8JJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | sing | 1.44Å | 1.44Å | |
| C1 | C2 | sing | 1.54Å | 1.52Å | |
| C1 | C | sing | 1.52Å | 1.53Å | |
| C1 | C5 | sing | 1.54Å | 1.52Å | |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.56Å | 1.51Å | |
| C2 | C29 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C20 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C19 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | C4 | sing | 1.52Å | 1.53Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| C4 | C27 | sing | 1.52Å | 1.53Å | |
| C29 | C28 | sing | 1.51Å | 1.56Å | |
| N3 | C21 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C19 | N4 | sing | 1.38Å | 1.36Å | |
| C19 | C18 | doub | 1.40Å | 1.49Å | Aromatic |
| C28 | C27 | sing | 1.52Å | 1.54Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| O9 | C11 | doub | 1.21Å | 1.22Å | |
| C26 | C25 | sing | 1.52Å | 1.53Å | |
| C21 | C18 | sing | 1.41Å | 1.47Å | Aromatic |
| C21 | N | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | C25 | sing | 1.52Å | 1.56Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C25 | C24 | sing | 1.54Å | 1.53Å | |
| C18 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| O7 | P | doub | 1.48Å | 1.61Å | |
| O4 | C16 | sing | 1.44Å | 1.43Å | |
| O4 | C13 | sing | 1.44Å | 1.42Å | |
| C11 | C9 | sing | 1.50Å | 1.51Å | |
| C11 | O2 | sing | 1.34Å | 1.47Å | |
| C16 | N | sing | 1.46Å | 1.48Å | |
| C16 | C15 | sing | 1.55Å | 1.53Å | |
| N | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.55Å | 1.53Å | |
| C9 | C22 | sing | 1.53Å | 1.52Å | |
| O3 | P | sing | 1.61Å | 1.60Å | |
| O3 | C12 | sing | 1.43Å | 1.41Å | |
| N1 | C17 | doub | 1.30Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| P | O2 | sing | 1.61Å | 1.65Å | |
| P | O8 | sing | 1.61Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | sing | 1.54Å | 1.51Å | |
| O5 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.55Å | 1.51Å | |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C14 | O6 | sing | 1.43Å | 1.44Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.08Å | 1.10Å | |
| C3 | H6 | sing | 1.10Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.12Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.10Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.08Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å | |
| C27 | H31 | sing | 1.12Å | 1.10Å | |
| C28 | H32 | sing | 1.10Å | 1.10Å | |
| C28 | H33 | sing | 1.10Å | 1.10Å | |
| C29 | H34 | sing | 1.10Å | 1.10Å | |
| C29 | H35 | sing | 1.10Å | 1.10Å | |
| C2 | H36 | sing | 1.10Å | 1.10Å | |
| O | H37 | sing | 0.97Å | 0.95Å | |
| C | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å | |
| C | H40 | sing | 1.09Å | 1.10Å | |
| O8 | H41 | sing | 0.97Å | 0.95Å | |
| O5 | H42 | sing | 0.97Å | 0.95Å | |
| O6 | H43 | sing | 0.97Å | 0.95Å | |
| C20 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C1 | C2 | 107.1° | 109.3° |
| O | C1 | C | 109.6° | 109.1° |
| O | C1 | C5 | 107.3° | 109.1° |
| C1 | O | H37 | 109.5° | 114.1° |
| C2 | C1 | C | 114.7° | 112.3° |
| C2 | C1 | C5 | 105.2° | 105.8° |
| C1 | C2 | C3 | 103.1° | 102.0° |
| C1 | C2 | C29 | 113.3° | 112.4° |
| C1 | C2 | H36 | 110.7° | 111.7° |
| C | C1 | C5 | 112.5° | 111.2° |
| C1 | C | H38 | 109.5° | 109.5° |
| C1 | C | H39 | 109.5° | 109.5° |
| C1 | C | H40 | 109.5° | 109.5° |
| C1 | C5 | C4 | 105.2° | 105.6° |
| C1 | C5 | H1 | 110.5° | 110.6° |
| C1 | C5 | H2 | 110.5° | 110.7° |
| O1 | C6 | C4 | 110.4° | 110.1° |
| O1 | C6 | C7 | 108.9° | 109.6° |
| O1 | C6 | H7 | 109.6° | 109.5° |
| C6 | O1 | H30 | 109.5° | 114.0° |
| C3 | C2 | C29 | 108.0° | 106.6° |
| C2 | C3 | C4 | 100.4° | 100.4° |
| C2 | C3 | H5 | 111.7° | 112.0° |
| C2 | C3 | H6 | 111.7° | 109.4° |
| C3 | C2 | H36 | 110.8° | 111.2° |
| C2 | C29 | C28 | 113.5° | 114.5° |
| C2 | C29 | H34 | 108.4° | 108.4° |
| C2 | C29 | H35 | 108.5° | 110.0° |
| C29 | C2 | H36 | 110.7° | 112.3° |
| C3 | C4 | C5 | 105.0° | 103.9° |
| C3 | C4 | C6 | 113.7° | 110.5° |
| C3 | C4 | C27 | 110.9° | 111.5° |
| C4 | C3 | H5 | 111.7° | 114.6° |
| C4 | C3 | H6 | 111.7° | 110.6° |
| C5 | C4 | C6 | 106.6° | 110.4° |
| C5 | C4 | C27 | 107.8° | 106.6° |
| C4 | C5 | H1 | 110.5° | 109.5° |
| C4 | C5 | H2 | 110.5° | 109.6° |
| N2 | C20 | N3 | 122.8° | 122.4° |
| C20 | N2 | C19 | 122.0° | 121.2° |
| N2 | C20 | H44 | 118.6° | 118.8° |
| C20 | N3 | C21 | 121.6° | 120.6° |
| N3 | C20 | H44 | 118.6° | 118.8° |
| N2 | C19 | N4 | 120.3° | 120.7° |
| N2 | C19 | C18 | 117.7° | 118.5° |
| C4 | C6 | C7 | 111.4° | 109.5° |
| C6 | C4 | C27 | 112.3° | 113.5° |
| C4 | C6 | H7 | 108.2° | 109.2° |
| C6 | C7 | C8 | 108.0° | 107.0° |
| C7 | C6 | H7 | 108.3° | 109.0° |
| C6 | C7 | H28 | 109.8° | 109.4° |
| C6 | C7 | H29 | 109.8° | 108.6° |
| C4 | C27 | C28 | 110.8° | 112.4° |
| C4 | C27 | C25 | 114.3° | 115.5° |
| C4 | C27 | H31 | 105.5° | 105.1° |
| C29 | C28 | C27 | 116.9° | 116.1° |
| C29 | C28 | H32 | 107.6° | 108.3° |
| C29 | C28 | H33 | 107.6° | 109.2° |
| C28 | C29 | H34 | 108.5° | 108.5° |
| C28 | C29 | H35 | 108.5° | 109.6° |
| N3 | C21 | C18 | 119.3° | 119.1° |
| N3 | C21 | N | 134.1° | 134.9° |
| C7 | C8 | C25 | 112.3° | 110.3° |
| C7 | C8 | C9 | 112.9° | 113.2° |
| C7 | C8 | H8 | 104.3° | 105.1° |
| C8 | C7 | H28 | 109.9° | 111.2° |
| C8 | C7 | H29 | 109.9° | 111.0° |
| N4 | C19 | C18 | 122.0° | 120.8° |
| C19 | N4 | H3 | 109.5° | 120.1° |
| C19 | N4 | H4 | 109.5° | 119.9° |
| C19 | C18 | C21 | 116.6° | 118.2° |
| C19 | C18 | N1 | 136.3° | 134.7° |
| C28 | C27 | C25 | 114.4° | 113.4° |
| C28 | C27 | H31 | 105.4° | 104.7° |
| C27 | C28 | H32 | 107.6° | 108.8° |
| C27 | C28 | H33 | 107.6° | 108.4° |
| C27 | C25 | C26 | 111.0° | 110.4° |
| C27 | C25 | C8 | 106.6° | 108.7° |
| C27 | C25 | C24 | 108.3° | 108.0° |
| C25 | C27 | H31 | 105.4° | 104.4° |
| O9 | C11 | C9 | 119.1° | 120.0° |
| O9 | C11 | O2 | 119.5° | 120.0° |
| C26 | C25 | C8 | 116.0° | 113.2° |
| C26 | C25 | C24 | 105.8° | 108.2° |
| C25 | C26 | H25 | 109.5° | 109.5° |
| C25 | C26 | H26 | 109.4° | 109.5° |
| C25 | C26 | H27 | 109.4° | 109.5° |
| C18 | C21 | N | 106.6° | 106.0° |
| C21 | C18 | N1 | 107.1° | 107.1° |
| C21 | N | C16 | 125.3° | 126.3° |
| C21 | N | C17 | 108.1° | 107.4° |
| C25 | C8 | C9 | 117.6° | 115.9° |
| C8 | C25 | C24 | 108.9° | 108.2° |
| C25 | C8 | H8 | 103.9° | 105.5° |
| C8 | C9 | C11 | 114.5° | 113.4° |
| C8 | C9 | C10 | 110.6° | 108.3° |
| C8 | C9 | C22 | 107.8° | 111.3° |
| C9 | C8 | H8 | 104.1° | 105.8° |
| C25 | C24 | C23 | 112.7° | 109.6° |
| C25 | C24 | H23 | 108.6° | 109.3° |
| C25 | C24 | H24 | 108.6° | 108.9° |
| C18 | N1 | C17 | 106.7° | 109.4° |
| O7 | P | O3 | 108.1° | 109.5° |
| O7 | P | O2 | 114.2° | 109.5° |
| O7 | P | O8 | 111.4° | 109.5° |
| C16 | O4 | C13 | 108.8° | 107.0° |
| O4 | C16 | N | 108.0° | 110.7° |
| O4 | C16 | C15 | 106.9° | 103.5° |
| O4 | C16 | H15 | 110.7° | 110.8° |
| O4 | C13 | C12 | 109.9° | 109.9° |
| O4 | C13 | C14 | 106.3° | 107.3° |
| O4 | C13 | H18 | 111.7° | 110.1° |
| C9 | C11 | O2 | 121.4° | 120.0° |
| C11 | C9 | C10 | 105.8° | 107.0° |
| C11 | C9 | C22 | 109.6° | 110.2° |
| C11 | O2 | P | 125.7° | 117.0° |
| N | C16 | C15 | 112.0° | 110.6° |
| C16 | N | C17 | 126.5° | 126.3° |
| N | C16 | H15 | 110.0° | 110.5° |
| C16 | C15 | O5 | 112.7° | 110.9° |
| C16 | C15 | C14 | 103.9° | 102.1° |
| C15 | C16 | H15 | 109.2° | 110.6° |
| C16 | C15 | H16 | 109.2° | 110.9° |
| N | C17 | N1 | 111.5° | 110.0° |
| N | C17 | H14 | 124.3° | 125.0° |
| C10 | C9 | C22 | 108.4° | 106.2° |
| C9 | C10 | H9 | 109.5° | 109.4° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C22 | C23 | 110.7° | 111.5° |
| C9 | C22 | H19 | 109.2° | 108.9° |
| C9 | C22 | H20 | 109.2° | 108.9° |
| P | O3 | C12 | 115.6° | 123.0° |
| O3 | P | O2 | 104.5° | 109.4° |
| O3 | P | O8 | 107.5° | 109.5° |
| O3 | C12 | C13 | 109.7° | 109.4° |
| O3 | C12 | H12 | 109.4° | 109.5° |
| O3 | C12 | H13 | 109.4° | 109.5° |
| N1 | C17 | H14 | 124.2° | 125.0° |
| C24 | C23 | C22 | 113.5° | 110.0° |
| C24 | C23 | H21 | 108.5° | 111.3° |
| C24 | C23 | H22 | 108.4° | 108.3° |
| C23 | C24 | H23 | 108.6° | 109.6° |
| C23 | C24 | H24 | 108.7° | 109.6° |
| O2 | P | O8 | 110.7° | 109.5° |
| P | O8 | H41 | 109.5° | 114.0° |
| C12 | C13 | C14 | 107.9° | 109.8° |
| C13 | C12 | H12 | 109.4° | 109.5° |
| C13 | C12 | H13 | 109.4° | 109.4° |
| C12 | C13 | H18 | 110.5° | 109.9° |
| C13 | C14 | C15 | 101.6° | 104.2° |
| C13 | C14 | O6 | 111.0° | 110.5° |
| C13 | C14 | H17 | 108.8° | 110.6° |
| C14 | C13 | H18 | 110.4° | 109.8° |
| O5 | C15 | C14 | 110.6° | 110.9° |
| O5 | C15 | H16 | 110.6° | 110.8° |
| C15 | O5 | H42 | 109.5° | 114.0° |
| C15 | C14 | O6 | 116.3° | 110.5° |
| C14 | C15 | H16 | 109.6° | 110.9° |
| C15 | C14 | H17 | 108.9° | 110.5° |
| C23 | C22 | H19 | 109.1° | 109.4° |
| C23 | C22 | H20 | 109.2° | 109.4° |
| C22 | C23 | H21 | 108.4° | 110.8° |
| C22 | C23 | H22 | 108.5° | 108.5° |
| O6 | C14 | H17 | 109.8° | 110.4° |
| C14 | O6 | H43 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.5° | 110.8° |
| H3 | N4 | H4 | 109.5° | 120.0° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.6° |
| H19 | C22 | H20 | 109.4° | 108.6° |
| H21 | C23 | H22 | 109.5° | 107.7° |
| H23 | C24 | H24 | 109.5° | 109.8° |
| H25 | C26 | H26 | 109.4° | 109.5° |
| H25 | C26 | H27 | 109.5° | 109.4° |
| H26 | C26 | H27 | 109.5° | 109.4° |
| H28 | C7 | H29 | 109.5° | 109.6° |
| H32 | C28 | H33 | 109.5° | 105.5° |
| H34 | C29 | H35 | 109.5° | 105.4° |
| H38 | C | H39 | 109.4° | 109.5° |
| H38 | C | H40 | 109.5° | 109.4° |
| H39 | C | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | C2 | C | 121.9° | 121.2° |
| O | C1 | C2 | C5 | 114.0° | 117.3° |
| O | C1 | C | C5 | 119.3° | 120.4° |
| O | C1 | C2 | C3 | 79.7° | 85.0° |
| O | C1 | C2 | C29 | 163.7° | 161.3° |
| O | C1 | C5 | C4 | 104.9° | 111.5° |
| O | C1 | C5 | H1 | 14.4° | 6.9° |
| O | C1 | C5 | H2 | 135.7° | 130.1° |
| O | C1 | C2 | H36 | 38.8° | 33.9° |
| O | C1 | C | H38 | 180.0° | 178.7° |
| O | C1 | C | H39 | 60.0° | 58.7° |
| O | C1 | C | H40 | 60.0° | 61.3° |
| C2 | C1 | C | C5 | 120.2° | 118.3° |
| C1 | C2 | C3 | C29 | 120.2° | 118.0° |
| C1 | C2 | C3 | H36 | 118.4° | 119.2° |
| C1 | C2 | C29 | H36 | 125.0° | 127.0° |
| C1 | C2 | C3 | C4 | 45.6° | 46.2° |
| C2 | C1 | C5 | C4 | 8.9° | 6.0° |
| C1 | C2 | C29 | C28 | 59.7° | 53.5° |
| C2 | C1 | C5 | H1 | 128.2° | 124.3° |
| C2 | C1 | C5 | H2 | 110.4° | 112.5° |
| C1 | C2 | C3 | H5 | 164.1° | 168.3° |
| C1 | C2 | C3 | H6 | 72.9° | 70.3° |
| C1 | C2 | C29 | H34 | 60.9° | 174.8° |
| C1 | C2 | C29 | H35 | 179.6° | 70.4° |
| C2 | C1 | O | H37 | 180.0° | 180.0° |
| C2 | C1 | C | H38 | 59.5° | 59.9° |
| C2 | C1 | C | H39 | 179.5° | 180.0° |
| C2 | C1 | C | H40 | 60.5° | 60.0° |
| C | C1 | C2 | C3 | 158.4° | 153.8° |
| C | C1 | C2 | C29 | 41.8° | 40.1° |
| C | C1 | C5 | C4 | 134.4° | 128.1° |
| C | C1 | C5 | H1 | 106.3° | 113.5° |
| C | C1 | C5 | H2 | 15.1° | 9.7° |
| C | C1 | C2 | H36 | 83.1° | 87.3° |
| C | C1 | O | H37 | 54.9° | 56.9° |
| C1 | C | H38 | H39 | 120.0° | 120.1° |
| C1 | C | H38 | H40 | 120.0° | 120.0° |
| C1 | C | H39 | H40 | 120.0° | 120.0° |
| C5 | C1 | C2 | C3 | 34.2° | 32.4° |
| C5 | C1 | C2 | C29 | 82.3° | 81.4° |
| C1 | C5 | C4 | C3 | 19.6° | 23.2° |
| C1 | C5 | C4 | H1 | 119.3° | 119.1° |
| C1 | C5 | C4 | H2 | 119.3° | 119.2° |
| C1 | C5 | C4 | C6 | 140.5° | 141.6° |
| C1 | C5 | C4 | C27 | 98.7° | 94.7° |
| C1 | C5 | H1 | H2 | 122.0° | 123.1° |
| C5 | C1 | C2 | H36 | 152.7° | 151.2° |
| C5 | C1 | O | H37 | 67.5° | 64.8° |
| C5 | C1 | C | H38 | 60.7° | 58.4° |
| C5 | C1 | C | H39 | 59.3° | 61.7° |
| C5 | C1 | C | H40 | 179.3° | 178.3° |
| O1 | C6 | C4 | C3 | 46.6° | 46.2° |
| O1 | C6 | C4 | C5 | 68.6° | 68.1° |
| O1 | C6 | C4 | C7 | 121.1° | 120.5° |
| O1 | C6 | C4 | H7 | 119.9° | 120.2° |
| O1 | C6 | C7 | H7 | 119.1° | 119.8° |
| O1 | C6 | C4 | C27 | 173.6° | 172.2° |
| O1 | C6 | C7 | C8 | 179.4° | 177.2° |
| O1 | C6 | C7 | H28 | 60.8° | 62.2° |
| O1 | C6 | C7 | H29 | 59.6° | 57.4° |
| C3 | C2 | C29 | H36 | 121.5° | 122.0° |
| C2 | C3 | C4 | H5 | 118.5° | 120.2° |
| C2 | C3 | C4 | H6 | 118.5° | 115.5° |
| C2 | C3 | C4 | C5 | 40.2° | 42.8° |
| C2 | C3 | C4 | C6 | 156.3° | 161.2° |
| C2 | C3 | C4 | C27 | 75.9° | 71.7° |
| C3 | C2 | C29 | C28 | 53.8° | 57.4° |
| C2 | C3 | H5 | H6 | 124.2° | 121.5° |
| C3 | C2 | C29 | H34 | 174.4° | 63.8° |
| C3 | C2 | C29 | H35 | 66.8° | 178.6° |
| C29 | C2 | C3 | C4 | 74.6° | 71.8° |
| C2 | C29 | C28 | H34 | 120.6° | 121.2° |
| C2 | C29 | C28 | H35 | 120.6° | 124.2° |
| C2 | C29 | C28 | C27 | 29.8° | 36.5° |
| C29 | C2 | C3 | H5 | 43.9° | 50.2° |
| C29 | C2 | C3 | H6 | 166.9° | 171.7° |
| C2 | C29 | C28 | H32 | 91.3° | 159.2° |
| C2 | C29 | C28 | H33 | 150.8° | 86.4° |
| C2 | C29 | H34 | H35 | 118.2° | 117.8° |
| C3 | C4 | C5 | C6 | 120.9° | 118.4° |
| C3 | C4 | C5 | C27 | 118.3° | 117.9° |
| C3 | C4 | C6 | C27 | 127.0° | 126.0° |
| C3 | C4 | C6 | C7 | 74.6° | 74.3° |
| C3 | C4 | C27 | C28 | 52.7° | 52.5° |
| C3 | C4 | C27 | C25 | 78.3° | 79.7° |
| C3 | C4 | C5 | H1 | 99.7° | 95.9° |
| C3 | C4 | C5 | H2 | 138.9° | 142.4° |
| C4 | C3 | H5 | H6 | 124.3° | 124.9° |
| C3 | C4 | C6 | H7 | 166.4° | 166.4° |
| C3 | C4 | C27 | H31 | 166.4° | 165.9° |
| C4 | C3 | C2 | H36 | 164.0° | 165.4° |
| C5 | C4 | C6 | C27 | 117.8° | 119.6° |
| C5 | C4 | C6 | C7 | 170.3° | 171.3° |
| C5 | C4 | C27 | C28 | 61.6° | 60.2° |
| C5 | C4 | C27 | C25 | 167.3° | 167.5° |
| C4 | C5 | H1 | H2 | 122.0° | 120.9° |
| C5 | C4 | C3 | H5 | 158.7° | 163.0° |
| C5 | C4 | C3 | H6 | 78.3° | 72.8° |
| C5 | C4 | C6 | H7 | 51.3° | 52.1° |
| C5 | C4 | C27 | H31 | 52.0° | 53.1° |
| N2 | C20 | N3 | H44 | 180.0° | 179.9° |
| N2 | C20 | N3 | C21 | 0.4° | 0.1° |
| C20 | N2 | C19 | N4 | 178.9° | 180.0° |
| C20 | N2 | C19 | C18 | 0.9° | 0.1° |
| N3 | C20 | N2 | C19 | 0.8° | 0.1° |
| C20 | N3 | C21 | C18 | 0.2° | 0.1° |
| C20 | N3 | C21 | N | 177.6° | 180.0° |
| N2 | C19 | N4 | C18 | 179.7° | 179.9° |
| N2 | C19 | C18 | C21 | 0.6° | 0.1° |
| N2 | C19 | C18 | N1 | 178.0° | 180.0° |
| N2 | C19 | N4 | H3 | 0.0° | 0.1° |
| N2 | C19 | N4 | H4 | 120.0° | 180.0° |
| C19 | N2 | C20 | H44 | 179.1° | 180.0° |
| C4 | C6 | C7 | H7 | 118.9° | 119.4° |
| C4 | C6 | C7 | C8 | 58.6° | 61.9° |
| C6 | C4 | C27 | C28 | 178.8° | 178.0° |
| C6 | C4 | C27 | C25 | 50.2° | 45.7° |
| C6 | C4 | C5 | H1 | 21.2° | 22.5° |
| C6 | C4 | C5 | H2 | 100.2° | 99.2° |
| C6 | C4 | C3 | H5 | 85.2° | 78.6° |
| C6 | C4 | C3 | H6 | 37.8° | 45.6° |
| C4 | C6 | C7 | H28 | 61.2° | 58.6° |
| C4 | C6 | C7 | H29 | 178.4° | 178.2° |
| C4 | C6 | O1 | H30 | 180.0° | 180.0° |
| C6 | C4 | C27 | H31 | 65.1° | 68.6° |
| C7 | C6 | C4 | C27 | 52.5° | 51.7° |
| C6 | C7 | C8 | H28 | 119.8° | 119.4° |
| C6 | C7 | C8 | H29 | 119.8° | 118.3° |
| C6 | C7 | C8 | C25 | 64.3° | 67.4° |
| C6 | C7 | C8 | C9 | 160.0° | 160.9° |
| C6 | C7 | C8 | H8 | 47.6° | 45.9° |
| C6 | C7 | H28 | H29 | 120.7° | 119.0° |
| C7 | C6 | O1 | H30 | 57.4° | 59.5° |
| C4 | C27 | C28 | C29 | 28.2° | 32.5° |
| C4 | C27 | C28 | C25 | 131.0° | 133.3° |
| C4 | C27 | C28 | H31 | 113.7° | 113.5° |
| C4 | C27 | C25 | H31 | 115.4° | 114.8° |
| C4 | C27 | C25 | C26 | 75.4° | 76.7° |
| C4 | C27 | C25 | C8 | 51.9° | 48.0° |
| C4 | C27 | C25 | C24 | 168.9° | 165.2° |
| C27 | C4 | C5 | H1 | 142.0° | 146.2° |
| C27 | C4 | C5 | H2 | 20.6° | 24.5° |
| C27 | C4 | C3 | H5 | 42.6° | 48.5° |
| C27 | C4 | C3 | H6 | 165.6° | 172.8° |
| C27 | C4 | C6 | H7 | 66.5° | 67.6° |
| C4 | C27 | C28 | H32 | 92.9° | 154.9° |
| C4 | C27 | C28 | H33 | 149.3° | 90.9° |
| C29 | C28 | C27 | H32 | 121.1° | 122.4° |
| C29 | C28 | C27 | H33 | 121.1° | 123.4° |
| C29 | C28 | C27 | C25 | 102.8° | 100.8° |
| C29 | C28 | C27 | H31 | 141.9° | 146.0° |
| C29 | C28 | H32 | H33 | 116.7° | 116.8° |
| C28 | C29 | H34 | H35 | 118.2° | 117.3° |
| C28 | C29 | C2 | H36 | 175.3° | 179.5° |
| N3 | C21 | C18 | C19 | 0.3° | 0.1° |
| N3 | C21 | C18 | N | 178.3° | 179.9° |
| N3 | C21 | C18 | N1 | 178.4° | 180.0° |
| N3 | C21 | N | C16 | 3.4° | 0.0° |
| N3 | C21 | N | C17 | 178.9° | 179.9° |
| C21 | N3 | C20 | H44 | 179.5° | 180.0° |
| C7 | C8 | C25 | C27 | 59.7° | 59.2° |
| C7 | C8 | C25 | C26 | 64.5° | 63.8° |
| C7 | C8 | C25 | C9 | 133.5° | 130.3° |
| C7 | C8 | C25 | H8 | 112.1° | 113.0° |
| C7 | C8 | C9 | H8 | 112.5° | 114.6° |
| C7 | C8 | C25 | C24 | 176.3° | 176.3° |
| C7 | C8 | C9 | C11 | 65.9° | 53.3° |
| C7 | C8 | C9 | C10 | 53.5° | 65.3° |
| C7 | C8 | C9 | C22 | 171.9° | 178.3° |
| C8 | C7 | C6 | H7 | 60.3° | 57.5° |
| C8 | C7 | H28 | H29 | 120.7° | 123.0° |
| N4 | C19 | C18 | C21 | 179.1° | 180.0° |
| N4 | C19 | C18 | N1 | 1.7° | 0.1° |
| C19 | N4 | H3 | H4 | 120.0° | 179.9° |
| C19 | C18 | C21 | N1 | 178.1° | 179.9° |
| C19 | C18 | C21 | N | 178.0° | 180.0° |
| C19 | C18 | N1 | C17 | 178.4° | 180.0° |
| C18 | C19 | N4 | H3 | 179.8° | 180.0° |
| C18 | C19 | N4 | H4 | 60.2° | 0.2° |
| C28 | C27 | C25 | H31 | 115.4° | 113.4° |
| C28 | C27 | C25 | C26 | 53.9° | 55.1° |
| C28 | C27 | C25 | C8 | 178.9° | 179.8° |
| C28 | C27 | C25 | C24 | 61.8° | 63.0° |
| C27 | C28 | H32 | H33 | 116.6° | 116.2° |
| C27 | C28 | C29 | H34 | 150.3° | 84.7° |
| C27 | C28 | C29 | H35 | 90.9° | 160.7° |
| C27 | C25 | C26 | C8 | 121.9° | 122.1° |
| C27 | C25 | C26 | C24 | 117.2° | 118.0° |
| C27 | C25 | C8 | C24 | 116.6° | 117.1° |
| C27 | C25 | C8 | C9 | 166.8° | 170.5° |
| C27 | C25 | C24 | C23 | 162.4° | 176.1° |
| C27 | C25 | C8 | H8 | 52.4° | 53.8° |
| C27 | C25 | C24 | H23 | 41.9° | 63.7° |
| C27 | C25 | C24 | H24 | 77.1° | 56.2° |
| C27 | C25 | C26 | H25 | 180.0° | 170.7° |
| C27 | C25 | C26 | H26 | 60.0° | 50.6° |
| C27 | C25 | C26 | H27 | 60.0° | 69.4° |
| C25 | C27 | C28 | H32 | 136.2° | 21.6° |
| C25 | C27 | C28 | H33 | 18.3° | 135.8° |
| O9 | C11 | C9 | C8 | 35.9° | 0.0° |
| O9 | C11 | C9 | O2 | 177.5° | 180.0° |
| O9 | C11 | C9 | C10 | 86.2° | 119.4° |
| O9 | C11 | C9 | C22 | 157.1° | 125.6° |
| O9 | C11 | O2 | P | 35.5° | 0.0° |
| C26 | C25 | C8 | C24 | 119.2° | 119.9° |
| C26 | C25 | C8 | C9 | 69.0° | 66.4° |
| C26 | C25 | C24 | C23 | 78.5° | 64.3° |
| C26 | C25 | C8 | H8 | 176.6° | 176.9° |
| C26 | C25 | C24 | H23 | 161.0° | 55.9° |
| C26 | C25 | C24 | H24 | 42.0° | 175.7° |
| C25 | C26 | H25 | H26 | 120.0° | 120.1° |
| C25 | C26 | H25 | H27 | 120.0° | 120.0° |
| C25 | C26 | H26 | H27 | 120.0° | 120.0° |
| C26 | C25 | C27 | H31 | 169.3° | 168.5° |
| C18 | C21 | N | C16 | 178.7° | 180.0° |
| C18 | C21 | N | C17 | 0.9° | 0.0° |
| C21 | C18 | N1 | C17 | 0.8° | 0.1° |
| N | C21 | C18 | N1 | 0.1° | 0.1° |
| C21 | N | C16 | O4 | 87.2° | 161.0° |
| C21 | N | C16 | C17 | 177.3° | 180.0° |
| C21 | N | C16 | C15 | 155.3° | 85.0° |
| C21 | N | C17 | N1 | 1.5° | 0.0° |
| C21 | N | C17 | H14 | 178.5° | 180.0° |
| C21 | N | C16 | H15 | 33.6° | 37.9° |
| C25 | C8 | C9 | H8 | 114.3° | 116.5° |
| C25 | C8 | C9 | C11 | 67.3° | 75.5° |
| C25 | C8 | C9 | C10 | 173.3° | 165.9° |
| C25 | C8 | C9 | C22 | 54.9° | 49.4° |
| C8 | C25 | C24 | C23 | 46.9° | 58.7° |
| C8 | C25 | C24 | H23 | 73.6° | 178.9° |
| C8 | C25 | C24 | H24 | 167.4° | 61.3° |
| C8 | C25 | C26 | H25 | 58.2° | 67.3° |
| C8 | C25 | C26 | H26 | 178.1° | 172.7° |
| C8 | C25 | C26 | H27 | 61.9° | 52.7° |
| C25 | C8 | C7 | H28 | 55.5° | 52.0° |
| C25 | C8 | C7 | H29 | 175.9° | 174.2° |
| C8 | C25 | C27 | H31 | 63.5° | 66.8° |
| C9 | C8 | C25 | C24 | 50.2° | 53.5° |
| C8 | C9 | C11 | C10 | 122.1° | 119.4° |
| C8 | C9 | C11 | C22 | 121.2° | 125.5° |
| C8 | C9 | C11 | O2 | 146.6° | 180.0° |
| C8 | C9 | C10 | C22 | 118.0° | 119.7° |
| C8 | C9 | C22 | C23 | 55.9° | 50.0° |
| C8 | C9 | C10 | H9 | 180.0° | 60.1° |
| C8 | C9 | C10 | H10 | 60.0° | 180.0° |
| C8 | C9 | C10 | H11 | 60.0° | 59.9° |
| C8 | C9 | C22 | H19 | 176.1° | 170.9° |
| C8 | C9 | C22 | H20 | 64.3° | 70.8° |
| C9 | C8 | C7 | H28 | 80.2° | 79.7° |
| C9 | C8 | C7 | H29 | 40.2° | 42.5° |
| C25 | C24 | C23 | H23 | 120.5° | 120.0° |
| C25 | C24 | C23 | H24 | 120.5° | 119.5° |
| C25 | C24 | C23 | C22 | 53.9° | 62.7° |
| C24 | C25 | C8 | H8 | 64.2° | 63.2° |
| C25 | C24 | C23 | H21 | 174.5° | 60.5° |
| C25 | C24 | C23 | H22 | 66.7° | 178.8° |
| C25 | C24 | H23 | H24 | 118.5° | 119.3° |
| C24 | C25 | C26 | H25 | 62.7° | 52.6° |
| C24 | C25 | C26 | H26 | 57.2° | 67.4° |
| C24 | C25 | C26 | H27 | 177.2° | 172.6° |
| C24 | C25 | C27 | H31 | 53.6° | 50.4° |
| C18 | N1 | C17 | N | 1.4° | 0.1° |
| C18 | N1 | C17 | H14 | 178.5° | 180.0° |
| O7 | P | O2 | C11 | 62.9° | 55.0° |
| O7 | P | O3 | O2 | 122.0° | 120.0° |
| O7 | P | O3 | O8 | 120.4° | 120.0° |
| O7 | P | O3 | C12 | 171.4° | 55.0° |
| O7 | P | O2 | O8 | 126.7° | 120.1° |
| O7 | P | O8 | H41 | 0.0° | 180.0° |
| O4 | C16 | N | C15 | 117.5° | 114.0° |
| O4 | C16 | N | H15 | 120.9° | 123.1° |
| O4 | C16 | C15 | H15 | 119.8° | 118.7° |
| O4 | C16 | N | C17 | 90.1° | 19.0° |
| C16 | O4 | C13 | C12 | 142.6° | 146.0° |
| C16 | O4 | C13 | C14 | 26.2° | 26.6° |
| O4 | C16 | C15 | O5 | 103.2° | 155.2° |
| O4 | C16 | C15 | C14 | 16.5° | 37.0° |
| O4 | C16 | C15 | H16 | 133.4° | 81.2° |
| C16 | O4 | C13 | H18 | 94.3° | 92.9° |
| C13 | O4 | C16 | N | 126.6° | 158.6° |
| C13 | O4 | C16 | C15 | 5.9° | 40.1° |
| O4 | C13 | C12 | O3 | 69.2° | 67.2° |
| O4 | C13 | C12 | C14 | 115.4° | 117.8° |
| O4 | C13 | C12 | H18 | 123.8° | 121.3° |
| O4 | C13 | C14 | H18 | 121.4° | 119.6° |
| O4 | C13 | C14 | C15 | 35.5° | 2.1° |
| O4 | C13 | C14 | O6 | 159.8° | 120.7° |
| O4 | C13 | C12 | H12 | 50.8° | 172.8° |
| O4 | C13 | C12 | H13 | 170.8° | 52.7° |
| C13 | O4 | C16 | H15 | 113.0° | 78.5° |
| O4 | C13 | C14 | H17 | 79.3° | 116.7° |
| C11 | C9 | C10 | C22 | 117.5° | 117.8° |
| C9 | C11 | O2 | P | 142.0° | 180.0° |
| C11 | C9 | C22 | C23 | 69.3° | 76.7° |
| C11 | C9 | C8 | H8 | 178.4° | 167.9° |
| C11 | C9 | C10 | H9 | 55.4° | 177.4° |
| C11 | C9 | C10 | H10 | 64.6° | 57.5° |
| C11 | C9 | C10 | H11 | 175.4° | 62.7° |
| C11 | C9 | C22 | H19 | 50.9° | 44.2° |
| C11 | C9 | C22 | H20 | 170.5° | 162.5° |
| O2 | C11 | C9 | C10 | 91.3° | 60.6° |
| O2 | C11 | C9 | C22 | 25.4° | 54.4° |
| C11 | O2 | P | O3 | 55.0° | 175.0° |
| C11 | O2 | P | O8 | 170.4° | 65.0° |
| N | C16 | C15 | H15 | 122.1° | 122.8° |
| C16 | N | C17 | N1 | 179.2° | 180.0° |
| N | C16 | C15 | O5 | 138.7° | 86.3° |
| N | C16 | C15 | C14 | 101.5° | 155.5° |
| C16 | N | C17 | H14 | 0.7° | 0.1° |
| N | C16 | C15 | H16 | 15.4° | 37.4° |
| C15 | C16 | N | C17 | 27.4° | 95.0° |
| C16 | C15 | C14 | C13 | 30.7° | 20.9° |
| C16 | C15 | O5 | C14 | 115.8° | 112.7° |
| C16 | C15 | O5 | H16 | 122.6° | 123.7° |
| C16 | C15 | C14 | H16 | 116.6° | 118.2° |
| C16 | C15 | C14 | O6 | 151.4° | 97.8° |
| C16 | C15 | C14 | H17 | 84.0° | 139.7° |
| C16 | C15 | O5 | H42 | 180.0° | 180.0° |
| N | C17 | N1 | H14 | 180.0° | 179.9° |
| C17 | N | C16 | H15 | 149.0° | 142.2° |
| C10 | C9 | C22 | C23 | 175.7° | 167.8° |
| C10 | C9 | C8 | H8 | 59.0° | 49.3° |
| C9 | C10 | H9 | H10 | 120.0° | 120.0° |
| C9 | C10 | H9 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H11 | 120.0° | 120.1° |
| C10 | C9 | C22 | H19 | 64.1° | 71.4° |
| C10 | C9 | C22 | H20 | 55.5° | 46.9° |
| C9 | C22 | C23 | C24 | 58.6° | 57.9° |
| C9 | C22 | C23 | H19 | 120.2° | 120.6° |
| C9 | C22 | C23 | H20 | 120.2° | 120.6° |
| C22 | C9 | C8 | H8 | 59.4° | 67.1° |
| C22 | C9 | C10 | H9 | 62.0° | 59.6° |
| C22 | C9 | C10 | H10 | 178.0° | 60.3° |
| C22 | C9 | C10 | H11 | 58.0° | 179.6° |
| C9 | C22 | H19 | H20 | 119.4° | 118.5° |
| C9 | C22 | C23 | H21 | 179.2° | 65.7° |
| C9 | C22 | C23 | H22 | 62.0° | 176.3° |
| O3 | P | O2 | O8 | 115.4° | 120.0° |
| P | O3 | C12 | C13 | 178.8° | 180.0° |
| P | O3 | C12 | H12 | 58.8° | 60.0° |
| P | O3 | C12 | H13 | 61.1° | 60.1° |
| O3 | P | O8 | H41 | 118.2° | 60.0° |
| C12 | O3 | P | O2 | 66.6° | 175.0° |
| C12 | O3 | P | O8 | 51.0° | 65.0° |
| O3 | C12 | C13 | H12 | 120.0° | 120.0° |
| O3 | C12 | C13 | H13 | 120.0° | 119.9° |
| O3 | C12 | C13 | C14 | 175.4° | 175.0° |
| O3 | C12 | H12 | H13 | 119.9° | 120.1° |
| O3 | C12 | C13 | H18 | 54.6° | 54.1° |
| C24 | C23 | C22 | H21 | 120.6° | 123.5° |
| C24 | C23 | C22 | H22 | 120.6° | 118.4° |
| C24 | C23 | C22 | H19 | 178.8° | 178.4° |
| C24 | C23 | C22 | H20 | 61.7° | 62.7° |
| C24 | C23 | H21 | H22 | 118.1° | 118.6° |
| C23 | C24 | H23 | H24 | 118.5° | 120.5° |
| O2 | P | O8 | H41 | 128.3° | 60.0° |
| C12 | C13 | C14 | H18 | 120.9° | 120.9° |
| C12 | C13 | C14 | C15 | 153.2° | 121.5° |
| C12 | C13 | C14 | O6 | 82.4° | 119.8° |
| C13 | C12 | H12 | H13 | 119.9° | 120.0° |
| C12 | C13 | C14 | H17 | 38.5° | 2.7° |
| C13 | C14 | C15 | O5 | 90.5° | 139.1° |
| C13 | C14 | C15 | O6 | 120.7° | 118.7° |
| C13 | C14 | C15 | H17 | 114.7° | 118.8° |
| C13 | C14 | O6 | H17 | 120.3° | 122.6° |
| C14 | C13 | C12 | H12 | 64.6° | 55.0° |
| C14 | C13 | C12 | H13 | 55.4° | 65.1° |
| C13 | C14 | C15 | H16 | 147.3° | 97.3° |
| C13 | C14 | O6 | H43 | 180.0° | 176.2° |
| O5 | C15 | C14 | H16 | 122.2° | 123.6° |
| O5 | C15 | C14 | O6 | 30.2° | 20.4° |
| O5 | C15 | C16 | H15 | 16.6° | 36.5° |
| O5 | C15 | C14 | H17 | 154.9° | 102.1° |
| C15 | C14 | O6 | H17 | 124.2° | 122.6° |
| C14 | C15 | C16 | H15 | 136.4° | 81.7° |
| C15 | C14 | C13 | H18 | 85.9° | 117.6° |
| C14 | C15 | O5 | H42 | 64.2° | 67.3° |
| C15 | C14 | O6 | H43 | 64.5° | 61.4° |
| C23 | C22 | H19 | H20 | 119.4° | 119.4° |
| C22 | C23 | H21 | H22 | 118.2° | 118.6° |
| C22 | C23 | C24 | H23 | 66.6° | 177.3° |
| C22 | C23 | C24 | H24 | 174.4° | 56.8° |
| O6 | C14 | C15 | H16 | 92.0° | 144.0° |
| O6 | C14 | C13 | H18 | 38.5° | 1.1° |
| H5 | C3 | C2 | H36 | 77.5° | 72.5° |
| H6 | C3 | C2 | H36 | 45.5° | 49.0° |
| H7 | C6 | C7 | H28 | 180.0° | 178.0° |
| H7 | C6 | C7 | H29 | 59.5° | 62.4° |
| H7 | C6 | O1 | H30 | 61.0° | 60.0° |
| H8 | C8 | C7 | H28 | 167.4° | 165.3° |
| H8 | C8 | C7 | H29 | 72.1° | 72.5° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H12 | C12 | C13 | H18 | 174.6° | 65.9° |
| H13 | C12 | C13 | H18 | 65.4° | 174.0° |
| H15 | C16 | C15 | H16 | 106.7° | 160.2° |
| H16 | C15 | C14 | H17 | 32.7° | 21.5° |
| H16 | C15 | O5 | H42 | 57.4° | 56.3° |
| H17 | C14 | C13 | H18 | 159.4° | 123.6° |
| H17 | C14 | O6 | H43 | 59.7° | 61.2° |
| H19 | C22 | C23 | H21 | 60.6° | 54.9° |
| H19 | C22 | C23 | H22 | 58.2° | 63.2° |
| H20 | C22 | C23 | H21 | 59.0° | 173.8° |
| H20 | C22 | C23 | H22 | 177.8° | 55.7° |
| H21 | C23 | C24 | H23 | 54.0° | 59.4° |
| H21 | C23 | C24 | H24 | 65.0° | 180.0° |
| H22 | C23 | C24 | H23 | 172.8° | 58.8° |
| H22 | C23 | C24 | H24 | 53.8° | 61.7° |
| H25 | C26 | H26 | H27 | 120.0° | 119.9° |
| H31 | C27 | C28 | H32 | 20.8° | 91.6° |
| H31 | C27 | C28 | H33 | 97.0° | 22.7° |
| H32 | C28 | C29 | H34 | 29.3° | 38.0° |
| H32 | C28 | C29 | H35 | 148.1° | 76.6° |
| H33 | C28 | C29 | H34 | 88.6° | 152.4° |
| H33 | C28 | C29 | H35 | 30.2° | 37.8° |
| H34 | C29 | C2 | H36 | 64.1° | 58.2° |
| H35 | C29 | C2 | H36 | 54.7° | 56.6° |
| H38 | C | H39 | H40 | 120.0° | 119.9° |
