A1EAW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3M | C3M | sing | 1.43Å | 1.43Å | |
| O2M | C2M | sing | 1.43Å | 1.43Å | |
| O6M | C6M | sing | 1.43Å | 1.43Å | |
| C4M | O4M | sing | 1.43Å | 1.43Å | |
| C4M | C3M | sing | 1.53Å | 1.52Å | |
| C4M | C5M | sing | 1.53Å | 1.52Å | |
| C3M | C2M | sing | 1.53Å | 1.52Å | |
| C2M | C1M | sing | 1.53Å | 1.52Å | |
| C6M | C5M | sing | 1.53Å | 1.52Å | |
| O5M | C5M | sing | 1.43Å | 1.43Å | |
| O5M | C1M | sing | 1.43Å | 1.43Å | |
| O3M2 | C3M2 | sing | 1.43Å | 1.43Å | |
| C1M | O1M | sing | 1.43Å | 1.43Å | |
| C33 | C20 | sing | 1.53Å | 1.52Å | |
| C33 | O1M2 | sing | 1.43Å | 1.43Å | |
| C3M2 | C2M2 | sing | 1.53Å | 1.52Å | |
| C3M2 | C4M2 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | O1 | sing | 1.43Å | 1.43Å | |
| C2M2 | O2M2 | sing | 1.43Å | 1.43Å | |
| C2M2 | C1M2 | sing | 1.53Å | 1.52Å | |
| C20 | O1 | sing | 1.43Å | 1.43Å | |
| O1M2 | C1M2 | sing | 1.43Å | 1.43Å | |
| C17 | N2 | sing | 1.47Å | 1.45Å | |
| O1M | C21 | sing | 1.43Å | 1.43Å | |
| O4M2 | C4M2 | sing | 1.43Å | 1.43Å | |
| C1M2 | O5M2 | sing | 1.43Å | 1.42Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | O8 | sing | 1.43Å | 1.43Å | |
| C4M2 | C5M2 | sing | 1.53Å | 1.52Å | |
| C19 | O8 | sing | 1.43Å | 1.43Å | |
| C19 | C16 | sing | 1.53Å | 1.52Å | |
| N2 | C15 | sing | 1.35Å | 1.33Å | |
| C5M2 | O5M2 | sing | 1.43Å | 1.42Å | |
| C5M2 | C6M2 | sing | 1.53Å | 1.52Å | |
| O | C15 | doub | 1.22Å | 1.22Å | |
| C16 | N3 | sing | 1.46Å | 1.45Å | |
| C15 | C5 | sing | 1.48Å | 1.50Å | |
| O6M2 | C6M2 | sing | 1.43Å | 1.43Å | |
| O7 | C13 | doub | 1.21Å | 1.22Å | |
| N3 | C13 | sing | 1.35Å | 1.33Å | |
| C5 | N | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.52Å | |
| N | C3 | sing | 1.33Å | 1.35Å | Aromatic |
| C | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| N1 | C12 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C9 | sing | 1.33Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C9 | doub | 1.47Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C1M | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C2M | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C3M | H24 | sing | 1.09Å | 1.10Å | |
| C4M | H25 | sing | 1.09Å | 1.10Å | |
| C5M | H26 | sing | 1.09Å | 1.10Å | |
| C6M | H27 | sing | 1.09Å | 1.10Å | |
| C6M | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.08Å | 1.08Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| N3 | H31 | sing | 0.97Å | 1.00Å | |
| 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) |
| O3M | C3M | C4M | 109.6° | 109.6° |
| O3M | C3M | C2M | 109.6° | 109.5° |
| O3M | C3M | H24 | 109.8° | 109.5° |
| C3M | O3M | H33 | 109.5° | 114.0° |
| O2M | C2M | C3M | 109.4° | 109.6° |
| O2M | C2M | C1M | 109.5° | 109.5° |
| O2M | C2M | H21 | 109.7° | 109.5° |
| C2M | O2M | H32 | 109.5° | 114.0° |
| O6M | C6M | C5M | 109.4° | 109.5° |
| O6M | C6M | H27 | 109.5° | 109.5° |
| O6M | C6M | H28 | 109.5° | 109.4° |
| C6M | O6M | H35 | 109.5° | 114.0° |
| O4M | C4M | C3M | 109.5° | 109.5° |
| O4M | C4M | C5M | 109.5° | 109.5° |
| O4M | C4M | H25 | 109.8° | 109.5° |
| C4M | O4M | H34 | 109.5° | 114.0° |
| C3M | C4M | C5M | 110.9° | 109.2° |
| C4M | C3M | C2M | 110.8° | 109.1° |
| C4M | C3M | H24 | 108.5° | 109.5° |
| C3M | C4M | H25 | 108.6° | 109.5° |
| C4M | C5M | C6M | 111.0° | 109.5° |
| C4M | C5M | O5M | 109.4° | 109.5° |
| C5M | C4M | H25 | 108.5° | 109.5° |
| C4M | C5M | H26 | 108.5° | 109.5° |
| C3M | C2M | C1M | 111.1° | 109.2° |
| C3M | C2M | H21 | 108.5° | 109.6° |
| C2M | C3M | H24 | 108.5° | 109.5° |
| C2M | C1M | O5M | 109.5° | 109.4° |
| C2M | C1M | O1M | 109.5° | 109.5° |
| C2M | C1M | H14 | 108.6° | 109.5° |
| C1M | C2M | H21 | 108.5° | 109.5° |
| C6M | C5M | O5M | 109.5° | 109.5° |
| C6M | C5M | H26 | 108.6° | 109.4° |
| C5M | C6M | H27 | 109.5° | 109.5° |
| C5M | C6M | H28 | 109.5° | 109.5° |
| C5M | O5M | C1M | 111.9° | 114.1° |
| O5M | C5M | H26 | 109.8° | 109.5° |
| O5M | C1M | O1M | 109.4° | 109.5° |
| O5M | C1M | H14 | 109.9° | 109.5° |
| O3M2 | C3M2 | C2M2 | 109.4° | 109.5° |
| O3M2 | C3M2 | C4M2 | 109.4° | 109.6° |
| O3M2 | C3M2 | H38 | 109.7° | 109.7° |
| C3M2 | O3M2 | H44 | 109.5° | 114.0° |
| C1M | O1M | C21 | 111.8° | 114.0° |
| O1M | C1M | H14 | 109.9° | 109.5° |
| C20 | C33 | O1M2 | 109.5° | 109.4° |
| C33 | C20 | O1 | 109.5° | 109.5° |
| C33 | C20 | H15 | 109.5° | 109.4° |
| C33 | C20 | H16 | 109.5° | 109.5° |
| C20 | C33 | H22 | 109.5° | 109.5° |
| C20 | C33 | H23 | 109.5° | 109.5° |
| C33 | O1M2 | C1M2 | 111.8° | 114.0° |
| O1M2 | C33 | H22 | 109.5° | 109.5° |
| O1M2 | C33 | H23 | 109.5° | 109.5° |
| C2M2 | C3M2 | C4M2 | 111.2° | 109.0° |
| C3M2 | C2M2 | O2M2 | 109.6° | 109.5° |
| C3M2 | C2M2 | C1M2 | 110.3° | 109.2° |
| C3M2 | C2M2 | H37 | 108.7° | 109.6° |
| C2M2 | C3M2 | H38 | 108.5° | 109.5° |
| C3M2 | C4M2 | O4M2 | 108.7° | 109.5° |
| C3M2 | C4M2 | C5M2 | 112.1° | 109.2° |
| C4M2 | C3M2 | H38 | 108.5° | 109.6° |
| C3M2 | C4M2 | H39 | 108.7° | 109.6° |
| C17 | C18 | O1 | 109.6° | 109.4° |
| C18 | C17 | N2 | 112.0° | 109.5° |
| C18 | C17 | H8 | 108.8° | 109.5° |
| C18 | C17 | H9 | 108.8° | 109.5° |
| C17 | C18 | H10 | 109.4° | 109.5° |
| C17 | C18 | H11 | 109.5° | 109.5° |
| C18 | O1 | C20 | 111.8° | 114.0° |
| O1 | C18 | H10 | 109.4° | 109.5° |
| O1 | C18 | H11 | 109.4° | 109.5° |
| O2M2 | C2M2 | C1M2 | 109.6° | 109.5° |
| O2M2 | C2M2 | H37 | 109.9° | 109.5° |
| C2M2 | O2M2 | H43 | 109.5° | 114.0° |
| C2M2 | C1M2 | O1M2 | 109.5° | 109.5° |
| C2M2 | C1M2 | O5M2 | 109.3° | 109.5° |
| C2M2 | C1M2 | H36 | 108.7° | 109.5° |
| C1M2 | C2M2 | H37 | 108.7° | 109.5° |
| O1 | C20 | H15 | 109.4° | 109.5° |
| O1 | C20 | H16 | 109.5° | 109.5° |
| O1M2 | C1M2 | O5M2 | 109.5° | 109.5° |
| O1M2 | C1M2 | H36 | 109.9° | 109.4° |
| C17 | N2 | C15 | 121.5° | 120.0° |
| N2 | C17 | H8 | 108.8° | 109.5° |
| N2 | C17 | H9 | 108.8° | 109.5° |
| C17 | N2 | H30 | 119.3° | 120.0° |
| O1M | C21 | C22 | 109.4° | 109.5° |
| O1M | C21 | H17 | 109.5° | 109.4° |
| O1M | C21 | H18 | 109.5° | 109.5° |
| O4M2 | C4M2 | C5M2 | 108.5° | 109.5° |
| O4M2 | C4M2 | H39 | 110.0° | 109.6° |
| C4M2 | O4M2 | H45 | 109.5° | 114.0° |
| C1M2 | O5M2 | C5M2 | 111.0° | 114.1° |
| O5M2 | C1M2 | H36 | 110.0° | 109.5° |
| C21 | C22 | O8 | 109.5° | 109.5° |
| C22 | C21 | H17 | 109.5° | 109.5° |
| C22 | C21 | H18 | 109.5° | 109.5° |
| C21 | C22 | H19 | 109.5° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.5° |
| C22 | O8 | C19 | 111.8° | 114.0° |
| O8 | C22 | H19 | 109.5° | 109.5° |
| O8 | C22 | H20 | 109.5° | 109.5° |
| C4M2 | C5M2 | O5M2 | 109.6° | 109.4° |
| C4M2 | C5M2 | C6M2 | 110.9° | 109.5° |
| C5M2 | C4M2 | H39 | 108.7° | 109.5° |
| C4M2 | C5M2 | H40 | 108.4° | 109.4° |
| O8 | C19 | C16 | 109.4° | 109.5° |
| O8 | C19 | H12 | 109.5° | 109.5° |
| O8 | C19 | H13 | 109.5° | 109.5° |
| C19 | C16 | N3 | 112.0° | 109.5° |
| C19 | C16 | H6 | 108.8° | 109.5° |
| C19 | C16 | H7 | 108.8° | 109.4° |
| C16 | C19 | H12 | 109.5° | 109.5° |
| C16 | C19 | H13 | 109.5° | 109.4° |
| N2 | C15 | O | 121.8° | 120.0° |
| N2 | C15 | C5 | 118.8° | 120.0° |
| C15 | N2 | H30 | 119.2° | 120.0° |
| O5M2 | C5M2 | C6M2 | 109.5° | 109.5° |
| O5M2 | C5M2 | H40 | 109.9° | 109.5° |
| C5M2 | C6M2 | O6M2 | 109.4° | 109.5° |
| C6M2 | C5M2 | H40 | 108.5° | 109.5° |
| C5M2 | C6M2 | H41 | 109.5° | 109.5° |
| C5M2 | C6M2 | H42 | 109.5° | 109.5° |
| O | C15 | C5 | 119.4° | 120.0° |
| C16 | N3 | C13 | 121.6° | 120.0° |
| N3 | C16 | H6 | 108.9° | 109.5° |
| N3 | C16 | H7 | 108.8° | 109.5° |
| C16 | N3 | H31 | 119.2° | 120.1° |
| C15 | C5 | N | 119.8° | 119.4° |
| C15 | C5 | C | 119.7° | 119.4° |
| O6M2 | C6M2 | H41 | 109.5° | 109.5° |
| O6M2 | C6M2 | H42 | 109.5° | 109.5° |
| C6M2 | O6M2 | H46 | 109.5° | 114.0° |
| O7 | C13 | N3 | 121.9° | 120.0° |
| O7 | C13 | C12 | 119.3° | 120.0° |
| N3 | C13 | C12 | 118.8° | 120.0° |
| C13 | N3 | H31 | 119.2° | 119.9° |
| N | C5 | C | 120.4° | 121.2° |
| C5 | N | C3 | 121.0° | 121.4° |
| C5 | C | C1 | 119.5° | 119.8° |
| C5 | C | H3 | 120.2° | 120.1° |
| C13 | C12 | N1 | 122.3° | 119.4° |
| C13 | C12 | C11 | 118.9° | 119.4° |
| N | C3 | C9 | 119.9° | 121.2° |
| N | C3 | C2 | 120.3° | 120.3° |
| C | C1 | C2 | 119.1° | 118.4° |
| C | C1 | H1 | 120.5° | 120.8° |
| C1 | C | H3 | 120.2° | 120.2° |
| C12 | N1 | C9 | 122.3° | 121.3° |
| N1 | C12 | C11 | 118.8° | 121.2° |
| N1 | C9 | C3 | 120.4° | 121.2° |
| N1 | C9 | C8 | 119.4° | 120.3° |
| C12 | C11 | C10 | 120.1° | 119.8° |
| C12 | C11 | H5 | 119.9° | 120.1° |
| C9 | C3 | C2 | 119.7° | 118.5° |
| C3 | C9 | C8 | 120.1° | 118.5° |
| C3 | C2 | C1 | 119.6° | 118.9° |
| C3 | C2 | C6 | 120.2° | 120.2° |
| C9 | C8 | C10 | 119.6° | 119.0° |
| C9 | C8 | C7 | 120.1° | 120.1° |
| C1 | C2 | C6 | 120.2° | 120.9° |
| C2 | C1 | H1 | 120.5° | 120.8° |
| C2 | C6 | C7 | 120.0° | 121.4° |
| C2 | C6 | H2 | 120.0° | 119.3° |
| C11 | C10 | C8 | 119.7° | 118.3° |
| C11 | C10 | H4 | 120.1° | 120.8° |
| C10 | C11 | H5 | 120.0° | 120.1° |
| C10 | C8 | C7 | 120.3° | 120.9° |
| C8 | C10 | H4 | 120.1° | 120.9° |
| C8 | C7 | C6 | 119.8° | 121.4° |
| C8 | C7 | H29 | 120.1° | 119.3° |
| C7 | C6 | H2 | 120.0° | 119.3° |
| C6 | C7 | H29 | 120.1° | 119.3° |
| H6 | C16 | H7 | 109.5° | 109.4° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.4° | 109.5° |
| H27 | C6M | H28 | 109.5° | 109.4° |
| H41 | C6M2 | H42 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3M | C3M | C2M | O2M | 49.6° | 57.0° |
| O3M | C3M | C4M | O4M | 68.0° | 63.2° |
| O3M | C3M | C4M | C2M | 121.1° | 119.9° |
| O3M | C3M | C4M | H24 | 119.9° | 120.2° |
| O3M | C3M | C4M | C5M | 171.0° | 176.9° |
| O3M | C3M | C2M | H24 | 119.8° | 120.1° |
| O3M | C3M | C2M | C1M | 170.7° | 177.0° |
| O3M | C3M | C2M | H21 | 70.1° | 63.1° |
| O3M | C3M | C4M | H25 | 51.8° | 56.9° |
| O2M | C2M | C3M | C4M | 71.5° | 63.0° |
| O2M | C2M | C3M | C1M | 121.1° | 119.9° |
| O2M | C2M | C3M | H21 | 119.7° | 120.1° |
| O2M | C2M | C1M | H21 | 119.8° | 120.1° |
| O2M | C2M | C1M | O5M | 65.3° | 62.4° |
| O2M | C2M | C1M | O1M | 174.7° | 177.6° |
| O2M | C2M | C1M | H14 | 54.7° | 57.7° |
| O2M | C2M | C3M | H24 | 169.4° | 177.1° |
| O6M | C6M | C5M | C4M | 51.6° | 175.0° |
| O6M | C6M | C5M | H27 | 120.0° | 120.1° |
| O6M | C6M | C5M | H28 | 120.0° | 120.0° |
| O6M | C6M | C5M | O5M | 69.3° | 65.0° |
| O6M | C6M | C5M | H26 | 170.8° | 55.0° |
| O6M | C6M | H27 | H28 | 120.0° | 119.9° |
| O4M | C4M | C3M | C5M | 121.0° | 119.9° |
| O4M | C4M | C3M | H25 | 119.9° | 120.1° |
| O4M | C4M | C5M | H25 | 119.9° | 120.2° |
| O4M | C4M | C3M | C2M | 170.9° | 176.9° |
| O4M | C4M | C5M | C6M | 61.6° | 62.5° |
| O4M | C4M | C5M | O5M | 177.4° | 177.5° |
| O4M | C4M | C3M | H24 | 51.8° | 57.0° |
| O4M | C4M | C5M | H26 | 57.6° | 57.5° |
| C3M | C4M | C5M | H25 | 119.1° | 119.9° |
| C4M | C3M | C2M | H24 | 119.1° | 119.9° |
| C4M | C3M | C2M | C1M | 49.6° | 57.0° |
| C3M | C4M | C5M | C6M | 177.4° | 177.6° |
| C3M | C4M | C5M | O5M | 56.5° | 57.5° |
| C4M | C3M | C2M | H21 | 168.8° | 176.9° |
| C3M | C4M | C5M | H26 | 63.3° | 62.5° |
| C4M | C3M | O3M | H33 | 180.0° | 179.7° |
| C3M | C4M | O4M | H34 | 180.0° | 60.0° |
| C5M | C4M | C3M | C2M | 49.9° | 56.9° |
| C4M | C5M | C6M | O5M | 120.9° | 120.0° |
| C4M | C5M | C6M | H26 | 119.2° | 120.0° |
| C4M | C5M | O5M | H26 | 119.0° | 120.0° |
| C4M | C5M | O5M | C1M | 64.6° | 61.1° |
| C5M | C4M | C3M | H24 | 69.2° | 63.0° |
| C4M | C5M | C6M | H27 | 68.4° | 54.9° |
| C4M | C5M | C6M | H28 | 171.6° | 65.0° |
| C5M | C4M | O4M | H34 | 58.2° | 179.7° |
| C3M | C2M | C1M | H21 | 119.2° | 120.0° |
| C3M | C2M | C1M | O5M | 55.7° | 57.6° |
| C3M | C2M | C1M | O1M | 64.2° | 62.4° |
| C3M | C2M | C1M | H14 | 175.7° | 177.6° |
| C2M | C3M | C4M | H25 | 69.2° | 63.0° |
| C3M | C2M | O2M | H32 | 180.0° | 179.7° |
| C2M | C3M | O3M | H33 | 58.2° | 60.0° |
| C2M | C1M | O5M | C5M | 64.2° | 61.1° |
| C2M | C1M | O5M | O1M | 120.0° | 120.0° |
| C2M | C1M | O5M | H14 | 119.2° | 120.0° |
| C2M | C1M | O1M | H14 | 119.2° | 120.0° |
| C2M | C1M | O1M | C21 | 70.1° | 170.1° |
| C1M | C2M | C3M | H24 | 69.5° | 62.9° |
| C1M | C2M | O2M | H32 | 58.0° | 60.0° |
| C6M | C5M | O5M | H26 | 119.1° | 120.0° |
| C6M | C5M | O5M | C1M | 173.5° | 178.8° |
| C6M | C5M | C4M | H25 | 58.3° | 57.7° |
| C5M | C6M | H27 | H28 | 120.0° | 120.0° |
| C5M | C6M | O6M | H35 | 180.0° | 180.0° |
| C5M | O5M | C1M | O1M | 55.8° | 58.9° |
| C5M | O5M | C1M | H14 | 176.6° | 178.9° |
| O5M | C5M | C4M | H25 | 62.7° | 62.4° |
| O5M | C5M | C6M | H27 | 170.7° | 175.0° |
| O5M | C5M | C6M | H28 | 50.7° | 55.0° |
| O5M | C1M | O1M | H14 | 120.8° | 120.1° |
| O5M | C1M | O1M | C21 | 169.8° | 70.0° |
| O5M | C1M | C2M | H21 | 174.9° | 177.6° |
| C1M | O5M | C5M | H26 | 54.4° | 58.9° |
| O3M2 | C3M2 | C2M2 | C4M2 | 121.0° | 119.9° |
| O3M2 | C3M2 | C2M2 | H38 | 119.7° | 120.3° |
| O3M2 | C3M2 | C4M2 | H38 | 119.7° | 120.3° |
| O3M2 | C3M2 | C2M2 | O2M2 | 49.0° | 56.9° |
| O3M2 | C3M2 | C2M2 | C1M2 | 169.8° | 176.8° |
| O3M2 | C3M2 | C4M2 | O4M2 | 72.1° | 63.3° |
| O3M2 | C3M2 | C4M2 | C5M2 | 167.9° | 176.9° |
| O3M2 | C3M2 | C2M2 | H37 | 71.1° | 63.2° |
| O3M2 | C3M2 | C4M2 | H39 | 47.6° | 56.9° |
| C1M | O1M | C21 | C22 | 105.1° | 180.0° |
| C1M | O1M | C21 | H17 | 134.9° | 60.0° |
| C1M | O1M | C21 | H18 | 14.9° | 60.0° |
| O1M | C1M | C2M | H21 | 54.9° | 57.6° |
| C20 | C33 | O1M2 | H22 | 120.0° | 120.0° |
| C20 | C33 | O1M2 | H23 | 120.0° | 120.0° |
| C33 | C20 | O1 | C18 | 49.4° | 175.0° |
| C33 | C20 | O1 | H15 | 120.0° | 119.9° |
| C33 | C20 | O1 | H16 | 120.0° | 120.0° |
| C20 | C33 | O1M2 | C1M2 | 126.0° | 180.0° |
| C33 | C20 | H15 | H16 | 120.0° | 120.0° |
| C20 | C33 | H22 | H23 | 120.0° | 120.0° |
| C33 | O1M2 | C1M2 | C2M2 | 104.0° | 170.1° |
| O1M2 | C33 | C20 | O1 | 126.4° | 65.0° |
| C33 | O1M2 | C1M2 | O5M2 | 136.3° | 70.0° |
| O1M2 | C33 | C20 | H15 | 113.7° | 175.0° |
| O1M2 | C33 | C20 | H16 | 6.3° | 55.0° |
| O1M2 | C33 | H22 | H23 | 120.0° | 120.0° |
| C33 | O1M2 | C1M2 | H36 | 15.3° | 50.0° |
| C2M2 | C3M2 | C4M2 | H38 | 119.3° | 119.8° |
| C3M2 | C2M2 | O2M2 | C1M2 | 121.2° | 119.7° |
| C3M2 | C2M2 | O2M2 | H37 | 119.4° | 120.2° |
| C3M2 | C2M2 | C1M2 | H37 | 119.1° | 120.0° |
| C3M2 | C2M2 | C1M2 | O1M2 | 61.5° | 62.4° |
| C2M2 | C3M2 | C4M2 | O4M2 | 166.9° | 176.9° |
| C3M2 | C2M2 | C1M2 | O5M2 | 58.4° | 57.6° |
| C2M2 | C3M2 | C4M2 | C5M2 | 46.9° | 57.0° |
| C3M2 | C2M2 | C1M2 | H36 | 178.4° | 177.6° |
| C2M2 | C3M2 | C4M2 | H39 | 73.4° | 62.9° |
| C3M2 | C2M2 | O2M2 | H43 | 180.0° | 179.7° |
| C2M2 | C3M2 | O3M2 | H44 | 180.0° | 60.0° |
| C4M2 | C3M2 | C2M2 | O2M2 | 72.0° | 62.9° |
| C4M2 | C3M2 | C2M2 | C1M2 | 48.8° | 57.0° |
| C3M2 | C4M2 | O4M2 | C5M2 | 122.2° | 119.7° |
| C3M2 | C4M2 | O4M2 | H39 | 118.9° | 120.2° |
| C3M2 | C4M2 | C5M2 | H39 | 120.2° | 120.0° |
| C3M2 | C4M2 | C5M2 | O5M2 | 53.5° | 57.6° |
| C3M2 | C4M2 | C5M2 | C6M2 | 174.6° | 177.6° |
| C4M2 | C3M2 | C2M2 | H37 | 167.9° | 176.9° |
| C3M2 | C4M2 | C5M2 | H40 | 66.4° | 62.3° |
| C4M2 | C3M2 | O3M2 | H44 | 57.9° | 179.5° |
| C3M2 | C4M2 | O4M2 | H45 | 180.0° | 60.0° |
| C17 | C18 | O1 | H10 | 120.0° | 120.0° |
| C17 | C18 | O1 | H11 | 120.0° | 120.0° |
| C17 | C18 | O1 | C20 | 94.6° | 175.0° |
| C18 | C17 | N2 | H8 | 120.4° | 120.0° |
| C18 | C17 | N2 | H9 | 120.4° | 120.0° |
| C18 | C17 | N2 | C15 | 137.4° | 175.1° |
| C18 | C17 | H8 | H9 | 118.8° | 120.0° |
| C17 | C18 | H10 | H11 | 120.0° | 120.0° |
| C18 | C17 | N2 | H30 | 42.6° | 5.0° |
| O1 | C18 | C17 | N2 | 30.3° | 65.4° |
| O1 | C18 | C17 | H8 | 90.1° | 174.6° |
| O1 | C18 | C17 | H9 | 150.7° | 54.7° |
| O1 | C18 | H10 | H11 | 119.9° | 120.0° |
| C18 | O1 | C20 | H15 | 70.5° | 65.0° |
| C18 | O1 | C20 | H16 | 169.4° | 55.1° |
| O2M2 | C2M2 | C1M2 | H37 | 120.2° | 120.1° |
| O2M2 | C2M2 | C1M2 | O1M2 | 177.7° | 177.7° |
| O2M2 | C2M2 | C1M2 | O5M2 | 62.4° | 62.3° |
| O2M2 | C2M2 | C1M2 | H36 | 57.6° | 57.7° |
| O2M2 | C2M2 | C3M2 | H38 | 168.8° | 177.2° |
| C2M2 | C1M2 | O1M2 | O5M2 | 119.7° | 120.0° |
| C2M2 | C1M2 | O1M2 | H36 | 119.3° | 120.0° |
| C2M2 | C1M2 | O5M2 | H36 | 119.2° | 120.0° |
| C2M2 | C1M2 | O5M2 | C5M2 | 67.2° | 61.1° |
| C1M2 | C2M2 | C3M2 | H38 | 70.4° | 62.9° |
| C1M2 | C2M2 | O2M2 | H43 | 58.9° | 60.0° |
| C20 | O1 | C18 | H10 | 145.4° | 65.0° |
| C20 | O1 | C18 | H11 | 25.5° | 55.0° |
| O1 | C20 | H15 | H16 | 120.0° | 120.1° |
| O1 | C20 | C33 | H22 | 113.6° | 175.0° |
| O1 | C20 | C33 | H23 | 6.4° | 55.0° |
| O1M2 | C1M2 | O5M2 | H36 | 120.9° | 120.0° |
| O1M2 | C1M2 | O5M2 | C5M2 | 52.6° | 58.9° |
| C1M2 | O1M2 | C33 | H22 | 114.0° | 60.0° |
| C1M2 | O1M2 | C33 | H23 | 5.9° | 60.0° |
| O1M2 | C1M2 | C2M2 | H37 | 57.5° | 57.6° |
| C17 | N2 | C15 | H30 | 180.0° | 180.0° |
| C17 | N2 | C15 | O | 31.3° | 5.0° |
| C17 | N2 | C15 | C5 | 148.8° | 175.0° |
| N2 | C17 | H8 | H9 | 118.8° | 120.0° |
| N2 | C17 | C18 | H10 | 89.7° | 174.7° |
| N2 | C17 | C18 | H11 | 150.3° | 54.7° |
| O1M | C21 | C22 | H17 | 120.0° | 120.0° |
| O1M | C21 | C22 | H18 | 120.0° | 120.1° |
| O1M | C21 | C22 | O8 | 83.1° | 65.0° |
| C21 | O1M | C1M | H14 | 49.1° | 50.1° |
| O1M | C21 | H17 | H18 | 120.0° | 120.0° |
| O1M | C21 | C22 | H19 | 156.9° | 175.0° |
| O1M | C21 | C22 | H20 | 36.9° | 55.0° |
| O4M2 | C4M2 | C5M2 | H39 | 119.7° | 120.1° |
| O4M2 | C4M2 | C5M2 | O5M2 | 173.6° | 177.5° |
| O4M2 | C4M2 | C5M2 | C6M2 | 65.4° | 62.5° |
| O4M2 | C4M2 | C3M2 | H38 | 47.6° | 57.1° |
| O4M2 | C4M2 | C5M2 | H40 | 53.7° | 57.6° |
| C1M2 | O5M2 | C5M2 | C4M2 | 64.2° | 61.1° |
| C1M2 | O5M2 | C5M2 | C6M2 | 173.9° | 178.9° |
| O5M2 | C1M2 | C2M2 | H37 | 177.4° | 177.6° |
| C1M2 | O5M2 | C5M2 | H40 | 54.8° | 58.8° |
| C21 | C22 | O8 | H19 | 120.0° | 120.0° |
| C21 | C22 | O8 | H20 | 120.0° | 120.0° |
| C21 | C22 | O8 | C19 | 107.8° | 175.0° |
| C22 | C21 | H17 | H18 | 120.0° | 120.0° |
| C21 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | O8 | C19 | C16 | 123.8° | 175.0° |
| C22 | O8 | C19 | H12 | 116.2° | 65.0° |
| C22 | O8 | C19 | H13 | 3.9° | 55.0° |
| O8 | C22 | C21 | H17 | 36.9° | 175.0° |
| O8 | C22 | C21 | H18 | 156.9° | 55.0° |
| O8 | C22 | H19 | H20 | 120.0° | 120.0° |
| C4M2 | C5M2 | O5M2 | C6M2 | 121.9° | 120.0° |
| C4M2 | C5M2 | O5M2 | H40 | 119.1° | 119.9° |
| C4M2 | C5M2 | C6M2 | H40 | 119.0° | 120.0° |
| C4M2 | C5M2 | C6M2 | O6M2 | 51.4° | 175.0° |
| C5M2 | C4M2 | C3M2 | H38 | 72.4° | 62.8° |
| C4M2 | C5M2 | C6M2 | H41 | 68.6° | 55.0° |
| C4M2 | C5M2 | C6M2 | H42 | 171.4° | 65.0° |
| C5M2 | C4M2 | O4M2 | H45 | 57.8° | 179.7° |
| O8 | C19 | C16 | H12 | 120.0° | 120.1° |
| O8 | C19 | C16 | H13 | 120.0° | 120.0° |
| O8 | C19 | C16 | N3 | 41.8° | 65.3° |
| O8 | C19 | C16 | H6 | 162.1° | 174.6° |
| O8 | C19 | C16 | H7 | 78.6° | 54.7° |
| O8 | C19 | H12 | H13 | 120.0° | 120.0° |
| C19 | O8 | C22 | H19 | 132.2° | 65.0° |
| C19 | O8 | C22 | H20 | 12.2° | 55.1° |
| C19 | C16 | N3 | H6 | 120.4° | 120.1° |
| C19 | C16 | N3 | H7 | 120.4° | 120.0° |
| C19 | C16 | N3 | C13 | 72.6° | 175.0° |
| C19 | C16 | H6 | H7 | 118.8° | 119.9° |
| C16 | C19 | H12 | H13 | 120.1° | 119.9° |
| C19 | C16 | N3 | H31 | 107.4° | 4.9° |
| N2 | C15 | O | C5 | 180.0° | 179.9° |
| N2 | C15 | C5 | N | 47.6° | 174.6° |
| N2 | C15 | C5 | C | 132.4° | 5.1° |
| C15 | N2 | C17 | H8 | 102.3° | 65.0° |
| C15 | N2 | C17 | H9 | 17.0° | 55.0° |
| O5M2 | C5M2 | C6M2 | H40 | 119.9° | 120.1° |
| O5M2 | C5M2 | C6M2 | O6M2 | 172.5° | 65.1° |
| C5M2 | O5M2 | C1M2 | H36 | 173.6° | 178.8° |
| O5M2 | C5M2 | C4M2 | H39 | 66.7° | 62.4° |
| O5M2 | C5M2 | C6M2 | H41 | 52.5° | 174.9° |
| O5M2 | C5M2 | C6M2 | H42 | 67.5° | 55.0° |
| C5M2 | C6M2 | O6M2 | H41 | 120.0° | 120.0° |
| C5M2 | C6M2 | O6M2 | H42 | 120.0° | 120.0° |
| C6M2 | C5M2 | C4M2 | H39 | 54.3° | 57.6° |
| C5M2 | C6M2 | H41 | H42 | 120.0° | 120.0° |
| C5M2 | C6M2 | O6M2 | H46 | 180.0° | 180.0° |
| O | C15 | C5 | N | 132.4° | 5.5° |
| O | C15 | C5 | C | 47.6° | 174.8° |
| O | C15 | N2 | H30 | 148.7° | 175.0° |
| C16 | N3 | C13 | O7 | 38.7° | 5.0° |
| C16 | N3 | C13 | H31 | 180.0° | 180.0° |
| C16 | N3 | C13 | C12 | 141.4° | 175.0° |
| N3 | C16 | H6 | H7 | 118.9° | 120.0° |
| N3 | C16 | C19 | H12 | 78.2° | 174.6° |
| N3 | C16 | C19 | H13 | 161.7° | 54.7° |
| C15 | C5 | N | C | 180.0° | 179.7° |
| C15 | C5 | N | C3 | 180.0° | 180.0° |
| C15 | C5 | C | C1 | 180.0° | 179.7° |
| C15 | C5 | C | H3 | 0.0° | 0.3° |
| C5 | C15 | N2 | H30 | 31.3° | 5.1° |
| O6M2 | C6M2 | C5M2 | H40 | 67.6° | 55.0° |
| O6M2 | C6M2 | H41 | H42 | 120.1° | 120.0° |
| O7 | C13 | N3 | C12 | 180.0° | 180.0° |
| O7 | C13 | C12 | N1 | 82.8° | 174.8° |
| O7 | C13 | C12 | C11 | 97.2° | 5.0° |
| O7 | C13 | N3 | H31 | 141.4° | 175.0° |
| N3 | C13 | C12 | N1 | 97.2° | 5.2° |
| N3 | C13 | C12 | C11 | 82.8° | 175.0° |
| C13 | N3 | C16 | H6 | 167.1° | 55.0° |
| C13 | N3 | C16 | H7 | 47.8° | 65.0° |
| N | C5 | C | C1 | 0.0° | 0.0° |
| C5 | N | C3 | C9 | 180.0° | 180.0° |
| C5 | N | C3 | C2 | 0.0° | 0.6° |
| N | C5 | C | H3 | 180.0° | 179.9° |
| C | C5 | N | C3 | 0.0° | 0.3° |
| C5 | C | C1 | H3 | 180.0° | 180.0° |
| C5 | C | C1 | C2 | 0.0° | 0.0° |
| C5 | C | C1 | H1 | 179.9° | 179.7° |
| C13 | C12 | N1 | C11 | 180.0° | 179.8° |
| C13 | C12 | N1 | C9 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 180.0° | 179.9° |
| C13 | C12 | C11 | H5 | 0.0° | 0.2° |
| C12 | C13 | N3 | H31 | 38.6° | 5.0° |
| N | C3 | C9 | N1 | 0.1° | 0.7° |
| N | C3 | C9 | C2 | 180.0° | 179.4° |
| N | C3 | C9 | C8 | 179.9° | 179.4° |
| N | C3 | C2 | C1 | 0.1° | 0.6° |
| N | C3 | C2 | C6 | 180.0° | 179.4° |
| C | C1 | C2 | C3 | 0.1° | 0.3° |
| C | C1 | C2 | H1 | 180.0° | 179.7° |
| C | C1 | C2 | C6 | 180.0° | 179.7° |
| C12 | N1 | C9 | C3 | 180.0° | 180.0° |
| C12 | N1 | C9 | C8 | 0.1° | 0.0° |
| N1 | C12 | C11 | C10 | 0.0° | 0.2° |
| N1 | C12 | C11 | H5 | 180.0° | 180.0° |
| C9 | N1 | C12 | C11 | 0.1° | 0.1° |
| N1 | C9 | C3 | C8 | 179.9° | 179.9° |
| N1 | C9 | C3 | C2 | 179.9° | 180.0° |
| N1 | C9 | C8 | C10 | 0.1° | 0.1° |
| N1 | C9 | C8 | C7 | 180.0° | 179.9° |
| C12 | C11 | C10 | H5 | 180.0° | 179.9° |
| C12 | C11 | C10 | C8 | 0.0° | 0.1° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C9 | C3 | C2 | C1 | 180.0° | 180.0° |
| C9 | C3 | C2 | C6 | 0.0° | 0.1° |
| C3 | C9 | C8 | C10 | 180.0° | 180.0° |
| C3 | C9 | C8 | C7 | 0.1° | 0.0° |
| C2 | C3 | C9 | C8 | 0.1° | 0.0° |
| C3 | C2 | C1 | C6 | 179.9° | 179.9° |
| C3 | C2 | C6 | C7 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C3 | C2 | C6 | H2 | 179.9° | 180.0° |
| C9 | C8 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C10 | C7 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C9 | C8 | C10 | H4 | 179.9° | 180.0° |
| C9 | C8 | C7 | H29 | 179.9° | 180.0° |
| C1 | C2 | C6 | C7 | 180.0° | 180.0° |
| C1 | C2 | C6 | H2 | 0.0° | 0.1° |
| C2 | C1 | C | H3 | 180.0° | 179.9° |
| C2 | C6 | C7 | C8 | 0.0° | 0.1° |
| C2 | C6 | C7 | H2 | 180.0° | 179.9° |
| C6 | C2 | C1 | H1 | 0.0° | 0.1° |
| C2 | C6 | C7 | H29 | 180.0° | 180.0° |
| C11 | C10 | C8 | H4 | 180.0° | 180.0° |
| C11 | C10 | C8 | C7 | 179.9° | 180.0° |
| C10 | C8 | C7 | C6 | 180.0° | 180.0° |
| C8 | C10 | C11 | H5 | 180.0° | 180.0° |
| C10 | C8 | C7 | H29 | 0.1° | 0.0° |
| C8 | C7 | C6 | H29 | 180.0° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C8 | C10 | H4 | 0.0° | 0.0° |
| H1 | C1 | C | H3 | 0.0° | 0.2° |
| H2 | C6 | C7 | H29 | 0.0° | 0.1° |
| H4 | C10 | C11 | H5 | 0.1° | 0.0° |
| H6 | C16 | C19 | H12 | 42.2° | 54.5° |
| H6 | C16 | C19 | H13 | 77.9° | 65.4° |
| H6 | C16 | N3 | H31 | 12.9° | 125.0° |
| H7 | C16 | C19 | H12 | 161.4° | 65.4° |
| H7 | C16 | C19 | H13 | 41.4° | 174.7° |
| H7 | C16 | N3 | H31 | 132.2° | 115.1° |
| H8 | C17 | C18 | H10 | 149.9° | 54.7° |
| H8 | C17 | C18 | H11 | 30.0° | 65.3° |
| H8 | C17 | N2 | H30 | 77.7° | 115.0° |
| H9 | C17 | C18 | H10 | 30.7° | 65.3° |
| H9 | C17 | C18 | H11 | 89.3° | 174.7° |
| H9 | C17 | N2 | H30 | 163.0° | 125.0° |
| H14 | C1M | C2M | H21 | 65.1° | 62.4° |
| H15 | C20 | C33 | H22 | 6.3° | 55.0° |
| H15 | C20 | C33 | H23 | 126.3° | 65.0° |
| H16 | C20 | C33 | H22 | 126.4° | 65.0° |
| H16 | C20 | C33 | H23 | 113.7° | 175.0° |
| H17 | C21 | C22 | H19 | 83.1° | 55.0° |
| H17 | C21 | C22 | H20 | 156.9° | 65.0° |
| H18 | C21 | C22 | H19 | 36.9° | 65.0° |
| H18 | C21 | C22 | H20 | 83.1° | 175.0° |
| H21 | C2M | C3M | H24 | 49.7° | 57.0° |
| H21 | C2M | O2M | H32 | 61.0° | 60.1° |
| H24 | C3M | C4M | H25 | 171.7° | 177.1° |
| H24 | C3M | O3M | H33 | 60.9° | 60.1° |
| H25 | C4M | C5M | H26 | 177.5° | 177.6° |
| H25 | C4M | O4M | H34 | 60.9° | 60.1° |
| H26 | C5M | C6M | H27 | 50.8° | 65.0° |
| H26 | C5M | C6M | H28 | 69.2° | 175.0° |
| H27 | C6M | O6M | H35 | 60.0° | 59.9° |
| H28 | C6M | O6M | H35 | 60.0° | 60.0° |
| H36 | C1M2 | C2M2 | H37 | 62.5° | 62.4° |
| H37 | C2M2 | C3M2 | H38 | 48.6° | 57.1° |
| H37 | C2M2 | O2M2 | H43 | 60.6° | 60.1° |
| H38 | C3M2 | C4M2 | H39 | 167.3° | 177.3° |
| H38 | C3M2 | O3M2 | H44 | 61.0° | 60.2° |
| H39 | C4M2 | C5M2 | H40 | 173.4° | 177.7° |
| H39 | C4M2 | O4M2 | H45 | 61.1° | 60.2° |
| H40 | C5M2 | C6M2 | H41 | 172.4° | 65.0° |
| H40 | C5M2 | C6M2 | H42 | 52.4° | 175.0° |
| H41 | C6M2 | O6M2 | H46 | 60.0° | 60.0° |
| H42 | C6M2 | O6M2 | H46 | 60.0° | 60.0° |
