6KB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | AP2 | doub | 1.48Å | 1.52Å | |
| OP1 | AP2 | sing | 1.61Å | 1.51Å | |
| AP2 | OP2 | sing | 1.61Å | 1.50Å | |
| AP2 | O4 | sing | 1.61Å | 1.60Å | |
| O4 | C8 | sing | 1.43Å | 1.42Å | |
| O15 | C12 | sing | 1.43Å | 1.43Å | |
| O16 | C13 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | C6 | sing | 1.55Å | 1.51Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C9 | O7 | sing | 1.43Å | 1.44Å | |
| C9 | C7 | sing | 1.54Å | 1.51Å | |
| C12 | C20 | sing | 1.54Å | 1.53Å | |
| O11 | NP | doub | 1.48Å | 1.51Å | |
| O18 | C18 | doub | 1.21Å | 1.27Å | |
| C6 | N5 | sing | 1.46Å | 1.48Å | |
| C6 | O6 | sing | 1.44Å | 1.44Å | |
| C4 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | N4 | doub | 1.30Å | 1.34Å | Aromatic |
| C14 | O17 | sing | 1.43Å | 1.43Å | |
| C14 | O14 | sing | 1.44Å | 1.44Å | |
| N5 | C3 | sing | 1.37Å | 1.34Å | Aromatic |
| C20 | O14 | sing | 1.44Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C7 | C10 | sing | 1.53Å | 1.52Å | |
| C7 | O6 | sing | 1.44Å | 1.44Å | |
| C10 | O8 | sing | 1.43Å | 1.43Å | |
| N4 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| O17 | C15 | sing | 1.43Å | 1.43Å | |
| NP | O12 | sing | 1.61Å | 1.50Å | |
| NP | O13 | sing | 1.61Å | 1.60Å | |
| NP | O3 | sing | 1.61Å | 1.60Å | |
| C3 | C2 | doub | 1.41Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C19 | O13 | sing | 1.43Å | 1.42Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | O19 | sing | 1.34Å | 1.25Å | |
| C2 | C1 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| O3 | AP | sing | 1.61Å | 1.62Å | |
| N3 | C5 | doub | 1.32Å | 1.33Å | Aromatic |
| O10 | AP | doub | 1.48Å | 1.50Å | |
| O8 | AP | sing | 1.61Å | 1.61Å | |
| C1 | N1 | sing | 1.38Å | 1.35Å | |
| C1 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| AP | O9 | sing | 1.61Å | 1.50Å | |
| C5 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| O19 | H1 | sing | 0.97Å | 0.95Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| O16 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| O9 | H17 | sing | 0.97Å | 0.95Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| OP2 | H25 | sing | 0.97Å | 0.95Å | |
| OP1 | H26 | sing | 0.97Å | 0.95Å | |
| C5 | H27 | sing | 1.08Å | 1.08Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| N1 | H29 | sing | 0.97Å | 1.00Å | |
| C4 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP3 | AP2 | OP1 | 112.2° | 109.5° |
| OP3 | AP2 | OP2 | 113.3° | 109.5° |
| OP3 | AP2 | O4 | 99.8° | 109.5° |
| OP1 | AP2 | OP2 | 115.0° | 109.5° |
| OP1 | AP2 | O4 | 108.3° | 109.5° |
| AP2 | OP1 | H26 | 109.5° | 114.0° |
| OP2 | AP2 | O4 | 106.7° | 109.5° |
| AP2 | OP2 | H25 | 109.5° | 114.0° |
| AP2 | O4 | C8 | 121.9° | 123.0° |
| O4 | C8 | C9 | 110.9° | 110.9° |
| O4 | C8 | C6 | 111.5° | 111.0° |
| O4 | C8 | H24 | 111.6° | 110.8° |
| O15 | C12 | C13 | 114.9° | 110.5° |
| O15 | C12 | C20 | 115.2° | 110.5° |
| O15 | C12 | H11 | 110.0° | 110.6° |
| C12 | O15 | H12 | 109.5° | 114.0° |
| O16 | C13 | C12 | 110.0° | 110.5° |
| O16 | C13 | C14 | 114.8° | 110.5° |
| O16 | C13 | H9 | 110.9° | 110.6° |
| C13 | O16 | H10 | 109.5° | 114.0° |
| C9 | C8 | C6 | 102.2° | 102.1° |
| C8 | C9 | O7 | 111.1° | 110.5° |
| C8 | C9 | C7 | 103.5° | 104.2° |
| C8 | C9 | H21 | 111.2° | 110.6° |
| C9 | C8 | H24 | 110.1° | 110.9° |
| C8 | C6 | N5 | 117.5° | 110.6° |
| C8 | C6 | O6 | 104.4° | 103.5° |
| C8 | C6 | H23 | 109.1° | 110.7° |
| C6 | C8 | H24 | 110.1° | 110.9° |
| C12 | C13 | C14 | 101.4° | 104.0° |
| C13 | C12 | C20 | 98.5° | 104.1° |
| C12 | C13 | H9 | 109.7° | 110.5° |
| C13 | C12 | H11 | 108.8° | 110.5° |
| C13 | C14 | O17 | 107.8° | 110.4° |
| C13 | C14 | O14 | 104.4° | 104.8° |
| C13 | C14 | H8 | 110.8° | 110.5° |
| C14 | C13 | H9 | 109.6° | 110.5° |
| O7 | C9 | C7 | 107.0° | 110.5° |
| O7 | C9 | H21 | 112.4° | 110.4° |
| C9 | O7 | H22 | 109.5° | 114.0° |
| C9 | C7 | C10 | 113.0° | 109.9° |
| C9 | C7 | O6 | 105.3° | 107.3° |
| C9 | C7 | H20 | 109.4° | 110.0° |
| C7 | C9 | H21 | 111.2° | 110.5° |
| C12 | C20 | O14 | 103.8° | 104.8° |
| C12 | C20 | C19 | 115.9° | 110.4° |
| C20 | C12 | H11 | 108.7° | 110.5° |
| C12 | C20 | H13 | 107.8° | 110.4° |
| O11 | NP | O12 | 119.3° | 109.5° |
| O11 | NP | O13 | 110.8° | 109.4° |
| O11 | NP | O3 | 109.1° | 109.5° |
| O18 | C18 | C17 | 119.8° | 120.0° |
| O18 | C18 | O19 | 123.9° | 120.0° |
| N5 | C6 | O6 | 105.7° | 110.7° |
| C6 | N5 | C4 | 126.6° | 126.3° |
| C6 | N5 | C3 | 124.4° | 126.3° |
| N5 | C6 | H23 | 109.6° | 110.5° |
| C6 | O6 | C7 | 111.1° | 107.0° |
| O6 | C6 | H23 | 110.2° | 110.6° |
| N5 | C4 | N4 | 109.3° | 110.0° |
| C4 | N5 | C3 | 108.6° | 107.4° |
| N5 | C4 | H30 | 125.3° | 125.0° |
| C4 | N4 | C2 | 107.2° | 109.4° |
| N4 | C4 | H30 | 125.4° | 125.0° |
| O17 | C14 | O14 | 108.9° | 110.4° |
| C14 | O17 | C15 | 130.8° | 114.0° |
| O17 | C14 | H8 | 112.4° | 110.3° |
| C14 | O14 | C20 | 109.6° | 105.3° |
| O14 | C14 | H8 | 112.2° | 110.4° |
| N5 | C3 | C2 | 106.9° | 106.0° |
| N5 | C3 | N3 | 132.7° | 134.9° |
| O14 | C20 | C19 | 112.1° | 110.4° |
| O14 | C20 | H13 | 109.0° | 110.3° |
| C20 | C19 | O13 | 111.0° | 109.5° |
| C19 | C20 | H13 | 107.9° | 110.4° |
| C20 | C19 | H14 | 109.1° | 109.4° |
| C20 | C19 | H15 | 109.1° | 109.4° |
| C10 | C7 | O6 | 109.3° | 109.9° |
| C7 | C10 | O8 | 106.9° | 109.5° |
| C7 | C10 | H18 | 110.1° | 109.5° |
| C7 | C10 | H19 | 110.1° | 109.5° |
| C10 | C7 | H20 | 109.3° | 109.8° |
| O6 | C7 | H20 | 110.5° | 109.9° |
| C10 | O8 | AP | 120.4° | 123.0° |
| O8 | C10 | H18 | 110.1° | 109.4° |
| O8 | C10 | H19 | 110.1° | 109.5° |
| N4 | C2 | C3 | 107.9° | 107.1° |
| N4 | C2 | C1 | 133.4° | 134.7° |
| O17 | C15 | C16 | 121.4° | 109.5° |
| O17 | C15 | H6 | 106.4° | 109.4° |
| O17 | C15 | H7 | 106.4° | 109.5° |
| O12 | NP | O13 | 105.3° | 109.5° |
| O12 | NP | O3 | 104.8° | 109.5° |
| NP | O12 | H16 | 109.5° | 114.0° |
| O13 | NP | O3 | 106.8° | 109.5° |
| NP | O13 | C19 | 122.7° | 123.0° |
| NP | O3 | AP | 138.9° | 134.0° |
| C2 | C3 | N3 | 120.4° | 119.1° |
| C3 | C2 | C1 | 118.6° | 118.2° |
| C3 | N3 | C5 | 119.3° | 120.6° |
| O13 | C19 | H14 | 109.1° | 109.5° |
| O13 | C19 | H15 | 109.1° | 109.5° |
| C17 | C18 | O19 | 116.3° | 120.0° |
| C18 | C17 | C16 | 106.4° | 109.5° |
| C18 | C17 | H2 | 110.3° | 109.4° |
| C18 | C17 | H3 | 110.2° | 109.4° |
| C18 | O19 | H1 | 109.5° | 117.0° |
| C2 | C1 | N1 | 122.1° | 120.8° |
| C2 | C1 | N2 | 118.9° | 118.4° |
| C15 | C16 | C17 | 107.8° | 109.5° |
| C15 | C16 | H4 | 109.9° | 109.5° |
| C15 | C16 | H5 | 109.9° | 109.5° |
| C16 | C15 | H6 | 106.4° | 109.5° |
| C16 | C15 | H7 | 106.4° | 109.5° |
| C16 | C17 | H2 | 110.2° | 109.5° |
| C16 | C17 | H3 | 110.2° | 109.5° |
| C17 | C16 | H4 | 109.9° | 109.5° |
| C17 | C16 | H5 | 109.9° | 109.4° |
| O3 | AP | O10 | 111.5° | 109.5° |
| O3 | AP | O8 | 97.6° | 109.5° |
| O3 | AP | O9 | 108.6° | 109.5° |
| N3 | C5 | N2 | 121.4° | 122.5° |
| N3 | C5 | H27 | 119.3° | 118.7° |
| O10 | AP | O8 | 110.8° | 109.5° |
| O10 | AP | O9 | 119.7° | 109.4° |
| O8 | AP | O9 | 106.3° | 109.5° |
| N1 | C1 | N2 | 119.1° | 120.8° |
| C1 | N1 | H28 | 109.5° | 120.0° |
| C1 | N1 | H29 | 109.5° | 120.0° |
| C1 | N2 | C5 | 121.4° | 121.2° |
| AP | O9 | H17 | 109.5° | 114.0° |
| N2 | C5 | H27 | 119.3° | 118.8° |
| H2 | C17 | H3 | 109.4° | 109.5° |
| H4 | C16 | H5 | 109.4° | 109.4° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H28 | N1 | H29 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | AP2 | OP1 | OP2 | 131.6° | 120.0° |
| OP3 | AP2 | OP1 | O4 | 109.2° | 120.0° |
| OP3 | AP2 | OP2 | O4 | 108.8° | 120.0° |
| OP3 | AP2 | O4 | C8 | 164.9° | 55.0° |
| OP3 | AP2 | OP2 | H25 | 0.0° | 180.0° |
| OP3 | AP2 | OP1 | H26 | 0.0° | 60.0° |
| OP1 | AP2 | OP2 | O4 | 120.1° | 120.0° |
| OP1 | AP2 | O4 | C8 | 47.4° | 175.0° |
| OP1 | AP2 | OP2 | H25 | 131.1° | 60.0° |
| OP2 | AP2 | O4 | C8 | 76.9° | 65.0° |
| OP2 | AP2 | OP1 | H26 | 131.6° | 60.0° |
| AP2 | O4 | C8 | C9 | 122.1° | 121.4° |
| AP2 | O4 | C8 | C6 | 124.7° | 125.8° |
| AP2 | O4 | C8 | H24 | 1.1° | 2.2° |
| O4 | AP2 | OP2 | H25 | 108.8° | 60.0° |
| O4 | AP2 | OP1 | H26 | 109.2° | 180.0° |
| O4 | C8 | C9 | C6 | 119.0° | 118.3° |
| O4 | C8 | C9 | H24 | 124.0° | 123.6° |
| O4 | C8 | C6 | H24 | 124.5° | 123.6° |
| O4 | C8 | C9 | O7 | 40.4° | 20.5° |
| O4 | C8 | C9 | C7 | 154.9° | 139.1° |
| O4 | C8 | C6 | N5 | 91.4° | 86.2° |
| O4 | C8 | C6 | O6 | 151.9° | 155.2° |
| O4 | C8 | C9 | H21 | 85.6° | 102.2° |
| O4 | C8 | C6 | H23 | 34.2° | 36.7° |
| O15 | C12 | C13 | O16 | 45.9° | 0.0° |
| O15 | C12 | C13 | C20 | 123.0° | 118.7° |
| O15 | C12 | C13 | H11 | 123.8° | 122.7° |
| O15 | C12 | C13 | C14 | 167.8° | 118.6° |
| O15 | C12 | C20 | H11 | 124.0° | 122.7° |
| O15 | C12 | C20 | O14 | 165.4° | 142.6° |
| O15 | C12 | C20 | C19 | 71.2° | 98.5° |
| O15 | C12 | C13 | H9 | 76.4° | 122.7° |
| O15 | C12 | C20 | H13 | 49.8° | 23.8° |
| O16 | C13 | C12 | C14 | 121.9° | 118.6° |
| O16 | C13 | C12 | H9 | 122.3° | 122.7° |
| O16 | C13 | C14 | H9 | 125.5° | 122.7° |
| O16 | C13 | C12 | C20 | 77.1° | 118.6° |
| O16 | C13 | C14 | O17 | 157.8° | 98.5° |
| O16 | C13 | C14 | O14 | 86.4° | 142.6° |
| O16 | C13 | C14 | H8 | 34.5° | 23.8° |
| O16 | C13 | C12 | H11 | 169.7° | 122.7° |
| C9 | C8 | C6 | H24 | 117.0° | 118.2° |
| C8 | C9 | O7 | C7 | 112.3° | 114.7° |
| C8 | C9 | O7 | H21 | 125.3° | 122.7° |
| C8 | C9 | C7 | H21 | 119.5° | 118.8° |
| C9 | C8 | C6 | N5 | 150.0° | 155.6° |
| C9 | C8 | C6 | O6 | 33.4° | 37.0° |
| C8 | C9 | C7 | C10 | 93.8° | 121.5° |
| C8 | C9 | C7 | O6 | 25.5° | 2.0° |
| C8 | C9 | C7 | H20 | 144.2° | 117.5° |
| C8 | C9 | O7 | H22 | 180.0° | 176.2° |
| C9 | C8 | C6 | H23 | 84.4° | 81.6° |
| C6 | C8 | C9 | O7 | 78.6° | 97.8° |
| C6 | C8 | C9 | C7 | 35.9° | 20.9° |
| C8 | C6 | N5 | O6 | 115.9° | 114.1° |
| C8 | C6 | N5 | H23 | 125.3° | 123.0° |
| C8 | C6 | O6 | H23 | 117.1° | 118.6° |
| C8 | C6 | N5 | C4 | 37.7° | 90.9° |
| C8 | C6 | N5 | C3 | 149.9° | 89.4° |
| C8 | C6 | O6 | C7 | 18.5° | 40.0° |
| C6 | C8 | C9 | H21 | 155.4° | 139.6° |
| C12 | C13 | C14 | H9 | 115.9° | 118.7° |
| C13 | C12 | C20 | H11 | 113.2° | 118.6° |
| C12 | C13 | C14 | O17 | 83.6° | 142.8° |
| C12 | C13 | C14 | O14 | 32.2° | 24.0° |
| C13 | C12 | C20 | O14 | 42.6° | 24.0° |
| C13 | C12 | C20 | C19 | 166.0° | 142.8° |
| C12 | C13 | C14 | H8 | 153.1° | 94.9° |
| C12 | C13 | O16 | H10 | 180.0° | 180.0° |
| C13 | C12 | O15 | H12 | 161.0° | 61.5° |
| C13 | C12 | C20 | H13 | 73.0° | 94.8° |
| C14 | C13 | C12 | C20 | 44.8° | 0.0° |
| C13 | C14 | O17 | O14 | 112.7° | 115.4° |
| C13 | C14 | O17 | H8 | 122.3° | 122.4° |
| C13 | C14 | O14 | H8 | 120.0° | 119.0° |
| C13 | C14 | O14 | C20 | 5.2° | 40.5° |
| C13 | C14 | O17 | C15 | 133.4° | 178.2° |
| C14 | C13 | O16 | H10 | 66.4° | 65.4° |
| C14 | C13 | C12 | H11 | 68.4° | 118.6° |
| O7 | C9 | C7 | H21 | 123.1° | 122.5° |
| O7 | C9 | C7 | C10 | 148.8° | 119.9° |
| O7 | C9 | C7 | O6 | 92.0° | 120.7° |
| O7 | C9 | C7 | H20 | 26.8° | 1.2° |
| O7 | C9 | C8 | H24 | 164.4° | 144.1° |
| C9 | C7 | O6 | C6 | 4.5° | 26.5° |
| C9 | C7 | C10 | O6 | 116.9° | 117.9° |
| C9 | C7 | C10 | H20 | 122.1° | 121.2° |
| C9 | C7 | O6 | H20 | 118.0° | 119.6° |
| C9 | C7 | C10 | O8 | 178.1° | 175.7° |
| C9 | C7 | C10 | H18 | 58.5° | 64.3° |
| C9 | C7 | C10 | H19 | 62.3° | 55.7° |
| C7 | C9 | O7 | H22 | 67.7° | 61.5° |
| C7 | C9 | C8 | H24 | 81.1° | 97.3° |
| C12 | C20 | O14 | C14 | 23.9° | 40.5° |
| C12 | C20 | O14 | C19 | 125.9° | 118.9° |
| C12 | C20 | O14 | H13 | 114.7° | 118.8° |
| C12 | C20 | C19 | H13 | 121.0° | 122.3° |
| C12 | C20 | C19 | O13 | 54.4° | 175.0° |
| C20 | C12 | C13 | H9 | 160.6° | 118.6° |
| C20 | C12 | O15 | H12 | 85.4° | 176.1° |
| C12 | C20 | C19 | H14 | 174.7° | 55.0° |
| C12 | C20 | C19 | H15 | 65.8° | 65.0° |
| O11 | NP | O12 | O13 | 125.2° | 120.0° |
| O11 | NP | O12 | O3 | 122.4° | 120.0° |
| O11 | NP | O13 | O3 | 118.7° | 120.0° |
| O11 | NP | O13 | C19 | 30.7° | 55.0° |
| O11 | NP | O3 | AP | 89.8° | 45.0° |
| O11 | NP | O12 | H16 | 0.0° | 180.0° |
| O18 | C18 | C17 | O19 | 179.9° | 179.7° |
| O18 | C18 | C17 | C16 | 53.5° | 0.0° |
| O18 | C18 | O19 | H1 | 0.0° | 0.1° |
| O18 | C18 | C17 | H2 | 173.1° | 120.0° |
| O18 | C18 | C17 | H3 | 66.0° | 120.0° |
| N5 | C6 | O6 | H23 | 118.4° | 122.9° |
| C6 | N5 | C4 | C3 | 173.3° | 179.8° |
| C6 | N5 | C4 | N4 | 175.5° | 179.8° |
| N5 | C6 | O6 | C7 | 143.0° | 158.6° |
| C6 | N5 | C3 | C2 | 175.6° | 180.0° |
| C6 | N5 | C3 | N3 | 5.4° | 0.0° |
| N5 | C6 | C8 | H24 | 33.0° | 37.4° |
| C6 | N5 | C4 | H30 | 4.5° | 0.0° |
| O6 | C6 | N5 | C4 | 78.2° | 23.3° |
| O6 | C6 | N5 | C3 | 94.1° | 156.5° |
| C6 | O6 | C7 | C10 | 117.2° | 145.9° |
| C6 | O6 | C7 | H20 | 122.5° | 93.1° |
| O6 | C6 | C8 | H24 | 83.6° | 81.2° |
| N5 | C4 | N4 | H30 | 180.0° | 179.9° |
| N5 | C4 | N4 | C2 | 1.4° | 0.4° |
| C4 | N5 | C3 | C2 | 2.1° | 0.2° |
| C4 | N5 | C3 | N3 | 178.9° | 179.8° |
| C4 | N5 | C6 | H23 | 163.0° | 146.2° |
| N4 | C4 | N5 | C3 | 2.2° | 0.4° |
| C4 | N4 | C2 | C3 | 0.1° | 0.2° |
| C4 | N4 | C2 | C1 | 179.8° | 179.8° |
| O17 | C14 | O14 | H8 | 125.1° | 122.2° |
| O17 | C14 | O14 | C20 | 109.7° | 159.4° |
| C14 | O17 | C15 | C16 | 8.0° | 180.0° |
| C14 | O17 | C15 | H6 | 113.7° | 60.0° |
| C14 | O17 | C15 | H7 | 129.7° | 60.0° |
| O17 | C14 | C13 | H9 | 32.3° | 24.2° |
| C14 | O14 | C20 | C19 | 149.8° | 159.4° |
| O14 | C14 | O17 | C15 | 113.8° | 66.4° |
| O14 | C14 | C13 | H9 | 148.1° | 94.7° |
| C14 | O14 | C20 | H13 | 90.9° | 78.3° |
| N5 | C3 | C2 | N4 | 1.2° | 0.0° |
| N5 | C3 | C2 | N3 | 179.2° | 180.0° |
| N5 | C3 | C2 | C1 | 178.9° | 180.0° |
| N5 | C3 | N3 | C5 | 178.3° | 180.0° |
| C3 | N5 | C6 | H23 | 24.6° | 33.6° |
| C3 | N5 | C4 | H30 | 177.8° | 179.7° |
| O14 | C20 | C19 | H13 | 120.0° | 122.3° |
| O14 | C20 | C19 | O13 | 64.6° | 69.6° |
| C20 | O14 | C14 | H8 | 125.2° | 78.5° |
| O14 | C20 | C12 | H11 | 70.7° | 94.7° |
| O14 | C20 | C19 | H14 | 55.7° | 170.4° |
| O14 | C20 | C19 | H15 | 175.2° | 50.4° |
| C20 | C19 | O13 | NP | 101.5° | 180.0° |
| C20 | C19 | O13 | H14 | 120.2° | 120.0° |
| C20 | C19 | O13 | H15 | 120.2° | 119.9° |
| C19 | C20 | C12 | H11 | 52.8° | 24.2° |
| C20 | C19 | H14 | H15 | 119.3° | 119.9° |
| C10 | C7 | O6 | H20 | 120.3° | 121.0° |
| C7 | C10 | O8 | H18 | 119.6° | 120.0° |
| C7 | C10 | O8 | H19 | 119.6° | 120.0° |
| C7 | C10 | O8 | AP | 171.9° | 180.0° |
| C7 | C10 | H18 | H19 | 121.2° | 120.0° |
| C10 | C7 | C9 | H21 | 25.7° | 2.7° |
| O6 | C7 | C10 | O8 | 65.0° | 66.4° |
| O6 | C7 | C10 | H18 | 175.4° | 53.6° |
| O6 | C7 | C10 | H19 | 54.6° | 173.6° |
| O6 | C7 | C9 | H21 | 144.9° | 116.8° |
| C7 | O6 | C6 | H23 | 98.6° | 78.6° |
| C10 | O8 | AP | O3 | 60.7° | 175.0° |
| C10 | O8 | AP | O10 | 55.8° | 54.9° |
| C10 | O8 | AP | O9 | 172.7° | 65.0° |
| O8 | C10 | H18 | H19 | 121.2° | 120.0° |
| O8 | C10 | C7 | H20 | 56.0° | 54.6° |
| N4 | C2 | C3 | C1 | 179.9° | 180.0° |
| N4 | C2 | C3 | N3 | 179.6° | 180.0° |
| N4 | C2 | C1 | N1 | 0.4° | 0.0° |
| N4 | C2 | C1 | N2 | 179.9° | 180.0° |
| C2 | N4 | C4 | H30 | 178.6° | 179.7° |
| O17 | C15 | C16 | H6 | 121.7° | 120.0° |
| O17 | C15 | C16 | H7 | 121.7° | 120.0° |
| O17 | C15 | C16 | C17 | 161.1° | 180.0° |
| O17 | C15 | C16 | H4 | 41.3° | 60.0° |
| O17 | C15 | C16 | H5 | 79.2° | 60.0° |
| O17 | C15 | H6 | H7 | 114.6° | 120.0° |
| C15 | O17 | C14 | H8 | 11.1° | 55.8° |
| O12 | NP | O13 | O3 | 111.0° | 120.0° |
| O12 | NP | O13 | C19 | 161.0° | 65.0° |
| O12 | NP | O3 | AP | 141.4° | 75.0° |
| O13 | NP | O3 | AP | 30.0° | 165.0° |
| NP | O13 | C19 | H14 | 138.3° | 60.1° |
| NP | O13 | C19 | H15 | 18.8° | 60.0° |
| O13 | NP | O12 | H16 | 125.2° | 60.0° |
| O3 | NP | O13 | C19 | 88.0° | 175.0° |
| NP | O3 | AP | O10 | 31.2° | 45.0° |
| NP | O3 | AP | O8 | 147.1° | 165.0° |
| NP | O3 | AP | O9 | 102.8° | 75.0° |
| O3 | NP | O12 | H16 | 122.3° | 60.0° |
| C2 | C3 | N3 | C5 | 0.7° | 0.1° |
| C3 | C2 | C1 | N1 | 179.8° | 180.0° |
| C3 | C2 | C1 | N2 | 0.3° | 0.0° |
| N3 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | N3 | C5 | N2 | 0.5° | 0.1° |
| C3 | N3 | C5 | H27 | 179.5° | 180.0° |
| O13 | C19 | C20 | H13 | 175.4° | 52.7° |
| O13 | C19 | H14 | H15 | 119.3° | 120.1° |
| C18 | C17 | C16 | C15 | 19.4° | 180.0° |
| C18 | C17 | C16 | H2 | 119.5° | 120.0° |
| C18 | C17 | C16 | H3 | 119.5° | 120.0° |
| C17 | C18 | O19 | H1 | 179.9° | 179.8° |
| C18 | C17 | H2 | H3 | 121.4° | 120.0° |
| C18 | C17 | C16 | H4 | 100.3° | 59.9° |
| C18 | C17 | C16 | H5 | 139.2° | 60.0° |
| O19 | C18 | C17 | C16 | 126.4° | 179.7° |
| O19 | C18 | C17 | H2 | 6.9° | 60.3° |
| O19 | C18 | C17 | H3 | 114.1° | 59.7° |
| C2 | C1 | N1 | N2 | 179.5° | 180.0° |
| C2 | C1 | N2 | C5 | 0.5° | 0.1° |
| C2 | C1 | N1 | H28 | 179.5° | 180.0° |
| C2 | C1 | N1 | H29 | 60.5° | 0.0° |
| C15 | C16 | C17 | H4 | 119.7° | 120.0° |
| C15 | C16 | C17 | H5 | 119.8° | 120.0° |
| C15 | C16 | C17 | H2 | 100.1° | 60.0° |
| C15 | C16 | C17 | H3 | 139.0° | 60.0° |
| C15 | C16 | H4 | H5 | 120.8° | 120.1° |
| C16 | C15 | H6 | H7 | 114.6° | 120.0° |
| C16 | C17 | H2 | H3 | 121.4° | 120.0° |
| C17 | C16 | H4 | H5 | 120.8° | 119.9° |
| C17 | C16 | C15 | H6 | 77.2° | 60.0° |
| C17 | C16 | C15 | H7 | 39.4° | 60.0° |
| O3 | AP | O10 | O8 | 107.6° | 120.1° |
| O3 | AP | O10 | O9 | 128.3° | 120.0° |
| O3 | AP | O8 | O9 | 112.0° | 120.0° |
| O3 | AP | O9 | H17 | 129.6° | 60.0° |
| N3 | C5 | N2 | C1 | 0.1° | 0.1° |
| N3 | C5 | N2 | H27 | 180.0° | 179.9° |
| O10 | AP | O8 | O9 | 131.5° | 119.9° |
| O10 | AP | O9 | H17 | 0.0° | 180.0° |
| O8 | AP | O9 | H17 | 126.3° | 60.0° |
| AP | O8 | C10 | H18 | 52.3° | 60.0° |
| AP | O8 | C10 | H19 | 68.4° | 60.0° |
| N1 | C1 | N2 | C5 | 180.0° | 179.9° |
| C1 | N1 | H28 | H29 | 120.0° | 180.0° |
| C1 | N2 | C5 | H27 | 179.9° | 180.0° |
| N2 | C1 | N1 | H28 | 0.0° | 0.0° |
| N2 | C1 | N1 | H29 | 120.0° | 180.0° |
| H2 | C17 | C16 | H4 | 140.2° | 179.9° |
| H2 | C17 | C16 | H5 | 19.7° | 60.0° |
| H3 | C17 | C16 | H4 | 19.2° | 60.0° |
| H3 | C17 | C16 | H5 | 101.3° | 180.0° |
| H4 | C16 | C15 | H6 | 163.0° | 180.0° |
| H4 | C16 | C15 | H7 | 80.4° | 60.0° |
| H5 | C16 | C15 | H6 | 42.5° | 60.0° |
| H5 | C16 | C15 | H7 | 159.1° | 180.0° |
| H8 | C14 | C13 | H9 | 91.0° | 146.4° |
| H9 | C13 | O16 | H10 | 58.4° | 57.3° |
| H9 | C13 | C12 | H11 | 47.4° | 0.0° |
| H11 | C12 | O15 | H12 | 37.9° | 61.2° |
| H11 | C12 | C20 | H13 | 173.8° | 146.5° |
| H13 | C20 | C19 | H14 | 64.3° | 67.3° |
| H13 | C20 | C19 | H15 | 55.2° | 172.7° |
| H18 | C10 | C7 | H20 | 63.6° | 174.5° |
| H19 | C10 | C7 | H20 | 175.7° | 65.5° |
| H20 | C7 | C9 | H21 | 96.3° | 123.7° |
| H21 | C9 | O7 | H22 | 54.7° | 61.0° |
| H21 | C9 | C8 | H24 | 38.4° | 21.4° |
| H23 | C6 | C8 | H24 | 158.6° | 160.3° |
