8K1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C29 | sing | 1.56Å | 1.53Å | |
| C27 | C26 | sing | 1.56Å | 1.54Å | |
| C27 | O5 | sing | 1.45Å | 1.43Å | |
| C29 | C21 | sing | 1.56Å | 1.52Å | |
| C26 | C22 | sing | 1.56Å | 1.51Å | |
| C26 | C25 | sing | 1.56Å | 1.51Å | |
| O5 | C24 | sing | 1.46Å | 1.43Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| O4 | C20 | sing | 1.43Å | 1.42Å | |
| C25 | C24 | sing | 1.55Å | 1.52Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.52Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| N | C | sing | 1.38Å | 1.34Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| N1 | C | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.36Å | Aromatic |
| C23 | C16 | sing | 1.52Å | 1.55Å | |
| C | C3 | sing | 1.41Å | 1.48Å | Aromatic |
| C1 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.52Å | 1.54Å | |
| C16 | C15 | sing | 1.54Å | 1.54Å | |
| C3 | C2 | doub | 1.41Å | 1.46Å | Aromatic |
| C3 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.36Å | Aromatic |
| C18 | C11 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C2 | N4 | sing | 1.37Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.55Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| O6 | C10 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.52Å | 1.52Å | |
| N4 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | C5 | sing | 1.46Å | 1.47Å | |
| C10 | O3 | sing | 1.34Å | 1.43Å | |
| C5 | O9 | sing | 1.44Å | 1.42Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| O9 | C8 | sing | 1.44Å | 1.42Å | |
| O3 | P | sing | 1.61Å | 1.61Å | |
| C6 | O | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.55Å | 1.50Å | |
| O7 | P | doub | 1.48Å | 1.56Å | |
| O2 | P | sing | 1.61Å | 1.61Å | |
| O2 | C9 | sing | 1.43Å | 1.43Å | |
| P | O8 | sing | 1.61Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.54Å | 1.50Å | |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.10Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.10Å | |
| C14 | H7 | sing | 1.10Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.12Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.10Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.10Å | |
| C23 | H16 | sing | 1.13Å | 1.10Å | |
| C25 | H17 | sing | 1.10Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| O8 | H22 | sing | 0.97Å | 0.95Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| O | H29 | sing | 0.97Å | 0.95Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | H32 | sing | 1.08Å | 1.08Å | |
| N | H33 | sing | 0.97Å | 1.00Å | |
| N | H34 | sing | 0.97Å | 1.00Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C17 | H41 | sing | 1.09Å | 1.10Å | |
| C17 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C29 | 114.8° | 113.6° |
| C28 | C27 | C26 | 115.7° | 113.3° |
| C28 | C27 | O5 | 109.6° | 113.3° |
| C27 | C28 | H19 | 109.5° | 109.5° |
| C27 | C28 | H20 | 109.5° | 109.5° |
| C27 | C28 | H21 | 109.5° | 109.4° |
| C29 | C27 | C26 | 104.2° | 105.2° |
| C29 | C27 | O5 | 107.2° | 105.0° |
| C27 | C29 | C21 | 100.3° | 99.7° |
| C27 | C29 | H36 | 111.7° | 111.8° |
| C27 | C29 | H37 | 111.7° | 111.9° |
| C26 | C27 | O5 | 104.5° | 105.6° |
| C27 | C26 | C22 | 106.2° | 105.0° |
| C27 | C26 | C25 | 103.7° | 102.8° |
| C27 | C26 | H38 | 112.8° | 114.7° |
| C27 | O5 | C24 | 103.6° | 104.6° |
| C29 | C21 | C22 | 99.7° | 99.8° |
| C29 | C21 | C20 | 111.7° | 110.7° |
| C29 | C21 | C23 | 106.1° | 105.1° |
| C21 | C29 | H36 | 111.7° | 110.4° |
| C21 | C29 | H37 | 111.7° | 110.6° |
| C22 | C26 | C25 | 107.2° | 103.0° |
| C26 | C22 | C21 | 100.7° | 101.4° |
| C26 | C22 | H14 | 111.6° | 110.0° |
| C26 | C22 | H15 | 111.6° | 111.7° |
| C22 | C26 | H38 | 113.2° | 114.9° |
| C26 | C25 | C24 | 97.8° | 99.8° |
| C26 | C25 | H17 | 112.3° | 110.2° |
| C26 | C25 | H18 | 112.3° | 112.0° |
| C25 | C26 | H38 | 113.1° | 114.9° |
| O5 | C24 | C25 | 99.8° | 99.6° |
| O5 | C24 | C23 | 106.9° | 106.0° |
| O5 | C24 | H39 | 112.7° | 111.6° |
| C22 | C21 | C20 | 116.0° | 112.6° |
| C22 | C21 | C23 | 110.9° | 112.0° |
| C21 | C22 | H14 | 111.6° | 110.9° |
| C21 | C22 | H15 | 111.6° | 112.8° |
| O4 | C20 | C21 | 111.6° | 109.8° |
| O4 | C20 | C19 | 109.0° | 109.2° |
| O4 | C20 | H13 | 109.0° | 108.7° |
| C20 | O4 | H35 | 109.5° | 114.0° |
| C25 | C24 | C23 | 115.0° | 112.2° |
| C24 | C25 | H17 | 112.3° | 110.6° |
| C24 | C25 | H18 | 112.3° | 114.4° |
| C25 | C24 | H39 | 111.2° | 113.2° |
| C20 | C21 | C23 | 111.5° | 115.2° |
| C21 | C20 | C19 | 111.9° | 111.3° |
| C21 | C20 | H13 | 107.6° | 109.0° |
| C21 | C23 | C24 | 109.1° | 112.6° |
| C21 | C23 | C16 | 119.2° | 115.5° |
| C21 | C23 | H16 | 103.3° | 104.0° |
| C24 | C23 | C16 | 116.1° | 115.1° |
| C24 | C23 | H16 | 103.4° | 103.8° |
| C23 | C24 | H39 | 110.8° | 113.2° |
| N | C | N1 | 121.3° | 120.8° |
| N | C | C3 | 119.7° | 120.7° |
| C | N | H33 | 109.5° | 120.0° |
| C | N | H34 | 109.5° | 120.0° |
| C20 | C19 | C18 | 109.4° | 108.2° |
| C20 | C19 | H11 | 109.5° | 108.4° |
| C20 | C19 | H12 | 109.5° | 109.5° |
| C19 | C20 | H13 | 107.6° | 108.8° |
| C | N1 | C1 | 121.2° | 121.2° |
| N1 | C | C3 | 118.9° | 118.5° |
| N1 | C1 | N2 | 123.1° | 122.5° |
| N1 | C1 | H31 | 118.5° | 118.8° |
| C23 | C16 | C18 | 106.9° | 107.7° |
| C23 | C16 | C17 | 113.0° | 111.5° |
| C23 | C16 | C15 | 109.3° | 108.2° |
| C16 | C23 | H16 | 103.4° | 103.9° |
| C | C3 | C2 | 116.6° | 118.1° |
| C | C3 | N3 | 135.7° | 134.7° |
| C1 | N2 | C2 | 120.5° | 120.6° |
| N2 | C1 | H31 | 118.5° | 118.8° |
| C19 | C18 | C16 | 112.6° | 109.7° |
| C19 | C18 | C11 | 115.5° | 112.8° |
| C19 | C18 | H10 | 103.7° | 105.6° |
| C18 | C19 | H11 | 109.5° | 110.3° |
| C18 | C19 | H12 | 109.5° | 111.6° |
| C18 | C16 | C17 | 113.1° | 111.9° |
| C18 | C16 | C15 | 108.8° | 108.7° |
| C16 | C18 | C11 | 115.7° | 116.1° |
| C16 | C18 | H10 | 103.7° | 105.5° |
| C17 | C16 | C15 | 105.7° | 108.8° |
| C16 | C17 | H40 | 109.5° | 109.5° |
| C16 | C17 | H41 | 109.5° | 109.5° |
| C16 | C17 | H42 | 109.5° | 109.4° |
| C16 | C15 | C14 | 115.0° | 109.8° |
| C16 | C15 | H8 | 108.1° | 109.4° |
| C16 | C15 | H9 | 108.1° | 108.9° |
| C2 | C3 | N3 | 107.7° | 107.1° |
| C3 | C2 | N2 | 119.7° | 119.1° |
| C3 | C2 | N4 | 105.8° | 106.0° |
| C3 | N3 | C4 | 107.3° | 109.5° |
| N2 | C2 | N4 | 134.5° | 134.9° |
| C18 | C11 | C12 | 111.5° | 108.1° |
| C18 | C11 | C13 | 109.1° | 112.5° |
| C18 | C11 | C10 | 115.9° | 112.9° |
| C11 | C18 | H10 | 103.6° | 106.4° |
| C15 | C14 | C13 | 109.5° | 110.1° |
| C15 | C14 | H6 | 109.5° | 111.3° |
| C15 | C14 | H7 | 109.5° | 108.3° |
| C14 | C15 | H8 | 108.1° | 109.7° |
| C14 | C15 | H9 | 108.1° | 109.6° |
| C2 | N4 | C4 | 108.8° | 107.4° |
| C2 | N4 | C5 | 122.5° | 126.3° |
| N3 | C4 | N4 | 110.4° | 109.9° |
| N3 | C4 | H32 | 124.8° | 125.0° |
| C12 | C11 | C13 | 106.5° | 106.2° |
| C12 | C11 | C10 | 101.0° | 106.9° |
| C11 | C12 | H1 | 109.5° | 109.5° |
| C11 | C12 | H2 | 109.4° | 109.5° |
| C11 | C12 | H3 | 109.5° | 109.5° |
| C13 | C11 | C10 | 112.3° | 109.9° |
| C11 | C13 | C14 | 112.6° | 112.1° |
| C11 | C13 | H4 | 108.7° | 108.8° |
| C11 | C13 | H5 | 108.7° | 109.1° |
| C11 | C10 | O6 | 122.7° | 120.0° |
| C11 | C10 | O3 | 116.6° | 119.9° |
| O6 | C10 | O3 | 120.4° | 120.0° |
| C14 | C13 | H4 | 108.7° | 109.1° |
| C14 | C13 | H5 | 108.7° | 109.5° |
| C13 | C14 | H6 | 109.5° | 110.8° |
| C13 | C14 | H7 | 109.5° | 108.6° |
| C4 | N4 | C5 | 128.7° | 126.2° |
| N4 | C4 | H32 | 124.8° | 125.0° |
| N4 | C5 | O9 | 110.7° | 110.4° |
| N4 | C5 | C6 | 112.6° | 110.4° |
| N4 | C5 | H30 | 109.0° | 110.4° |
| C10 | O3 | P | 123.9° | 116.9° |
| O9 | C5 | C6 | 106.6° | 104.8° |
| C5 | O9 | C8 | 109.0° | 105.3° |
| O9 | C5 | H30 | 109.6° | 110.4° |
| C5 | C6 | O | 109.1° | 110.5° |
| C5 | C6 | C7 | 103.1° | 104.1° |
| C5 | C6 | H28 | 110.3° | 110.7° |
| C6 | C5 | H30 | 108.3° | 110.4° |
| O9 | C8 | C9 | 107.4° | 110.3° |
| O9 | C8 | C7 | 106.2° | 104.8° |
| O9 | C8 | H25 | 111.3° | 110.5° |
| O3 | P | O7 | 111.7° | 109.5° |
| O3 | P | O2 | 105.7° | 109.5° |
| O3 | P | O8 | 103.5° | 109.5° |
| O | C6 | C7 | 111.6° | 110.5° |
| O | C6 | H28 | 111.8° | 110.4° |
| C6 | O | H29 | 109.5° | 114.0° |
| C6 | C7 | C8 | 101.4° | 104.0° |
| C6 | C7 | O1 | 114.4° | 110.5° |
| C6 | C7 | H26 | 109.0° | 110.6° |
| C7 | C6 | H28 | 110.6° | 110.5° |
| O7 | P | O2 | 112.4° | 109.4° |
| O7 | P | O8 | 114.4° | 109.5° |
| P | O2 | C9 | 116.6° | 123.0° |
| O2 | P | O8 | 108.4° | 109.5° |
| O2 | C9 | C8 | 108.1° | 109.4° |
| O2 | C9 | H23 | 109.8° | 109.5° |
| O2 | C9 | H24 | 109.8° | 109.5° |
| P | O8 | H22 | 109.5° | 114.0° |
| C9 | C8 | C7 | 111.6° | 110.3° |
| C8 | C9 | H23 | 109.8° | 109.5° |
| C8 | C9 | H24 | 109.8° | 109.4° |
| C9 | C8 | H25 | 110.0° | 110.4° |
| C8 | C7 | O1 | 112.8° | 110.5° |
| C7 | C8 | H25 | 110.2° | 110.4° |
| C8 | C7 | H26 | 108.9° | 110.6° |
| O1 | C7 | H26 | 110.0° | 110.5° |
| C7 | O1 | H27 | 109.5° | 114.0° |
| H1 | C12 | H2 | 109.5° | 109.4° |
| H1 | C12 | H3 | 109.4° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 108.0° |
| H6 | C14 | H7 | 109.5° | 107.7° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 108.8° |
| H14 | C22 | H15 | 109.5° | 109.7° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.4° | 109.4° |
| H23 | C9 | H24 | 109.5° | 109.5° |
| H33 | N | H34 | 109.5° | 120.0° |
| H36 | C29 | H37 | 109.5° | 111.9° |
| H40 | C17 | H41 | 109.5° | 109.5° |
| H40 | C17 | H42 | 109.5° | 109.5° |
| H41 | C17 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C29 | C26 | 127.5° | 124.4° |
| C28 | C27 | C29 | O5 | 122.0° | 124.4° |
| C28 | C27 | C26 | O5 | 120.6° | 124.6° |
| C28 | C27 | C29 | C21 | 161.1° | 158.3° |
| C28 | C27 | C26 | C22 | 130.0° | 128.5° |
| C28 | C27 | C26 | C25 | 117.2° | 124.0° |
| C28 | C27 | O5 | C24 | 155.0° | 156.0° |
| C27 | C28 | H19 | H20 | 120.0° | 120.0° |
| C27 | C28 | H19 | H21 | 120.0° | 120.0° |
| C27 | C28 | H20 | H21 | 120.0° | 120.0° |
| C28 | C27 | C29 | H36 | 42.6° | 85.0° |
| C28 | C27 | C29 | H37 | 80.4° | 41.3° |
| C28 | C27 | C26 | H38 | 5.5° | 1.4° |
| C29 | C27 | C26 | O5 | 112.4° | 110.8° |
| C27 | C29 | C21 | H36 | 118.5° | 117.7° |
| C27 | C29 | C21 | H37 | 118.5° | 117.9° |
| C29 | C27 | C26 | C22 | 3.0° | 3.9° |
| C29 | C27 | C26 | C25 | 115.8° | 111.4° |
| C29 | C27 | O5 | C24 | 79.8° | 79.5° |
| C27 | C29 | C21 | C22 | 51.6° | 51.6° |
| C27 | C29 | C21 | C20 | 174.6° | 170.4° |
| C27 | C29 | C21 | C23 | 63.7° | 64.6° |
| C29 | C27 | C28 | H19 | 180.0° | 59.0° |
| C29 | C27 | C28 | H20 | 60.0° | 179.0° |
| C29 | C27 | C28 | H21 | 60.0° | 61.1° |
| C27 | C29 | H36 | H37 | 124.3° | 126.3° |
| C29 | C27 | C26 | H38 | 121.5° | 123.2° |
| C26 | C27 | C29 | C21 | 33.5° | 33.8° |
| C27 | C26 | C22 | C25 | 110.3° | 107.3° |
| C27 | C26 | C22 | H38 | 124.2° | 127.0° |
| C27 | C26 | C25 | H38 | 122.5° | 125.3° |
| C26 | C27 | O5 | C24 | 30.5° | 31.4° |
| C27 | C26 | C22 | C21 | 28.6° | 28.2° |
| C27 | C26 | C25 | C24 | 32.9° | 29.8° |
| C27 | C26 | C22 | H14 | 147.1° | 89.3° |
| C27 | C26 | C22 | H15 | 90.0° | 148.6° |
| C27 | C26 | C25 | H17 | 85.1° | 86.6° |
| C27 | C26 | C25 | H18 | 151.0° | 151.3° |
| C26 | C27 | C28 | H19 | 58.5° | 61.0° |
| C26 | C27 | C28 | H20 | 178.5° | 59.1° |
| C26 | C27 | C28 | H21 | 61.5° | 179.0° |
| C26 | C27 | C29 | H36 | 84.9° | 150.5° |
| C26 | C27 | C29 | H37 | 152.0° | 83.1° |
| O5 | C27 | C29 | C21 | 76.9° | 77.4° |
| O5 | C27 | C26 | C22 | 109.5° | 106.9° |
| O5 | C27 | C26 | C25 | 3.3° | 0.6° |
| C27 | O5 | C24 | C25 | 52.5° | 50.7° |
| C27 | O5 | C24 | C23 | 67.5° | 65.9° |
| O5 | C27 | C28 | H19 | 59.3° | 178.7° |
| O5 | C27 | C28 | H20 | 60.7° | 61.3° |
| O5 | C27 | C28 | H21 | 179.3° | 58.7° |
| O5 | C27 | C29 | H36 | 164.6° | 39.3° |
| O5 | C27 | C29 | H37 | 41.5° | 165.7° |
| O5 | C27 | C26 | H38 | 126.1° | 126.0° |
| C27 | O5 | C24 | H39 | 170.5° | 170.5° |
| C29 | C21 | C22 | C26 | 49.6° | 49.5° |
| C29 | C21 | C22 | C20 | 120.0° | 117.5° |
| C29 | C21 | C22 | C23 | 111.5° | 110.8° |
| C29 | C21 | C20 | O4 | 71.8° | 74.8° |
| C29 | C21 | C20 | C23 | 118.5° | 119.1° |
| C29 | C21 | C23 | C24 | 59.2° | 60.0° |
| C29 | C21 | C20 | C19 | 165.7° | 164.2° |
| C29 | C21 | C23 | C16 | 164.2° | 165.0° |
| C29 | C21 | C20 | H13 | 47.7° | 44.2° |
| C29 | C21 | C22 | H14 | 168.2° | 67.3° |
| C29 | C21 | C22 | H15 | 68.9° | 169.1° |
| C29 | C21 | C23 | H16 | 50.4° | 51.8° |
| C21 | C29 | H36 | H37 | 124.3° | 123.6° |
| C22 | C26 | C25 | H38 | 125.5° | 125.7° |
| C26 | C22 | C21 | H14 | 118.5° | 116.8° |
| C26 | C22 | C21 | H15 | 118.6° | 119.6° |
| C22 | C26 | C25 | C24 | 79.1° | 79.2° |
| C26 | C22 | C21 | C20 | 169.6° | 167.0° |
| C26 | C22 | C21 | C23 | 61.9° | 61.3° |
| C26 | C22 | H14 | H15 | 124.1° | 123.2° |
| C22 | C26 | C25 | H17 | 162.8° | 164.4° |
| C22 | C26 | C25 | H18 | 38.9° | 42.3° |
| C26 | C25 | C24 | O5 | 52.2° | 48.9° |
| C25 | C26 | C22 | C21 | 81.7° | 79.1° |
| C26 | C25 | C24 | H17 | 118.1° | 116.1° |
| C26 | C25 | C24 | H18 | 118.0° | 119.8° |
| C26 | C25 | C24 | C23 | 61.7° | 62.9° |
| C25 | C26 | C22 | H14 | 36.8° | 163.4° |
| C25 | C26 | C22 | H15 | 159.7° | 41.3° |
| C26 | C25 | H17 | H18 | 125.4° | 123.6° |
| C26 | C25 | C24 | H39 | 171.4° | 167.4° |
| O5 | C24 | C25 | C23 | 114.0° | 111.8° |
| O5 | C24 | C25 | H39 | 119.1° | 118.5° |
| O5 | C24 | C23 | C21 | 59.9° | 58.9° |
| O5 | C24 | C23 | H39 | 123.2° | 122.6° |
| O5 | C24 | C23 | C16 | 162.0° | 165.8° |
| O5 | C24 | C23 | H16 | 49.6° | 53.0° |
| O5 | C24 | C25 | H17 | 65.8° | 67.2° |
| O5 | C24 | C25 | H18 | 170.3° | 168.7° |
| C22 | C21 | C20 | O4 | 41.5° | 36.0° |
| C22 | C21 | C20 | C23 | 128.2° | 130.1° |
| C22 | C21 | C23 | C24 | 48.2° | 47.5° |
| C22 | C21 | C20 | C19 | 81.0° | 85.0° |
| C22 | C21 | C23 | C16 | 88.4° | 87.6° |
| C22 | C21 | C20 | H13 | 161.0° | 155.0° |
| C21 | C22 | H14 | H15 | 124.1° | 125.3° |
| C22 | C21 | C23 | H16 | 157.8° | 159.2° |
| C22 | C21 | C29 | H36 | 66.9° | 169.3° |
| C22 | C21 | C29 | H37 | 170.1° | 66.4° |
| C21 | C22 | C26 | H38 | 152.8° | 155.1° |
| O4 | C20 | C21 | C19 | 122.5° | 121.0° |
| O4 | C20 | C21 | H13 | 119.5° | 119.0° |
| O4 | C20 | C21 | C23 | 169.7° | 166.1° |
| O4 | C20 | C19 | H13 | 118.0° | 118.5° |
| O4 | C20 | C19 | C18 | 177.0° | 178.0° |
| O4 | C20 | C19 | H11 | 63.1° | 62.4° |
| O4 | C20 | C19 | H12 | 57.0° | 56.1° |
| C25 | C24 | C23 | C21 | 49.8° | 48.8° |
| C25 | C24 | C23 | H39 | 127.1° | 129.7° |
| C25 | C24 | C23 | C16 | 88.3° | 86.5° |
| C25 | C24 | C23 | H16 | 159.3° | 160.7° |
| C24 | C25 | H17 | H18 | 125.4° | 126.9° |
| C24 | C25 | C26 | H38 | 155.4° | 155.1° |
| C20 | C21 | C23 | C24 | 179.0° | 177.9° |
| C21 | C20 | C19 | H13 | 118.0° | 120.1° |
| C20 | C21 | C23 | C16 | 42.4° | 42.8° |
| C21 | C20 | C19 | C18 | 59.1° | 56.6° |
| C21 | C20 | C19 | H11 | 60.9° | 176.3° |
| C21 | C20 | C19 | H12 | 179.0° | 65.2° |
| C20 | C21 | C22 | H14 | 71.8° | 50.2° |
| C20 | C21 | C22 | H15 | 51.1° | 73.4° |
| C20 | C21 | C23 | H16 | 71.4° | 70.4° |
| C21 | C20 | O4 | H35 | 180.0° | 177.7° |
| C20 | C21 | C29 | H36 | 56.2° | 71.9° |
| C20 | C21 | C29 | H37 | 66.9° | 52.4° |
| C21 | C23 | C24 | C16 | 138.1° | 135.3° |
| C21 | C23 | C24 | H16 | 109.5° | 111.9° |
| C23 | C21 | C20 | C19 | 47.2° | 45.1° |
| C21 | C23 | C16 | H16 | 113.8° | 113.3° |
| C21 | C23 | C16 | C18 | 45.3° | 49.7° |
| C21 | C23 | C16 | C17 | 79.7° | 73.4° |
| C21 | C23 | C16 | C15 | 162.9° | 167.1° |
| C23 | C21 | C20 | H13 | 70.8° | 74.9° |
| C23 | C21 | C22 | H14 | 56.6° | 178.1° |
| C23 | C21 | C22 | H15 | 179.5° | 58.3° |
| C23 | C21 | C29 | H36 | 177.8° | 53.1° |
| C23 | C21 | C29 | H37 | 54.8° | 177.5° |
| C21 | C23 | C24 | H39 | 176.9° | 178.4° |
| C24 | C23 | C16 | H16 | 112.4° | 112.7° |
| C24 | C23 | C16 | C18 | 179.1° | 176.3° |
| C24 | C23 | C16 | C17 | 54.0° | 60.6° |
| C24 | C23 | C16 | C15 | 63.3° | 58.9° |
| C23 | C24 | C25 | H17 | 179.8° | 179.0° |
| C23 | C24 | C25 | H18 | 56.3° | 56.9° |
| N | C | N1 | C3 | 179.3° | 179.9° |
| N | C | N1 | C1 | 179.8° | 179.9° |
| N | C | C3 | C2 | 178.7° | 179.9° |
| N | C | C3 | N3 | 0.6° | 0.4° |
| C | N | H33 | H34 | 120.0° | 179.8° |
| C20 | C19 | C18 | H11 | 120.0° | 118.4° |
| C20 | C19 | C18 | H12 | 120.0° | 120.6° |
| C20 | C19 | C18 | C16 | 65.1° | 67.1° |
| C20 | C19 | C18 | C11 | 158.8° | 161.9° |
| C20 | C19 | C18 | H10 | 46.2° | 46.2° |
| C20 | C19 | H11 | H12 | 120.1° | 119.0° |
| C19 | C20 | O4 | H35 | 55.9° | 60.1° |
| C | N1 | C1 | N2 | 1.5° | 0.1° |
| N1 | C | C3 | C2 | 0.6° | 0.0° |
| N1 | C | C3 | N3 | 178.7° | 179.7° |
| C | N1 | C1 | H31 | 178.5° | 180.0° |
| N1 | C | N | H33 | 0.0° | 0.1° |
| N1 | C | N | H34 | 120.0° | 179.9° |
| C1 | N1 | C | C3 | 1.0° | 0.0° |
| N1 | C1 | N2 | H31 | 180.0° | 180.0° |
| N1 | C1 | N2 | C2 | 0.3° | 0.1° |
| C23 | C16 | C18 | C19 | 55.5° | 62.2° |
| C23 | C16 | C18 | C17 | 125.0° | 122.8° |
| C23 | C16 | C18 | C15 | 117.9° | 117.0° |
| C23 | C16 | C17 | C15 | 119.5° | 119.2° |
| C23 | C16 | C18 | C11 | 168.6° | 168.5° |
| C23 | C16 | C15 | C14 | 167.6° | 175.3° |
| C23 | C16 | C15 | H8 | 46.7° | 64.3° |
| C23 | C16 | C15 | H9 | 71.6° | 55.4° |
| C23 | C16 | C18 | H10 | 55.9° | 51.0° |
| C16 | C23 | C24 | H39 | 38.8° | 43.1° |
| C23 | C16 | C17 | H40 | 180.0° | 179.4° |
| C23 | C16 | C17 | H41 | 60.0° | 59.3° |
| C23 | C16 | C17 | H42 | 60.0° | 60.7° |
| C | C3 | C2 | N3 | 178.6° | 179.7° |
| C | C3 | C2 | N2 | 1.8° | 0.0° |
| C | C3 | C2 | N4 | 179.8° | 180.0° |
| C | C3 | N3 | C4 | 179.9° | 179.9° |
| C3 | C | N | H33 | 179.3° | 180.0° |
| C3 | C | N | H34 | 59.3° | 0.2° |
| C1 | N2 | C2 | C3 | 1.3° | 0.1° |
| C1 | N2 | C2 | N4 | 179.3° | 180.0° |
| C19 | C18 | C16 | C11 | 135.9° | 129.3° |
| C19 | C18 | C16 | H10 | 111.4° | 113.3° |
| C19 | C18 | C16 | C17 | 69.4° | 60.6° |
| C19 | C18 | C16 | C15 | 173.5° | 179.2° |
| C19 | C18 | C11 | H10 | 112.6° | 115.3° |
| C19 | C18 | C11 | C12 | 54.5° | 69.0° |
| C19 | C18 | C11 | C13 | 171.9° | 174.0° |
| C19 | C18 | C11 | C10 | 60.2° | 49.0° |
| C18 | C19 | H11 | H12 | 120.0° | 122.7° |
| C18 | C19 | C20 | H13 | 58.9° | 63.5° |
| C18 | C16 | C17 | C15 | 118.9° | 120.1° |
| C16 | C18 | C11 | H10 | 112.7° | 117.0° |
| C18 | C16 | C15 | C14 | 51.1° | 58.6° |
| C16 | C18 | C11 | C12 | 170.9° | 163.2° |
| C16 | C18 | C11 | C13 | 53.5° | 46.3° |
| C16 | C18 | C11 | C10 | 74.4° | 78.7° |
| C18 | C16 | C15 | H8 | 69.7° | 179.0° |
| C18 | C16 | C15 | H9 | 171.9° | 61.3° |
| C16 | C18 | C19 | H11 | 54.8° | 174.6° |
| C16 | C18 | C19 | H12 | 174.9° | 53.5° |
| C18 | C16 | C23 | H16 | 68.5° | 63.6° |
| C18 | C16 | C17 | H40 | 58.4° | 60.0° |
| C18 | C16 | C17 | H41 | 178.4° | 180.0° |
| C18 | C16 | C17 | H42 | 61.6° | 60.0° |
| C17 | C16 | C18 | C11 | 66.5° | 68.7° |
| C17 | C16 | C15 | C14 | 70.6° | 63.5° |
| C17 | C16 | C15 | H8 | 168.6° | 56.9° |
| C17 | C16 | C15 | H9 | 50.2° | 176.6° |
| C17 | C16 | C18 | H10 | 179.2° | 173.9° |
| C17 | C16 | C23 | H16 | 166.5° | 173.3° |
| C16 | C17 | H40 | H41 | 120.0° | 120.0° |
| C16 | C17 | H40 | H42 | 120.0° | 120.0° |
| C16 | C17 | H41 | H42 | 120.0° | 120.0° |
| C15 | C16 | C18 | C11 | 50.6° | 51.5° |
| C16 | C15 | C14 | H8 | 120.8° | 120.2° |
| C16 | C15 | C14 | H9 | 120.8° | 119.5° |
| C16 | C15 | C14 | C13 | 55.2° | 62.8° |
| C16 | C15 | C14 | H6 | 175.2° | 60.6° |
| C16 | C15 | C14 | H7 | 64.8° | 178.7° |
| C16 | C15 | H8 | H9 | 117.5° | 119.3° |
| C15 | C16 | C18 | H10 | 62.1° | 66.0° |
| C15 | C16 | C23 | H16 | 49.1° | 53.8° |
| C15 | C16 | C17 | H40 | 60.5° | 60.2° |
| C15 | C16 | C17 | H41 | 59.5° | 59.9° |
| C15 | C16 | C17 | H42 | 179.5° | 179.9° |
| C3 | C2 | N2 | N4 | 177.9° | 180.0° |
| C2 | C3 | N3 | C4 | 1.7° | 0.5° |
| C3 | C2 | N4 | C4 | 0.2° | 0.0° |
| C3 | C2 | N4 | C5 | 178.6° | 179.7° |
| N3 | C3 | C2 | N2 | 179.6° | 179.7° |
| N3 | C3 | C2 | N4 | 1.2° | 0.3° |
| C3 | N3 | C4 | N4 | 1.6° | 0.5° |
| C3 | N3 | C4 | H32 | 178.4° | 179.6° |
| N2 | C2 | N4 | C4 | 178.3° | 180.0° |
| N2 | C2 | N4 | C5 | 0.5° | 0.3° |
| C2 | N2 | C1 | H31 | 179.7° | 179.9° |
| C18 | C11 | C12 | C13 | 118.9° | 120.9° |
| C18 | C11 | C12 | C10 | 123.7° | 121.8° |
| C18 | C11 | C13 | C10 | 129.9° | 126.6° |
| C18 | C11 | C10 | O6 | 36.5° | 1.3° |
| C18 | C11 | C13 | C14 | 55.6° | 47.6° |
| C18 | C11 | C10 | O3 | 149.2° | 178.7° |
| C18 | C11 | C12 | H1 | 180.0° | 179.1° |
| C18 | C11 | C12 | H2 | 60.0° | 59.1° |
| C18 | C11 | C12 | H3 | 60.0° | 60.9° |
| C18 | C11 | C13 | H4 | 176.1° | 168.4° |
| C18 | C11 | C13 | H5 | 64.8° | 73.9° |
| C11 | C18 | C19 | H11 | 81.2° | 43.5° |
| C11 | C18 | C19 | H12 | 38.8° | 77.5° |
| C15 | C14 | C13 | C11 | 56.7° | 56.6° |
| C15 | C14 | C13 | H6 | 120.0° | 123.6° |
| C15 | C14 | C13 | H7 | 120.0° | 118.4° |
| C15 | C14 | C13 | H4 | 177.1° | 177.3° |
| C15 | C14 | C13 | H5 | 63.7° | 64.7° |
| C15 | C14 | H6 | H7 | 120.0° | 118.5° |
| C14 | C15 | H8 | H9 | 117.5° | 120.3° |
| C2 | N4 | C4 | N3 | 0.9° | 0.3° |
| C2 | N4 | C4 | C5 | 178.7° | 179.7° |
| C2 | N4 | C5 | O9 | 90.3° | 156.2° |
| C2 | N4 | C5 | C6 | 150.5° | 88.4° |
| C2 | N4 | C5 | H30 | 30.3° | 33.8° |
| C2 | N4 | C4 | H32 | 179.1° | 179.7° |
| N3 | C4 | N4 | H32 | 180.0° | 180.0° |
| N3 | C4 | N4 | C5 | 179.5° | 180.0° |
| C12 | C11 | C13 | C10 | 109.6° | 115.3° |
| C12 | C11 | C10 | O6 | 84.1° | 120.0° |
| C12 | C11 | C13 | C14 | 176.1° | 165.6° |
| C12 | C11 | C10 | O3 | 90.2° | 60.0° |
| C11 | C12 | H1 | H2 | 120.0° | 120.0° |
| C11 | C12 | H1 | H3 | 120.0° | 120.0° |
| C11 | C12 | H2 | H3 | 120.0° | 120.0° |
| C12 | C11 | C13 | H4 | 63.4° | 73.6° |
| C12 | C11 | C13 | H5 | 55.7° | 44.1° |
| C12 | C11 | C18 | H10 | 58.1° | 46.2° |
| C13 | C11 | C10 | O6 | 162.8° | 125.1° |
| C11 | C13 | C14 | H4 | 120.4° | 120.6° |
| C11 | C13 | C14 | H5 | 120.5° | 121.3° |
| C13 | C11 | C10 | O3 | 22.9° | 54.9° |
| C13 | C11 | C12 | H1 | 61.0° | 60.0° |
| C13 | C11 | C12 | H2 | 178.9° | 180.0° |
| C13 | C11 | C12 | H3 | 58.9° | 60.0° |
| C11 | C13 | H4 | H5 | 118.6° | 118.4° |
| C11 | C13 | C14 | H6 | 176.7° | 67.0° |
| C11 | C13 | C14 | H7 | 63.3° | 175.0° |
| C13 | C11 | C18 | H10 | 59.2° | 70.7° |
| C11 | C10 | O6 | O3 | 174.1° | 180.0° |
| C10 | C11 | C13 | C14 | 74.3° | 79.0° |
| C11 | C10 | O3 | P | 163.4° | 180.0° |
| C10 | C11 | C12 | H1 | 56.3° | 57.3° |
| C10 | C11 | C12 | H2 | 63.7° | 62.7° |
| C10 | C11 | C12 | H3 | 176.3° | 177.4° |
| C10 | C11 | C13 | H4 | 46.2° | 41.8° |
| C10 | C11 | C13 | H5 | 165.3° | 159.4° |
| C10 | C11 | C18 | H10 | 172.9° | 164.3° |
| O6 | C10 | O3 | P | 11.1° | 0.0° |
| C14 | C13 | H4 | H5 | 118.6° | 119.0° |
| C13 | C14 | H6 | H7 | 120.0° | 118.6° |
| C13 | C14 | C15 | H8 | 65.7° | 177.0° |
| C13 | C14 | C15 | H9 | 176.0° | 56.7° |
| C4 | N4 | C5 | O9 | 91.2° | 23.5° |
| C4 | N4 | C5 | C6 | 28.0° | 91.9° |
| C4 | N4 | C5 | H30 | 148.2° | 145.9° |
| N4 | C5 | O9 | C6 | 122.8° | 118.8° |
| N4 | C5 | O9 | H30 | 120.2° | 122.3° |
| N4 | C5 | C6 | H30 | 120.6° | 122.3° |
| N4 | C5 | O9 | C8 | 121.4° | 159.4° |
| N4 | C5 | C6 | O | 143.1° | 98.5° |
| N4 | C5 | C6 | C7 | 98.2° | 142.8° |
| N4 | C5 | C6 | H28 | 19.9° | 24.1° |
| C5 | N4 | C4 | H32 | 0.5° | 0.0° |
| C10 | O3 | P | O7 | 70.7° | 55.0° |
| C10 | O3 | P | O2 | 51.9° | 175.0° |
| C10 | O3 | P | O8 | 165.8° | 65.0° |
| O9 | C5 | C6 | H30 | 117.9° | 118.9° |
| O9 | C5 | C6 | O | 95.4° | 142.6° |
| O9 | C5 | C6 | C7 | 23.4° | 24.0° |
| C5 | O9 | C8 | C9 | 141.0° | 159.3° |
| C5 | O9 | C8 | C7 | 21.5° | 40.6° |
| C5 | O9 | C8 | H25 | 98.5° | 78.3° |
| O9 | C5 | C6 | H28 | 141.5° | 94.7° |
| C6 | C5 | O9 | C8 | 1.4° | 40.6° |
| C5 | C6 | O | C7 | 113.3° | 114.7° |
| C5 | C6 | O | H28 | 122.3° | 122.8° |
| C5 | C6 | C7 | H28 | 117.9° | 118.8° |
| C5 | C6 | C7 | C8 | 34.8° | 0.0° |
| C5 | C6 | C7 | O1 | 156.5° | 118.6° |
| C5 | C6 | C7 | H26 | 80.0° | 118.7° |
| C5 | C6 | O | H29 | 180.0° | 176.1° |
| O9 | C8 | C7 | C6 | 35.2° | 24.0° |
| O9 | C8 | C9 | O2 | 60.7° | 69.7° |
| O9 | C8 | C9 | C7 | 116.1° | 115.3° |
| O9 | C8 | C9 | H25 | 121.3° | 122.4° |
| O9 | C8 | C7 | H25 | 120.7° | 118.9° |
| O9 | C8 | C7 | O1 | 158.0° | 142.6° |
| O9 | C8 | C9 | H23 | 59.1° | 50.4° |
| O9 | C8 | C9 | H24 | 179.5° | 170.4° |
| O9 | C8 | C7 | H26 | 79.5° | 94.8° |
| C8 | O9 | C5 | H30 | 118.4° | 78.3° |
| O3 | P | O7 | O2 | 118.7° | 120.0° |
| O3 | P | O7 | O8 | 117.2° | 120.0° |
| O3 | P | O2 | O8 | 110.4° | 120.0° |
| O3 | P | O2 | C9 | 65.6° | 175.0° |
| O3 | P | O8 | H22 | 121.7° | 60.1° |
| O | C6 | C7 | H28 | 125.1° | 122.5° |
| O | C6 | C7 | C8 | 82.2° | 118.6° |
| O | C6 | C7 | O1 | 39.5° | 0.0° |
| O | C6 | C7 | H26 | 163.0° | 122.6° |
| O | C6 | C5 | H30 | 22.5° | 23.8° |
| C6 | C7 | C8 | C9 | 152.0° | 142.8° |
| C6 | C7 | C8 | O1 | 122.8° | 118.6° |
| C6 | C7 | C8 | H26 | 114.8° | 118.8° |
| C6 | C7 | O1 | H26 | 123.0° | 122.7° |
| C6 | C7 | C8 | H25 | 85.4° | 94.9° |
| C6 | C7 | O1 | H27 | 180.0° | 65.4° |
| C7 | C6 | O | H29 | 66.7° | 61.4° |
| C7 | C6 | C5 | H30 | 141.2° | 94.9° |
| O7 | P | O2 | O8 | 127.5° | 120.0° |
| O7 | P | O2 | C9 | 172.3° | 55.0° |
| O7 | P | O8 | H22 | 0.0° | 179.9° |
| P | O2 | C9 | C8 | 176.9° | 180.0° |
| O2 | P | O8 | H22 | 126.3° | 59.9° |
| P | O2 | C9 | H23 | 57.1° | 60.0° |
| P | O2 | C9 | H24 | 63.3° | 60.0° |
| C9 | O2 | P | O8 | 44.9° | 65.0° |
| O2 | C9 | C8 | H23 | 119.8° | 120.0° |
| O2 | C9 | C8 | H24 | 119.8° | 120.0° |
| O2 | C9 | C8 | C7 | 176.7° | 175.0° |
| O2 | C9 | H23 | H24 | 120.6° | 120.0° |
| O2 | C9 | C8 | H25 | 60.6° | 52.7° |
| C9 | C8 | C7 | H25 | 122.6° | 122.3° |
| C9 | C8 | C7 | O1 | 85.2° | 98.6° |
| C8 | C9 | H23 | H24 | 120.6° | 120.0° |
| C9 | C8 | C7 | H26 | 37.2° | 24.0° |
| C8 | C7 | O1 | H26 | 121.8° | 122.7° |
| C7 | C8 | C9 | H23 | 56.9° | 65.0° |
| C7 | C8 | C9 | H24 | 63.5° | 55.0° |
| C8 | C7 | O1 | H27 | 64.8° | 180.0° |
| C8 | C7 | C6 | H28 | 152.7° | 118.8° |
| O1 | C7 | C8 | H25 | 37.4° | 23.7° |
| O1 | C7 | C6 | H28 | 85.6° | 122.5° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H4 | C13 | C14 | H6 | 62.8° | 53.7° |
| H4 | C13 | C14 | H7 | 57.1° | 64.4° |
| H5 | C13 | C14 | H6 | 56.3° | 171.7° |
| H5 | C13 | C14 | H7 | 176.2° | 53.7° |
| H6 | C14 | C15 | H8 | 54.4° | 59.7° |
| H6 | C14 | C15 | H9 | 64.0° | 180.0° |
| H7 | C14 | C15 | H8 | 174.3° | 58.5° |
| H7 | C14 | C15 | H9 | 55.9° | 61.8° |
| H10 | C18 | C19 | H11 | 166.2° | 72.2° |
| H10 | C18 | C19 | H12 | 73.7° | 166.7° |
| H11 | C19 | C20 | H13 | 178.9° | 56.1° |
| H12 | C19 | C20 | H13 | 61.0° | 174.7° |
| H13 | C20 | O4 | H35 | 61.3° | 58.5° |
| H14 | C22 | C26 | H38 | 88.7° | 37.6° |
| H15 | C22 | C26 | H38 | 34.2° | 84.4° |
| H16 | C23 | C24 | H39 | 73.6° | 69.7° |
| H17 | C25 | C26 | H38 | 37.3° | 38.7° |
| H17 | C25 | C24 | H39 | 53.3° | 51.3° |
| H18 | C25 | C26 | H38 | 86.6° | 83.4° |
| H18 | C25 | C24 | H39 | 70.6° | 72.8° |
| H19 | C28 | H20 | H21 | 120.0° | 120.0° |
| H23 | C9 | C8 | H25 | 179.6° | 172.7° |
| H24 | C9 | C8 | H25 | 59.1° | 67.3° |
| H25 | C8 | C7 | H26 | 159.8° | 146.3° |
| H26 | C7 | O1 | H27 | 57.0° | 57.3° |
| H26 | C7 | C6 | H28 | 37.9° | 0.1° |
| H28 | C6 | O | H29 | 57.7° | 61.1° |
| H28 | C6 | C5 | H30 | 100.7° | 146.4° |
| H40 | C17 | H41 | H42 | 120.0° | 120.0° |
