.0° | 58.8° |
| C1M2 | O1M2 | C29 | C16 | 112.0° | 180.0° |
| C1M2 | O1M2 | C29 | H22 | 128.0° | 60.0° |
| C1M2 | O1M2 | C29 | H23 | 8.0° | 60.0° |
| O1M2 | C1M2 | C2M2 | H37 | 7.0° | 57.6° |
| O6M2 | C6M2 | C5M2 | H40 | 4.4° | 55.0° |
| O6M2 | C6M2 | H41 | H42 | 120.7° | 120.0° |
| O1M2 | C29 | C16 | H22 | 120.0° | 120.0° |
| O1M2 | C29 | C16 | H23 | 119.9° | 120.0° |
| O1M2 | C29 | C16 | O1 | 179.3° | 65.0° |
| O1M2 | C29 | C16 | H13 | 58.9° | 175.0° |
| O1M2 | C29 | C16 | H14 | 60.3° | 55.0° |
| O1M2 | C29 | H22 | H23 | 120.1° | 120.0° |
| C29 | O1M2 | C1M2 | H36 | 170.9° | 50.0° |
| C29 | C16 | O1 | H13 | 120.4° | 120.0° |
| C29 | C16 | O1 | H14 | 120.4° | 120.0° |
| C29 | C16 | O1 | C14 | 101.2° | 180.0° |
| C29 | C16 | H13 | H14 | 118.7° | 120.0° |
| C16 | C29 | H22 | H23 | 120.1° | 120.0° |
| C16 | O1 | C14 | C13 | 25.3° | 180.0° |
| C16 | O1 | C14 | H9 | 95.3° | 60.0° |
| C16 | O1 | C14 | H10 | 146.0° | 60.0° |
| O1 | C16 | H13 | H14 | 118.7° | 120.0° |
| O1 | C16 | C29 | H22 | 60.8° | 175.0° |
| O1 | C16 | C29 | H23 | 59.3° | 55.0° |
| O1 | C14 | C13 | H9 | 120.7° | 120.0° |
| O1 | C14 | C13 | H10 | 120.6° | 120.0° |
| O1 | C14 | C13 | N | 84.7° | 65.0° |
| O1 | C14 | C13 | H7 | 36.1° | 175.0° |
| O1 | C14 | C13 | H8 | 154.5° | 55.0° |
| O1 | C14 | H9 | H10 | 118.0° | 119.9° |
| C14 | O1 | C16 | H13 | 138.4° | 60.0° |
| C14 | O1 | C16 | H14 | 19.2° | 60.0° |
| C14 | C13 | N | H7 | 120.8° | 120.0° |
| C14 | C13 | N | H8 | 120.8° | 120.0° |
| C14 | C13 | N | C11 | 88.3° | 180.0° |
| C14 | C13 | N | H5 | 91.7° | 0.0° |
| C14 | C13 | H7 | H8 | 117.6° | 120.0° |
| C13 | C14 | H9 | H10 | 118.0° | 120.0° |
| C13 | N | C11 | H5 | 180.0° | 180.0° |
| C13 | N | C11 | C | 110.3° | 180.0° |
| C13 | N | C11 | O | 69.1° | 0.0° |
| N | C13 | H7 | H8 | 117.6° | 120.0° |
| N | C13 | C14 | H9 | 154.6° | 175.0° |
| N | C13 | C14 | H10 | 35.9° | 55.0° |
| C1 | C2 | C3 | H4 | 180.0° | 179.9° |
| C2 | C1 | C | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C | C11 | 179.8° | 180.0° |
| C2 | C1 | C | C5 | 0.6° | 0.0° |
| C3 | C2 | C1 | C | 0.7° | 0.1° |
| C2 | C3 | C6 | C4 | 179.6° | 180.0° |
| C2 | C3 | C6 | C7 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C9 | 179.8° | 180.0° |
| C2 | C3 | C6 | H2 | 0.1° | 0.4° |
| C3 | C2 | C1 | H6 | 179.4° | 180.0° |
| C1 | C | C11 | N | 55.1° | 0.0° |
| C1 | C | C11 | C5 | 179.2° | 180.0° |
| C1 | C | C11 | O | 124.3° | 179.9° |
| C1 | C | C5 | C4 | 0.4° | 0.0° |
| C1 | C | C5 | H1 | 179.6° | 180.0° |
| C | C1 | C2 | H4 | 179.4° | 180.0° |
| O8 | C31 | C7 | C6 | 0.5° | 0.1° |
| O8 | C31 | C7 | N1 | 177.5° | 179.9° |
| O8 | C31 | C7 | C8 | 178.5° | 179.9° |
| O8 | C31 | N1 | C15 | 5.0° | 0.0° |
| O8 | C31 | N1 | H3 | 175.0° | 179.9° |
| C3 | C6 | C7 | H2 | 180.0° | 179.7° |
| C3 | C6 | C7 | C31 | 179.3° | 180.0° |
| C3 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C3 | C4 | C5 | 179.8° | 180.0° |
| C6 | C3 | C4 | C9 | 0.6° | 0.0° |
| C6 | C3 | C2 | H4 | 0.0° | 0.0° |
| C7 | C6 | C3 | C4 | 0.6° | 0.0° |
| C6 | C7 | C31 | C8 | 178.9° | 180.0° |
| C6 | C7 | C31 | N1 | 177.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H30 | 179.9° | 180.0° |
| N | C11 | C | O | 179.4° | 179.9° |
| N | C11 | C | C5 | 124.1° | 180.0° |
| C11 | N | C13 | H7 | 32.5° | 60.0° |
| C11 | N | C13 | H8 | 150.9° | 60.0° |
| C3 | C4 | C5 | C | 0.2° | 0.0° |
| C3 | C4 | C5 | C9 | 179.6° | 180.0° |
| C3 | C4 | C9 | C8 | 0.3° | 0.1° |
| C3 | C4 | C5 | H1 | 179.8° | 180.0° |
| C4 | C3 | C6 | H2 | 179.5° | 179.7° |
| C4 | C3 | C2 | H4 | 179.6° | 180.0° |
| C3 | C4 | C9 | H31 | 179.7° | 180.0° |
| C11 | C | C5 | C4 | 179.6° | 180.0° |
| C11 | C | C5 | H1 | 0.4° | 0.0° |
| C | C11 | N | H5 | 69.7° | 0.0° |
| C11 | C | C1 | H6 | 0.2° | 0.0° |
| C5 | C | C11 | O | 56.5° | 0.1° |
| C | C5 | C4 | H1 | 180.0° | 180.0° |
| C | C5 | C4 | C9 | 179.8° | 180.0° |
| C5 | C | C1 | H6 | 179.4° | 180.0° |
| O | C11 | N | H5 | 110.9° | 179.9° |
| C7 | C31 | N1 | C15 | 172.3° | 180.0° |
| C31 | C7 | C8 | C9 | 179.0° | 180.0° |
| C31 | C7 | C6 | H2 | 0.7° | 0.3° |
| C7 | C31 | N1 | H3 | 7.6° | 0.0° |
| C31 | C7 | C8 | H30 | 1.0° | 0.0° |
| N1 | C31 | C7 | C8 | 1.0° | 0.0° |
| C31 | N1 | C15 | H3 | 180.0° | 180.0° |
| C31 | N1 | C15 | C17 | 175.8° | 180.0° |
| C31 | N1 | C15 | H11 | 55.1° | 60.0° |
| C31 | N1 | C15 | H12 | 63.5° | 60.0° |
| C7 | C8 | C9 | C4 | 0.1° | 0.1° |
| C7 | C8 | C9 | H30 | 180.0° | 180.0° |
| C8 | C7 | C6 | H2 | 179.7° | 179.7° |
| C7 | C8 | C9 | H31 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 180.0° | 180.0° |
| C5 | C4 | C9 | H31 | 0.0° | 0.0° |
| C4 | C9 | C8 | H31 | 180.0° | 179.9° |
| C9 | C4 | C5 | H1 | 0.2° | 0.0° |
| C4 | C9 | C8 | H30 | 179.9° | 180.0° |
| N1 | C15 | C17 | H11 | 120.7° | 120.0° |
| N1 | C15 | C17 | H12 | 120.7° | 120.0° |
| N1 | C15 | C17 | O9 | 135.0° | 65.0° |
| N1 | C15 | H11 | H12 | 117.8° | 120.0° |
| N1 | C15 | C17 | H15 | 104.8° | 175.0° |
| N1 | C15 | C17 | H16 | 14.8° | 55.0° |
| C15 | C17 | O9 | C22 | 53.5° | 180.0° |
| C15 | C17 | O9 | H15 | 120.2° | 120.0° |
| C15 | C17 | O9 | H16 | 120.2° | 120.0° |
| C17 | C15 | N1 | H3 | 4.2° | 0.0° |
| C17 | C15 | H11 | H12 | 117.8° | 120.0° |
| C15 | C17 | H15 | H16 | 119.4° | 120.0° |
| O9 | C22 | C18 | H20 | 120.4° | 120.0° |
| O9 | C22 | C18 | H21 | 120.4° | 120.0° |
| O9 | C22 | C18 | O1M | 141.2° | 65.0° |
| C22 | O9 | C17 | H15 | 173.7° | 60.1° |
| C22 | O9 | C17 | H16 | 66.7° | 59.9° |
| O9 | C22 | C18 | H17 | 98.8° | 175.1° |
| O9 | C22 | C18 | H18 | 21.3° | 55.0° |
| O9 | C22 | H20 | H21 | 118.9° | 120.0° |
| C18 | C22 | O9 | C17 | 63.7° | 180.0° |
| C22 | C18 | O1M | H17 | 119.9° | 120.0° |
| C22 | C18 | O1M | H18 | 119.9° | 120.0° |
| C22 | C18 | O1M | C1M | 170.3° | 180.0° |
| C22 | C18 | H17 | H18 | 120.2° | 120.0° |
| C18 | C22 | H20 | H21 | 118.8° | 119.9° |
| O9 | C17 | C15 | H11 | 14.3° | 175.0° |
| O9 | C17 | C15 | H12 | 104.3° | 55.0° |
| O9 | C17 | H15 | H16 | 119.4° | 120.0° |
| C17 | O9 | C22 | H20 | 56.7° | 60.0° |
| C17 | O9 | C22 | H21 | 176.0° | 60.1° |
| C18 | O1M | C1M | O5M | 119.3° | 70.0° |
| C18 | O1M | C1M | C2M | 5.8° | 170.0° |
| O1M | C18 | H17 | H18 | 120.2° | 120.0° |
| C18 | O1M | C1M | H19 | 124.1° | 50.0° |
| O1M | C18 | C22 | H20 | 20.8° | 175.0° |
| O1M | C18 | C22 | H21 | 98.4° | 55.0° |
| O1M | C1M | O5M | C2M | 124.2° | 120.0° |
| O1M | C1M | O5M | H19 | 116.6° | 120.0° |
| O1M | C1M | O5M | C5M | 166.2° | 58.8° |
| O1M | C1M | C2M | H19 | 119.0° | 120.0° |
| O1M | C1M | C2M | O2M | 128.0° | 177.7° |
| O1M | C1M | C2M | C3M | 113.4° | 62.4° |
| C1M | O1M | C18 | H17 | 69.8° | 60.0° |
| C1M | O1M | C18 | H18 | 50.4° | 60.0° |
| O1M | C1M | C2M | H24 | 8.3° | 57.5° |
| O6M | C6M | C5M | O5M | 51.1° | 65.1° |
| O6M | C6M | C5M | H28 | 120.2° | 120.0° |
| O6M | C6M | C5M | H29 | 120.2° | 120.0° |
| O6M | C6M | C5M | C4M | 178.0° | 175.0° |
| O6M | C6M | C5M | H27 | 66.9° | 55.0° |
| O6M | C6M | H28 | H29 | 119.3° | 120.0° |
| O5M | C1M | C2M | H19 | 119.8° | 120.0° |
| C1M | O5M | C5M | C6M | 77.8° | 178.9° |
| C1M | O5M | C5M | C4M | 47.2° | 61.1° |
| O5M | C1M | C2M | O2M | 110.8° | 62.3° |
| O5M | C1M | C2M | C3M | 7.8° | 57.6° |
| O5M | C1M | C2M | H24 | 129.5° | 177.5° |
| C1M | O5M | C5M | H27 | 164.8° | 58.8° |
| C5M | O5M | C1M | C2M | 42.0° | 61.2° |
| O5M | C5M | C6M | C4M | 127.0° | 119.9° |
| O5M | C5M | C6M | H27 | 117.9° | 120.0° |
| O5M | C5M | C4M | H27 | 118.2° | 119.9° |
| O5M | C5M | C4M | C3M | 2.1° | 57.6° |
| O5M | C5M | C4M | O4M | 115.6° | 177.5° |
| C5M | O5M | C1M | H19 | 77.2° | 178.8° |
| O5M | C5M | C4M | H26 | 125.0° | 62.4° |
| O5M | C5M | C6M | H28 | 69.1° | 174.9° |
| O5M | C5M | C6M | H29 | 171.3° | 54.9° |
| C1M | C2M | O2M | C3M | 123.0° | 119.6° |
| C1M | C2M | O2M | H24 | 118.7° | 120.2° |
| C1M | C2M | C3M | H24 | 121.6° | 119.9° |
| C1M | C2M | C3M | C4M | 48.4° | 56.9° |
| C1M | C2M | C3M | O3M | 169.0° | 176.9° |
| C1M | C2M | C3M | H25 | 71.5° | 62.9° |
| C1M | C2M | O2M | H32 | 180.0° | 60.0° |
| C6M | C5M | C4M | H27 | 115.0° | 120.0° |
| C6M | C5M | C4M | C3M | 124.6° | 177.6° |
| C6M | C5M | C4M | O4M | 117.7° | 62.4° |
| C6M | C5M | C4M | H26 | 1.7° | 57.7° |
| C5M | C6M | H28 | H29 | 119.3° | 120.0° |
| C5M | C6M | O6M | H35 | 180.0° | 180.0° |
| C5M | C4M | C3M | C2M | 43.3° | 57.0° |
| C5M | C4M | C3M | O4M | 117.2° | 120.0° |
| C5M | C4M | C3M | H26 | 123.0° | 120.0° |
| C5M | C4M | O4M | H26 | 118.4° | 120.2° |
| C5M | C4M | C3M | O3M | 164.0° | 176.9° |
| C5M | C4M | C3M | H25 | 76.7° | 62.9° |
| C4M | C5M | C6M | H28 | 57.8° | 55.0° |
| C4M | C5M | C6M | H29 | 61.7° | 65.0° |
| C5M | C4M | O4M | H34 | 180.0° | 179.7° |
| O2M | C2M | C3M | H24 | 119.1° | 120.2° |
| O2M | C2M | C3M | C4M | 70.9° | 62.9° |
| O2M | C2M | C3M | O3M | 49.7° | 57.0° |
| O2M | C2M | C1M | H19 | 9.0° | 57.7° |
| O2M | C2M | C3M | H25 | 169.2° | 177.2° |
| C2M | C3M | C4M | O3M | 120.7° | 119.9° |
| C2M | C3M | C4M | H25 | 120.0° | 119.9° |
| C2M | C3M | C4M | O4M | 160.5° | 176.9° |
| C2M | C3M | O3M | H25 | 118.9° | 120.2° |
| C3M | C2M | C1M | H19 | 127.6° | 177.6° |
| C2M | C3M | C4M | H26 | 79.7° | 63.0° |
| C3M | C2M | O2M | H32 | 57.0° | 179.6° |
| C2M | C3M | O3M | H33 | 180.0° | 59.9° |
| C3M | C4M | O4M | H26 | 118.9° | 120.1° |
| C4M | C3M | O3M | H25 | 118.6° | 120.2° |
| C4M | C3M | C2M | H24 | 170.0° | 176.9° |
| C3M | C4M | C5M | H27 | 120.3° | 62.3° |
| C4M | C3M | O3M | H33 | 57.5° | 179.5° |
| C3M | C4M | O4M | H34 | 57.3° | 60.0° |
| O4M | C4M | C3M | O3M | 78.8° | 63.2° |
| O4M | C4M | C3M | H25 | 40.5° | 57.0° |
| O4M | C4M | C5M | H27 | 2.6° | 57.6° |
| O3M | C3M | C2M | H24 | 69.5° | 63.2° |
| O3M | C3M | C4M | H26 | 41.0° | 56.9° |
| H3 | N1 | C15 | H11 | 124.9° | 120.0° |
| H3 | N1 | C15 | H12 | 116.5° | 120.0° |
| H4 | C2 | C1 | H6 | 0.6° | 0.0° |
| H5 | N | C13 | H7 | 147.5° | 120.0° |
| H5 | N | C13 | H8 | 29.1° | 120.0° |
| H7 | C13 | C14 | H9 | 84.6° | 55.0° |
| H7 | C13 | C14 | H10 | 156.7° | 65.0° |
| H8 | C13 | C14 | H9 | 33.8° | 65.0° |
| H8 | C13 | C14 | H10 | 84.9° | 175.0° |
| H11 | C15 | C17 | H15 | 134.5° | 55.0° |
| H11 | C15 | C17 | H16 | 105.9° | 65.0° |
| H12 | C15 | C17 | H15 | 15.9° | 65.0° |
| H12 | C15 | C17 | H16 | 135.5° | 175.0° |
| H13 | C16 | C29 | H22 | 178.8° | 55.0° |
| H13 | C16 | C29 | H23 | 61.1° | 65.0° |
| H14 | C16 | C29 | H22 | 59.6° | 64.9° |
| H14 | C16 | C29 | H23 | 179.7° | 175.0° |
| H17 | C18 | C22 | H20 | 140.8° | 55.0° |
| H17 | C18 | C22 | H21 | 21.5° | 64.9° |
| H18 | C18 | C22 | H20 | 99.1° | 65.0° |
| H18 | C18 | C22 | H21 | 141.7° | 175.0° |
| H19 | C1M | C2M | H24 | 110.7° | 62.5° |
| H24 | C2M | C3M | H25 | 50.1° | 57.0° |
| H24 | C2M | O2M | H32 | 61.3° | 60.2° |
| H25 | C3M | C4M | H26 | 160.4° | 177.1° |
| H25 | C3M | O3M | H33 | 61.1° | 60.2° |
| H26 | C4M | C5M | H27 | 116.7° | 177.7° |
| H26 | C4M | O4M | H34 | 61.6° | 60.1° |
| H27 | C5M | C6M | H28 | 172.9° | 65.0° |
| H27 | C5M | C6M | H29 | 53.3° | 174.9° |
| H28 | C6M | O6M | H35 | 59.8° | 60.0° |
| H29 | C6M | O6M | H35 | 59.8° | 60.0° |
| H30 | C8 | C9 | H31 | 0.1° | 0.0° |
| H36 | C1M2 | C2M2 | H37 | 128.2° | 62.4° |
| H37 | C2M2 | C3M2 | H38 | 42.4° | 57.0° |
| H37 | C2M2 | O2M2 | H43 | 61.1° | 60.1° |
| H38 | C3M2 | C4M2 | H39 | 168.6° | 177.1° |
| H38 | C3M2 | O3M2 | H44 | 63.0° | 59.8° |
| H39 | C4M2 | C5M2 | H40 | 120.8° | 177.7° |
| H39 | C4M2 | O4M2 | H45 | 60.6° | 60.1° |
| H40 | C5M2 | C6M2 | H41 | 124.2° | 65.0° |
| H40 | C5M2 | C6M2 | H42 | 115.4° | 174.9° |
| H41 | C6M2 | O6M2 | H46 | 60.2° | 60.0° |
| H42 | C6M2 | O6M2 | H46 | 60.2° | 60.0° |
