P8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C7 | sing | 1.43Å | 1.43Å | |
| C3 | C1 | sing | 1.51Å | 1.54Å | |
| C3 | O6 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | doub | 1.35Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C1 | N3 | sing | 1.34Å | 1.33Å | Aromatic |
| C6 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | O2 | sing | 1.43Å | 1.45Å | |
| N1 | N2 | sing | 1.29Å | 1.23Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.49Å | |
| C8 | O4 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| O6 | C14 | sing | 1.43Å | 1.43Å | |
| N3 | N2 | doub | 1.29Å | 1.20Å | Aromatic |
| C5 | O2 | sing | 1.43Å | 1.45Å | |
| C5 | C9 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C9 | O5 | sing | 1.43Å | 1.41Å | |
| O1 | C4 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| O10 | C15 | sing | 1.43Å | 1.44Å | |
| O9 | C13 | sing | 1.43Å | 1.43Å | |
| C15 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | O8 | sing | 1.43Å | 1.47Å | |
| C12 | O8 | sing | 1.43Å | 1.46Å | |
| C12 | N4 | sing | 1.46Å | 1.47Å | |
| C10 | O7 | sing | 1.43Å | 1.43Å | |
| C17 | N4 | sing | 1.35Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.35Å | 1.32Å | Aromatic |
| N4 | N5 | sing | 1.29Å | 1.24Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.54Å | |
| C16 | N6 | sing | 1.34Å | 1.33Å | Aromatic |
| C18 | O11 | sing | 1.43Å | 1.44Å | |
| N5 | N6 | doub | 1.29Å | 1.21Å | Aromatic |
| O11 | C23 | sing | 1.43Å | 1.45Å | |
| O14 | C22 | sing | 1.43Å | 1.44Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| O15 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | O16 | sing | 1.43Å | 1.45Å | |
| C21 | O13 | sing | 1.43Å | 1.46Å | |
| C20 | O13 | sing | 1.43Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| O16 | C25 | sing | 1.43Å | 1.43Å | |
| O12 | C19 | sing | 1.43Å | 1.43Å | |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| O14 | H24 | sing | 0.97Å | 0.95Å | |
| O12 | H25 | sing | 0.97Å | 0.95Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| O15 | H27 | sing | 0.97Å | 0.95Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| O9 | H32 | sing | 0.97Å | 0.95Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| O7 | H35 | sing | 0.97Å | 0.95Å | |
| O10 | H36 | sing | 0.97Å | 0.95Å | |
| O1 | H37 | sing | 0.97Å | 0.95Å | |
| O5 | H38 | sing | 0.97Å | 0.95Å | |
| O4 | H39 | sing | 0.97Å | 0.95Å | |
| O3 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C7 | C6 | 108.1° | 109.6° |
| O3 | C7 | C8 | 104.9° | 109.6° |
| O3 | C7 | H15 | 112.5° | 109.5° |
| C7 | O3 | H40 | 109.5° | 114.0° |
| C1 | C3 | O6 | 115.7° | 109.5° |
| C3 | C1 | C2 | 126.9° | 126.7° |
| C3 | C1 | N3 | 125.4° | 126.8° |
| C1 | C3 | H20 | 107.9° | 109.5° |
| C1 | C3 | H21 | 107.9° | 109.5° |
| C3 | O6 | C14 | 113.0° | 114.0° |
| O6 | C3 | H20 | 107.9° | 109.4° |
| O6 | C3 | H21 | 107.9° | 109.5° |
| C1 | C2 | N1 | 102.5° | 106.1° |
| C2 | C1 | N3 | 107.7° | 106.5° |
| C1 | C2 | H22 | 128.7° | 126.9° |
| C2 | N1 | C6 | 127.7° | 125.8° |
| C2 | N1 | N2 | 110.2° | 108.3° |
| N1 | C2 | H22 | 128.7° | 127.0° |
| C1 | N3 | N2 | 108.1° | 108.9° |
| N1 | C6 | C7 | 106.5° | 109.4° |
| N1 | C6 | O2 | 110.9° | 109.5° |
| C6 | N1 | N2 | 122.0° | 125.9° |
| N1 | C6 | H17 | 110.4° | 109.5° |
| C7 | C6 | O2 | 108.8° | 109.4° |
| C6 | C7 | C8 | 108.3° | 109.1° |
| C6 | C7 | H15 | 111.3° | 109.5° |
| C7 | C6 | H17 | 109.7° | 109.5° |
| C6 | O2 | C5 | 107.7° | 114.1° |
| O2 | C6 | H17 | 110.5° | 109.5° |
| N1 | N2 | N3 | 111.3° | 110.2° |
| C7 | C8 | O4 | 107.4° | 109.5° |
| C7 | C8 | C9 | 106.0° | 109.1° |
| C7 | C8 | H14 | 110.2° | 109.5° |
| C8 | C7 | H15 | 111.5° | 109.5° |
| O4 | C8 | C9 | 112.3° | 109.6° |
| O4 | C8 | H14 | 110.8° | 109.6° |
| C8 | O4 | H39 | 109.5° | 114.0° |
| C8 | C9 | C5 | 108.1° | 109.2° |
| C8 | C9 | O5 | 109.2° | 109.6° |
| C8 | C9 | H12 | 109.3° | 109.5° |
| C9 | C8 | H14 | 109.9° | 109.5° |
| O6 | C14 | C15 | 112.1° | 109.5° |
| O6 | C14 | C13 | 108.6° | 109.5° |
| O6 | C14 | H8 | 109.4° | 109.6° |
| O2 | C5 | C9 | 111.2° | 109.4° |
| O2 | C5 | C4 | 108.2° | 109.5° |
| O2 | C5 | H16 | 109.7° | 109.5° |
| C9 | C5 | C4 | 110.3° | 109.5° |
| C5 | C9 | O5 | 110.7° | 109.5° |
| C5 | C9 | H12 | 108.8° | 109.5° |
| C9 | C5 | H16 | 108.6° | 109.5° |
| C5 | C4 | O1 | 109.1° | 109.5° |
| C4 | C5 | H16 | 108.8° | 109.5° |
| C5 | C4 | H18 | 109.6° | 109.5° |
| C5 | C4 | H19 | 109.6° | 109.4° |
| O5 | C9 | H12 | 110.6° | 109.6° |
| C9 | O5 | H38 | 109.5° | 114.0° |
| O1 | C4 | H18 | 109.6° | 109.5° |
| O1 | C4 | H19 | 109.6° | 109.4° |
| C4 | O1 | H37 | 109.5° | 114.0° |
| C15 | C14 | C13 | 109.9° | 109.0° |
| C14 | C15 | O10 | 110.2° | 109.6° |
| C14 | C15 | C11 | 108.2° | 109.1° |
| C14 | C15 | H6 | 109.0° | 109.5° |
| C15 | C14 | H8 | 108.2° | 109.5° |
| C14 | C13 | O9 | 109.3° | 109.5° |
| C14 | C13 | C12 | 109.6° | 109.2° |
| C13 | C14 | H8 | 108.5° | 109.6° |
| C14 | C13 | H11 | 109.0° | 109.6° |
| O10 | C15 | C11 | 110.1° | 109.5° |
| O10 | C15 | H6 | 110.3° | 109.5° |
| C15 | O10 | H36 | 109.5° | 114.0° |
| O9 | C13 | C12 | 110.3° | 109.5° |
| O9 | C13 | H11 | 110.0° | 109.6° |
| C13 | O9 | H32 | 109.5° | 114.0° |
| C15 | C11 | C10 | 111.4° | 109.5° |
| C15 | C11 | O8 | 109.9° | 109.4° |
| C11 | C15 | H6 | 109.0° | 109.5° |
| C15 | C11 | H13 | 104.6° | 109.5° |
| C13 | C12 | O8 | 111.6° | 109.3° |
| C13 | C12 | N4 | 108.0° | 109.5° |
| C12 | C13 | H11 | 108.7° | 109.5° |
| C13 | C12 | H31 | 107.8° | 109.5° |
| C10 | C11 | O8 | 119.8° | 109.5° |
| C11 | C10 | O7 | 110.2° | 109.4° |
| C10 | C11 | H13 | 104.5° | 109.4° |
| C11 | C10 | H33 | 109.3° | 109.5° |
| C11 | C10 | H34 | 109.3° | 109.4° |
| C11 | O8 | C12 | 111.1° | 114.1° |
| O8 | C11 | H13 | 105.2° | 109.5° |
| O8 | C12 | N4 | 112.0° | 109.5° |
| O8 | C12 | H31 | 108.8° | 109.5° |
| C12 | N4 | C17 | 124.0° | 125.9° |
| C12 | N4 | N5 | 125.9° | 125.8° |
| N4 | C12 | H31 | 108.6° | 109.5° |
| O7 | C10 | H33 | 109.3° | 109.5° |
| O7 | C10 | H34 | 109.3° | 109.5° |
| C10 | O7 | H35 | 109.5° | 113.9° |
| N4 | C17 | C16 | 103.1° | 106.2° |
| C17 | N4 | N5 | 110.0° | 108.3° |
| N4 | C17 | H7 | 128.4° | 126.9° |
| C17 | C16 | C18 | 124.4° | 126.8° |
| C17 | C16 | N6 | 107.5° | 106.5° |
| C16 | C17 | H7 | 128.4° | 126.9° |
| N4 | N5 | N6 | 111.3° | 110.2° |
| C18 | C16 | N6 | 128.0° | 126.7° |
| C16 | C18 | O11 | 113.9° | 109.4° |
| C16 | C18 | H29 | 108.4° | 109.5° |
| C16 | C18 | H30 | 108.3° | 109.4° |
| C16 | N6 | N5 | 108.0° | 108.9° |
| C18 | O11 | C23 | 111.1° | 114.0° |
| O11 | C18 | H29 | 108.4° | 109.5° |
| O11 | C18 | H30 | 108.4° | 109.4° |
| O11 | C23 | C22 | 110.4° | 109.6° |
| O11 | C23 | C24 | 110.9° | 109.6° |
| O11 | C23 | H28 | 109.5° | 109.6° |
| O14 | C22 | C23 | 110.4° | 109.6° |
| O14 | C22 | C21 | 109.6° | 109.5° |
| O14 | C22 | H23 | 109.8° | 109.5° |
| C22 | O14 | H24 | 109.5° | 114.0° |
| C22 | C23 | C24 | 109.1° | 109.0° |
| C23 | C22 | C21 | 109.7° | 109.2° |
| C23 | C22 | H23 | 108.6° | 109.6° |
| C22 | C23 | H28 | 108.3° | 109.5° |
| C23 | C24 | O15 | 110.2° | 109.5° |
| C23 | C24 | C20 | 108.5° | 109.2° |
| C23 | C24 | H26 | 109.0° | 109.5° |
| C24 | C23 | H28 | 108.6° | 109.5° |
| C22 | C21 | O16 | 109.4° | 109.5° |
| C22 | C21 | O13 | 110.2° | 109.4° |
| C22 | C21 | H4 | 107.9° | 109.5° |
| C21 | C22 | H23 | 108.6° | 109.5° |
| O15 | C24 | C20 | 110.4° | 109.5° |
| O15 | C24 | H26 | 110.0° | 109.5° |
| C24 | O15 | H27 | 109.5° | 114.0° |
| C24 | C20 | O13 | 111.1° | 109.4° |
| C24 | C20 | C19 | 109.0° | 109.5° |
| C24 | C20 | H5 | 107.7° | 109.4° |
| C20 | C24 | H26 | 108.8° | 109.5° |
| O16 | C21 | O13 | 111.5° | 109.4° |
| C21 | O16 | C25 | 111.2° | 114.0° |
| O16 | C21 | H4 | 108.9° | 109.4° |
| C21 | O13 | C20 | 111.6° | 114.1° |
| O13 | C21 | H4 | 108.8° | 109.5° |
| O13 | C20 | C19 | 112.7° | 109.5° |
| O13 | C20 | H5 | 108.5° | 109.4° |
| C20 | C19 | O12 | 109.3° | 109.5° |
| C19 | C20 | H5 | 107.6° | 109.5° |
| C20 | C19 | H9 | 109.5° | 109.5° |
| C20 | C19 | H10 | 109.5° | 109.4° |
| O16 | C25 | H1 | 109.5° | 109.4° |
| O16 | C25 | H2 | 109.4° | 109.4° |
| O16 | C25 | H3 | 109.5° | 109.4° |
| O12 | C19 | H9 | 109.5° | 109.5° |
| O12 | C19 | H10 | 109.5° | 109.5° |
| C19 | O12 | H25 | 109.5° | 114.0° |
| H1 | C25 | H2 | 109.5° | 109.5° |
| H1 | C25 | H3 | 109.5° | 109.5° |
| H2 | C25 | H3 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.4° | 109.5° |
| H20 | C3 | H21 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.4° | 109.5° |
| H33 | C10 | H34 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C7 | C6 | N1 | 59.9° | 62.5° |
| O3 | C7 | C6 | C8 | 113.1° | 120.0° |
| O3 | C7 | C6 | H15 | 124.0° | 120.2° |
| O3 | C7 | C6 | O2 | 179.5° | 177.5° |
| O3 | C7 | C8 | H15 | 122.0° | 120.2° |
| O3 | C7 | C8 | O4 | 59.8° | 63.1° |
| O3 | C7 | C8 | C9 | 180.0° | 177.0° |
| O3 | C7 | C8 | H14 | 61.1° | 57.1° |
| O3 | C7 | C6 | H17 | 59.6° | 57.5° |
| C1 | C3 | O6 | H20 | 120.9° | 120.0° |
| C1 | C3 | O6 | H21 | 120.9° | 120.0° |
| C3 | C1 | C2 | N3 | 179.2° | 179.7° |
| C3 | C1 | C2 | N1 | 177.1° | 179.7° |
| C1 | C3 | O6 | C14 | 47.3° | 180.0° |
| C3 | C1 | N3 | N2 | 178.9° | 180.0° |
| C1 | C3 | H20 | H21 | 117.2° | 120.0° |
| C3 | C1 | C2 | H22 | 2.9° | 0.3° |
| O6 | C3 | C1 | C2 | 86.9° | 0.3° |
| O6 | C3 | C1 | N3 | 94.0° | 180.0° |
| C3 | O6 | C14 | C15 | 54.2° | 150.0° |
| C3 | O6 | C14 | C13 | 175.9° | 90.5° |
| C3 | O6 | C14 | H8 | 65.8° | 29.8° |
| O6 | C3 | H20 | H21 | 117.1° | 120.0° |
| C1 | C2 | N1 | H22 | 180.0° | 180.0° |
| C1 | C2 | N1 | C6 | 179.2° | 180.0° |
| C1 | C2 | N1 | N2 | 3.3° | 0.2° |
| C2 | C1 | N3 | N2 | 0.3° | 0.2° |
| C2 | C1 | C3 | H20 | 152.1° | 120.3° |
| C2 | C1 | C3 | H21 | 34.0° | 119.7° |
| N1 | C2 | C1 | N3 | 2.1° | 0.0° |
| C2 | N1 | C6 | N2 | 175.5° | 179.7° |
| C2 | N1 | C6 | C7 | 159.4° | 125.0° |
| C2 | N1 | C6 | O2 | 82.4° | 115.1° |
| C2 | N1 | N2 | N3 | 3.4° | 0.4° |
| C2 | N1 | C6 | H17 | 40.3° | 5.0° |
| C1 | N3 | N2 | N1 | 1.9° | 0.4° |
| N3 | C1 | C3 | H20 | 26.9° | 60.0° |
| N3 | C1 | C3 | H21 | 145.1° | 60.0° |
| N3 | C1 | C2 | H22 | 177.9° | 180.0° |
| N1 | C6 | C7 | O2 | 119.6° | 120.0° |
| N1 | C6 | C7 | H17 | 119.4° | 120.0° |
| N1 | C6 | O2 | H17 | 122.7° | 120.1° |
| N1 | C6 | C7 | C8 | 173.0° | 177.5° |
| C6 | N1 | N2 | N3 | 179.6° | 179.9° |
| N1 | C6 | O2 | C5 | 179.8° | 178.9° |
| N1 | C6 | C7 | H15 | 64.1° | 57.7° |
| C6 | N1 | C2 | H22 | 0.8° | 0.0° |
| C7 | C6 | O2 | H17 | 120.5° | 120.0° |
| C7 | C6 | N1 | N2 | 25.1° | 55.3° |
| C6 | C7 | C8 | H15 | 122.8° | 119.8° |
| C6 | C7 | C8 | O4 | 175.1° | 176.9° |
| C6 | C7 | C8 | C9 | 64.7° | 57.0° |
| C7 | C6 | O2 | C5 | 63.4° | 61.1° |
| C6 | C7 | C8 | H14 | 54.2° | 62.9° |
| C6 | C7 | O3 | H40 | 180.0° | 179.6° |
| O2 | C6 | N1 | N2 | 93.1° | 64.6° |
| O2 | C6 | C7 | C8 | 67.4° | 57.6° |
| C6 | O2 | C5 | C9 | 60.3° | 61.1° |
| C6 | O2 | C5 | C4 | 178.4° | 178.8° |
| O2 | C6 | C7 | H15 | 55.5° | 62.3° |
| C6 | O2 | C5 | H16 | 59.8° | 58.8° |
| N2 | N1 | C6 | H17 | 144.2° | 175.3° |
| N2 | N1 | C2 | H22 | 176.7° | 179.7° |
| C7 | C8 | O4 | C9 | 116.2° | 119.6° |
| C7 | C8 | O4 | H14 | 120.4° | 120.2° |
| C7 | C8 | C9 | H14 | 119.1° | 119.9° |
| C7 | C8 | C9 | C5 | 60.0° | 57.0° |
| C7 | C8 | C9 | O5 | 60.5° | 62.9° |
| C7 | C8 | C9 | H12 | 178.3° | 176.9° |
| C8 | C7 | C6 | H17 | 53.6° | 62.5° |
| C7 | C8 | O4 | H39 | 180.0° | 59.9° |
| C8 | C7 | O3 | H40 | 64.6° | 59.9° |
| O4 | C8 | C9 | H14 | 123.9° | 120.3° |
| O4 | C8 | C9 | C5 | 177.1° | 176.9° |
| O4 | C8 | C9 | O5 | 56.5° | 57.0° |
| O4 | C8 | C9 | H12 | 64.7° | 63.2° |
| O4 | C8 | C7 | H15 | 62.2° | 57.0° |
| C8 | C9 | C5 | O2 | 59.8° | 57.7° |
| C8 | C9 | C5 | O5 | 119.6° | 120.0° |
| C8 | C9 | C5 | H12 | 118.5° | 119.9° |
| C8 | C9 | C5 | C4 | 179.9° | 177.7° |
| C8 | C9 | O5 | H12 | 120.3° | 120.1° |
| C9 | C8 | C7 | H15 | 58.1° | 62.9° |
| C8 | C9 | C5 | H16 | 61.0° | 62.3° |
| C8 | C9 | O5 | H38 | 180.0° | 60.1° |
| C9 | C8 | O4 | H39 | 63.8° | 179.5° |
| O6 | C14 | C15 | C13 | 121.0° | 119.8° |
| O6 | C14 | C15 | H8 | 120.8° | 120.3° |
| O6 | C14 | C13 | H8 | 118.9° | 120.3° |
| O6 | C14 | C15 | O10 | 59.5° | 56.9° |
| O6 | C14 | C13 | O9 | 59.0° | 63.3° |
| O6 | C14 | C15 | C11 | 179.9° | 176.8° |
| O6 | C14 | C13 | C12 | 180.0° | 176.9° |
| O6 | C14 | C15 | H6 | 61.7° | 63.3° |
| O6 | C14 | C13 | H11 | 61.2° | 57.0° |
| C14 | O6 | C3 | H20 | 73.7° | 60.0° |
| C14 | O6 | C3 | H21 | 168.2° | 60.0° |
| O2 | C5 | C9 | C4 | 120.1° | 120.0° |
| O2 | C5 | C9 | H16 | 120.8° | 120.0° |
| O2 | C5 | C4 | H16 | 119.2° | 120.0° |
| O2 | C5 | C9 | O5 | 59.8° | 62.3° |
| O2 | C5 | C4 | O1 | 59.8° | 65.0° |
| O2 | C5 | C9 | H12 | 178.3° | 177.5° |
| C5 | O2 | C6 | H17 | 57.1° | 58.9° |
| O2 | C5 | C4 | H18 | 179.7° | 175.0° |
| O2 | C5 | C4 | H19 | 60.2° | 55.0° |
| C9 | C5 | C4 | H16 | 119.0° | 120.0° |
| C5 | C9 | O5 | H12 | 120.8° | 120.1° |
| C9 | C5 | C4 | O1 | 178.4° | 175.1° |
| C5 | C9 | C8 | H14 | 59.0° | 62.8° |
| C9 | C5 | C4 | H18 | 58.4° | 55.0° |
| C9 | C5 | C4 | H19 | 61.6° | 65.0° |
| C5 | C9 | O5 | H38 | 61.1° | 179.8° |
| C4 | C5 | C9 | O5 | 60.2° | 57.7° |
| C5 | C4 | O1 | H18 | 120.0° | 120.0° |
| C5 | C4 | O1 | H19 | 119.9° | 119.9° |
| C4 | C5 | C9 | H12 | 61.6° | 62.4° |
| C5 | C4 | H18 | H19 | 120.2° | 120.0° |
| C5 | C4 | O1 | H37 | 180.0° | 180.0° |
| O5 | C9 | C8 | H14 | 179.6° | 177.2° |
| O5 | C9 | C5 | H16 | 179.3° | 177.7° |
| O1 | C4 | C5 | H16 | 59.4° | 55.0° |
| O1 | C4 | H18 | H19 | 120.2° | 120.0° |
| C15 | C14 | C13 | H8 | 118.1° | 119.9° |
| C14 | C15 | O10 | C11 | 119.3° | 119.7° |
| C14 | C15 | O10 | H6 | 120.4° | 120.2° |
| C15 | C14 | C13 | O9 | 178.0° | 176.9° |
| C14 | C15 | C11 | H6 | 118.4° | 119.9° |
| C15 | C14 | C13 | C12 | 57.0° | 57.0° |
| C14 | C15 | C11 | C10 | 164.9° | 177.6° |
| C14 | C15 | C11 | O8 | 60.0° | 57.6° |
| C15 | C14 | C13 | H11 | 61.8° | 62.9° |
| C14 | C15 | C11 | H13 | 52.6° | 62.4° |
| C14 | C15 | O10 | H36 | 180.0° | 179.7° |
| C13 | C14 | C15 | O10 | 61.5° | 62.9° |
| C14 | C13 | O9 | C12 | 120.5° | 119.6° |
| C14 | C13 | O9 | H11 | 119.6° | 120.2° |
| C13 | C14 | C15 | C11 | 59.0° | 57.0° |
| C14 | C13 | C12 | H11 | 119.0° | 119.9° |
| C14 | C13 | C12 | O8 | 56.6° | 57.6° |
| C14 | C13 | C12 | N4 | 180.0° | 177.6° |
| C13 | C14 | C15 | H6 | 177.4° | 176.9° |
| C14 | C13 | C12 | H31 | 62.8° | 62.3° |
| C14 | C13 | O9 | H32 | 180.0° | 180.0° |
| O10 | C15 | C11 | H6 | 121.1° | 120.1° |
| O10 | C15 | C11 | C10 | 74.6° | 57.7° |
| O10 | C15 | C11 | O8 | 60.5° | 62.3° |
| O10 | C15 | C14 | H8 | 179.8° | 177.2° |
| O10 | C15 | C11 | H13 | 173.0° | 177.6° |
| O9 | C13 | C12 | H11 | 120.6° | 120.2° |
| O9 | C13 | C12 | O8 | 176.9° | 177.5° |
| O9 | C13 | C12 | N4 | 59.6° | 62.5° |
| O9 | C13 | C14 | H8 | 59.9° | 57.0° |
| O9 | C13 | C12 | H31 | 57.6° | 57.6° |
| C15 | C11 | C10 | O8 | 130.1° | 120.0° |
| C15 | C11 | C10 | H13 | 112.4° | 120.0° |
| C15 | C11 | O8 | H13 | 112.1° | 120.0° |
| C15 | C11 | O8 | C12 | 60.3° | 61.2° |
| C15 | C11 | C10 | O7 | 168.0° | 175.0° |
| C11 | C15 | C14 | H8 | 59.3° | 62.9° |
| C15 | C11 | C10 | H33 | 47.9° | 54.9° |
| C15 | C11 | C10 | H34 | 71.9° | 65.1° |
| C11 | C15 | O10 | H36 | 60.7° | 60.0° |
| C13 | C12 | O8 | C11 | 58.5° | 61.2° |
| C13 | C12 | O8 | N4 | 121.1° | 120.0° |
| C13 | C12 | O8 | H31 | 118.8° | 120.0° |
| C13 | C12 | N4 | H31 | 116.7° | 120.1° |
| C13 | C12 | N4 | C17 | 55.3° | 125.1° |
| C13 | C12 | N4 | N5 | 126.8° | 55.1° |
| C12 | C13 | C14 | H8 | 61.1° | 62.8° |
| C12 | C13 | O9 | H32 | 59.5° | 60.4° |
| C10 | C11 | O8 | H13 | 117.1° | 120.0° |
| C10 | C11 | O8 | C12 | 168.9° | 178.8° |
| C11 | C10 | O7 | H33 | 120.1° | 120.0° |
| C11 | C10 | O7 | H34 | 120.1° | 119.9° |
| C10 | C11 | C15 | H6 | 46.4° | 62.4° |
| C11 | C10 | H33 | H34 | 119.7° | 120.0° |
| C11 | C10 | O7 | H35 | 180.0° | 179.9° |
| C11 | O8 | C12 | N4 | 179.6° | 178.8° |
| O8 | C11 | C10 | O7 | 61.9° | 65.0° |
| O8 | C11 | C15 | H6 | 178.4° | 177.5° |
| C11 | O8 | C12 | H31 | 60.3° | 58.8° |
| O8 | C11 | C10 | H33 | 178.0° | 174.9° |
| O8 | C11 | C10 | H34 | 58.2° | 54.9° |
| O8 | C12 | N4 | H31 | 120.1° | 120.0° |
| O8 | C12 | N4 | C17 | 67.9° | 115.1° |
| O8 | C12 | N4 | N5 | 110.0° | 64.8° |
| O8 | C12 | C13 | H11 | 62.4° | 62.3° |
| C12 | O8 | C11 | H13 | 51.8° | 58.8° |
| C12 | N4 | C17 | N5 | 178.2° | 179.9° |
| C12 | N4 | C17 | C16 | 179.9° | 180.0° |
| C12 | N4 | N5 | N6 | 179.5° | 179.8° |
| C12 | N4 | C17 | H7 | 0.0° | 0.0° |
| N4 | C12 | C13 | H11 | 61.0° | 57.7° |
| O7 | C10 | C11 | H13 | 55.6° | 55.0° |
| O7 | C10 | H33 | H34 | 119.7° | 120.0° |
| N4 | C17 | C16 | H7 | 180.0° | 180.0° |
| N4 | C17 | C16 | C18 | 179.4° | 179.9° |
| N4 | C17 | C16 | N6 | 1.5° | 0.3° |
| C17 | N4 | N5 | N6 | 1.3° | 0.0° |
| C17 | N4 | C12 | H31 | 172.0° | 5.0° |
| C16 | C17 | N4 | N5 | 1.7° | 0.2° |
| C17 | C16 | C18 | N6 | 178.9° | 179.6° |
| C17 | C16 | C18 | O11 | 152.1° | 0.4° |
| C17 | C16 | N6 | N5 | 0.8° | 0.3° |
| C17 | C16 | C18 | H29 | 87.2° | 119.6° |
| C17 | C16 | C18 | H30 | 31.5° | 120.3° |
| N4 | N5 | N6 | C16 | 0.3° | 0.2° |
| N5 | N4 | C17 | H7 | 178.2° | 179.9° |
| N5 | N4 | C12 | H31 | 10.1° | 175.2° |
| C16 | C18 | O11 | H29 | 120.7° | 120.0° |
| C16 | C18 | O11 | H30 | 120.6° | 119.9° |
| C18 | C16 | N6 | N5 | 179.9° | 180.0° |
| C16 | C18 | O11 | C23 | 74.8° | 180.0° |
| C18 | C16 | C17 | H7 | 0.7° | 0.1° |
| C16 | C18 | H29 | H30 | 118.0° | 120.0° |
| N6 | C16 | C18 | O11 | 28.9° | 180.0° |
| N6 | C16 | C17 | H7 | 178.5° | 179.7° |
| N6 | C16 | C18 | H29 | 91.7° | 60.0° |
| N6 | C16 | C18 | H30 | 149.6° | 60.1° |
| C18 | O11 | C23 | C22 | 174.6° | 90.0° |
| C18 | O11 | C23 | C24 | 53.6° | 150.4° |
| C18 | O11 | C23 | H28 | 66.3° | 30.2° |
| O11 | C18 | H29 | H30 | 118.0° | 120.0° |
| O11 | C23 | C22 | O14 | 59.2° | 63.2° |
| O11 | C23 | C22 | C24 | 122.0° | 119.9° |
| O11 | C23 | C22 | H28 | 119.9° | 120.3° |
| O11 | C23 | C24 | H28 | 120.4° | 120.3° |
| O11 | C23 | C22 | C21 | 179.9° | 176.9° |
| O11 | C23 | C24 | O15 | 59.2° | 56.9° |
| O11 | C23 | C24 | C20 | 179.9° | 176.8° |
| O11 | C23 | C22 | H23 | 61.3° | 56.9° |
| O11 | C23 | C24 | H26 | 61.6° | 63.2° |
| C23 | O11 | C18 | H29 | 45.9° | 60.0° |
| C23 | O11 | C18 | H30 | 164.6° | 60.1° |
| O14 | C22 | C23 | C21 | 120.9° | 119.9° |
| O14 | C22 | C23 | H23 | 120.5° | 120.1° |
| O14 | C22 | C23 | C24 | 178.8° | 176.9° |
| O14 | C22 | C21 | H23 | 120.0° | 120.1° |
| O14 | C22 | C21 | O16 | 58.7° | 62.5° |
| O14 | C22 | C21 | O13 | 178.3° | 177.6° |
| O14 | C22 | C21 | H4 | 59.7° | 57.6° |
| O14 | C22 | C23 | H28 | 60.7° | 57.1° |
| C22 | C23 | C24 | H28 | 117.9° | 119.8° |
| C23 | C22 | C21 | H23 | 118.6° | 120.0° |
| C22 | C23 | C24 | O15 | 62.6° | 63.0° |
| C22 | C23 | C24 | C20 | 58.4° | 56.9° |
| C23 | C22 | C21 | O16 | 180.0° | 177.6° |
| C23 | C22 | C21 | O13 | 57.0° | 57.6° |
| C23 | C22 | C21 | H4 | 61.7° | 62.4° |
| C23 | C22 | O14 | H24 | 180.0° | 179.7° |
| C22 | C23 | C24 | H26 | 176.7° | 176.9° |
| C24 | C23 | C22 | C21 | 57.9° | 57.0° |
| C23 | C24 | O15 | C20 | 119.8° | 119.7° |
| C23 | C24 | O15 | H26 | 120.1° | 120.2° |
| C23 | C24 | C20 | H26 | 118.4° | 120.0° |
| C23 | C24 | C20 | O13 | 59.8° | 57.5° |
| C23 | C24 | C20 | C19 | 175.5° | 177.6° |
| C23 | C24 | C20 | H5 | 58.9° | 62.4° |
| C24 | C23 | C22 | H23 | 60.8° | 63.0° |
| C23 | C24 | O15 | H27 | 180.0° | 179.8° |
| C22 | C21 | O16 | O13 | 122.2° | 119.9° |
| C22 | C21 | O16 | H4 | 117.7° | 120.1° |
| C22 | C21 | O13 | H4 | 118.1° | 120.1° |
| C22 | C21 | O13 | C20 | 58.2° | 61.1° |
| C22 | C21 | O16 | C25 | 178.2° | 175.1° |
| C21 | C22 | O14 | H24 | 59.0° | 60.0° |
| C21 | C22 | C23 | H28 | 60.2° | 62.8° |
| O15 | C24 | C20 | H26 | 120.8° | 120.1° |
| O15 | C24 | C20 | O13 | 61.1° | 62.4° |
| O15 | C24 | C20 | C19 | 63.7° | 57.7° |
| O15 | C24 | C20 | H5 | 179.8° | 177.7° |
| O15 | C24 | C23 | H28 | 179.5° | 177.2° |
| C24 | C20 | O13 | C21 | 60.1° | 61.1° |
| C24 | C20 | O13 | C19 | 122.7° | 120.0° |
| C24 | C20 | O13 | H5 | 118.2° | 119.9° |
| C24 | C20 | C19 | H5 | 116.5° | 120.0° |
| C24 | C20 | C19 | O12 | 56.2° | 175.0° |
| C24 | C20 | C19 | H9 | 63.7° | 55.0° |
| C24 | C20 | C19 | H10 | 176.2° | 65.0° |
| C20 | C24 | O15 | H27 | 60.2° | 60.0° |
| C20 | C24 | C23 | H28 | 59.5° | 62.9° |
| O16 | C21 | O13 | H4 | 120.2° | 120.0° |
| O16 | C21 | O13 | C20 | 180.0° | 178.9° |
| C21 | O16 | C25 | H1 | 180.0° | 180.0° |
| C21 | O16 | C25 | H2 | 60.0° | 60.0° |
| C21 | O16 | C25 | H3 | 60.0° | 60.0° |
| O16 | C21 | C22 | H23 | 61.4° | 57.6° |
| C21 | O13 | C20 | C19 | 177.2° | 178.9° |
| O13 | C21 | O16 | C25 | 59.6° | 65.0° |
| C21 | O13 | C20 | H5 | 58.1° | 58.8° |
| O13 | C21 | C22 | H23 | 61.7° | 62.3° |
| O13 | C20 | C19 | H5 | 119.6° | 120.0° |
| O13 | C20 | C19 | O12 | 179.9° | 65.0° |
| C20 | O13 | C21 | H4 | 59.8° | 58.9° |
| O13 | C20 | C19 | H9 | 60.1° | 175.0° |
| O13 | C20 | C19 | H10 | 60.0° | 55.0° |
| O13 | C20 | C24 | H26 | 178.2° | 177.5° |
| C20 | C19 | O12 | H9 | 120.0° | 120.0° |
| C20 | C19 | O12 | H10 | 120.0° | 120.0° |
| C20 | C19 | H9 | H10 | 120.1° | 120.0° |
| C20 | C19 | O12 | H25 | 180.0° | 180.0° |
| C19 | C20 | C24 | H26 | 57.1° | 62.5° |
| O16 | C25 | H1 | H2 | 120.0° | 120.0° |
| O16 | C25 | H1 | H3 | 120.0° | 119.9° |
| O16 | C25 | H2 | H3 | 120.0° | 120.0° |
| C25 | O16 | C21 | H4 | 60.5° | 55.0° |
| O12 | C19 | C20 | H5 | 60.3° | 55.0° |
| O12 | C19 | H9 | H10 | 120.1° | 120.0° |
| H1 | C25 | H2 | H3 | 120.0° | 120.1° |
| H4 | C21 | C22 | H23 | 179.7° | 177.6° |
| H5 | C20 | C19 | H9 | 179.7° | 65.0° |
| H5 | C20 | C19 | H10 | 59.7° | 175.0° |
| H5 | C20 | C24 | H26 | 59.5° | 57.6° |
| H6 | C15 | C14 | H8 | 59.1° | 57.0° |
| H6 | C15 | C11 | H13 | 65.9° | 57.5° |
| H6 | C15 | O10 | H36 | 59.6° | 60.1° |
| H8 | C14 | C13 | H11 | 179.9° | 177.2° |
| H9 | C19 | O12 | H25 | 60.0° | 60.0° |
| H10 | C19 | O12 | H25 | 60.1° | 60.0° |
| H11 | C13 | C12 | H31 | 178.2° | 177.8° |
| H11 | C13 | O9 | H32 | 60.4° | 59.8° |
| H12 | C9 | C8 | H14 | 59.2° | 57.1° |
| H12 | C9 | C5 | H16 | 57.5° | 57.6° |
| H12 | C9 | O5 | H38 | 59.7° | 60.0° |
| H13 | C11 | C10 | H33 | 64.6° | 65.0° |
| H13 | C11 | C10 | H34 | 175.7° | 175.0° |
| H14 | C8 | C7 | H15 | 177.0° | 177.2° |
| H14 | C8 | O4 | H39 | 59.6° | 60.2° |
| H15 | C7 | C6 | H17 | 176.4° | 177.7° |
| H15 | C7 | O3 | H40 | 56.7° | 60.2° |
| H16 | C5 | C4 | H18 | 60.5° | 65.0° |
| H16 | C5 | C4 | H19 | 179.4° | 175.0° |
| H18 | C4 | O1 | H37 | 60.1° | 60.0° |
| H19 | C4 | O1 | H37 | 60.0° | 60.0° |
| H23 | C22 | O14 | H24 | 60.3° | 60.1° |
| H23 | C22 | C23 | H28 | 178.9° | 177.2° |
| H26 | C24 | O15 | H27 | 59.8° | 60.1° |
| H26 | C24 | C23 | H28 | 58.8° | 57.0° |
| H33 | C10 | O7 | H35 | 59.9° | 60.0° |
| H34 | C10 | O7 | H35 | 59.9° | 60.0° |
