HJN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | doub | 1.48Å | 1.52Å | |
| O5 | C2 | sing | 1.43Å | 1.43Å | |
| O3 | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O2 | sing | 1.61Å | 1.61Å | |
| P1 | O4 | sing | 1.61Å | 1.52Å | |
| O2 | C1 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O7 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O6 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.49Å | |
| O9 | C17 | doub | 1.22Å | 1.22Å | |
| N4 | C17 | sing | 1.35Å | 1.37Å | |
| N4 | C6 | sing | 1.37Å | 1.38Å | |
| C17 | N3 | sing | 1.35Å | 1.37Å | |
| N1 | C6 | sing | 1.38Å | 1.40Å | |
| N1 | C7 | sing | 1.40Å | 1.42Å | |
| C6 | C8 | doub | 1.37Å | 1.42Å | |
| C10 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| N3 | C16 | sing | 1.35Å | 1.38Å | |
| C7 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C11 | sing | 1.51Å | 1.50Å | |
| C8 | C16 | sing | 1.40Å | 1.41Å | |
| C8 | N2 | sing | 1.42Å | 1.40Å | |
| C11 | C12 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | O8 | doub | 1.22Å | 1.23Å | |
| C22 | C20 | sing | 1.51Å | 1.50Å | |
| C9 | N2 | sing | 1.40Å | 1.41Å | |
| C9 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C18 | sing | 1.46Å | 1.47Å | |
| C19 | C20 | doub | 1.31Å | 1.33Å | |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.50Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.31Å | 1.32Å | |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | C27 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| N4 | H37 | sing | 0.97Å | 1.00Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| O4 | H39 | sing | 0.97Å | 0.95Å | |
| O5 | H40 | sing | 0.97Å | 0.95Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O3 | 113.0° | 109.5° |
| O1 | P1 | O2 | 105.7° | 109.5° |
| O1 | P1 | O4 | 112.8° | 109.5° |
| O5 | C2 | C1 | 109.3° | 109.5° |
| O5 | C2 | C3 | 109.4° | 109.5° |
| O5 | C2 | H1 | 109.2° | 109.5° |
| C2 | O5 | H40 | 109.5° | 114.0° |
| O3 | P1 | O2 | 105.9° | 109.5° |
| O3 | P1 | O4 | 112.9° | 109.5° |
| P1 | O3 | H38 | 109.5° | 114.1° |
| O2 | P1 | O4 | 105.7° | 109.4° |
| P1 | O2 | C1 | 118.8° | 123.0° |
| P1 | O4 | H39 | 109.5° | 113.9° |
| O2 | C1 | C2 | 108.3° | 109.5° |
| O2 | C1 | H7 | 109.7° | 109.5° |
| O2 | C1 | H8 | 109.7° | 109.5° |
| C1 | C2 | C3 | 112.9° | 109.5° |
| C1 | C2 | H1 | 108.1° | 109.5° |
| C2 | C1 | H7 | 109.8° | 109.5° |
| C2 | C1 | H8 | 109.8° | 109.5° |
| C2 | C3 | O7 | 109.3° | 109.5° |
| C2 | C3 | C4 | 114.1° | 109.5° |
| C3 | C2 | H1 | 107.8° | 109.5° |
| C2 | C3 | H36 | 107.5° | 109.5° |
| O7 | C3 | C4 | 109.5° | 109.5° |
| O7 | C3 | H36 | 108.8° | 109.4° |
| C3 | O7 | H41 | 109.5° | 114.0° |
| C3 | C4 | O6 | 109.1° | 109.5° |
| C3 | C4 | C5 | 109.4° | 109.5° |
| C3 | C4 | H3 | 108.9° | 109.4° |
| C4 | C3 | H36 | 107.5° | 109.4° |
| O6 | C4 | C5 | 109.8° | 109.5° |
| O6 | C4 | H3 | 110.5° | 109.5° |
| C4 | O6 | H6 | 109.5° | 114.0° |
| C4 | C5 | N1 | 113.6° | 109.5° |
| C5 | C4 | H3 | 109.1° | 109.5° |
| C4 | C5 | H4 | 108.4° | 109.5° |
| C4 | C5 | H5 | 108.4° | 109.5° |
| C5 | N1 | C6 | 120.8° | 120.2° |
| C5 | N1 | C7 | 119.9° | 120.1° |
| N1 | C5 | H4 | 108.4° | 109.5° |
| N1 | C5 | H5 | 108.4° | 109.4° |
| O9 | C17 | N4 | 120.8° | 119.5° |
| O9 | C17 | N3 | 122.1° | 119.4° |
| C17 | N4 | C6 | 121.8° | 120.2° |
| N4 | C17 | N3 | 117.1° | 121.1° |
| C17 | N4 | H37 | 119.1° | 119.9° |
| N4 | C6 | N1 | 121.6° | 120.4° |
| N4 | C6 | C8 | 120.0° | 119.3° |
| C6 | N4 | H37 | 119.1° | 119.9° |
| C17 | N3 | C16 | 125.2° | 120.6° |
| C17 | N3 | H2 | 117.4° | 119.7° |
| C6 | N1 | C7 | 119.2° | 119.7° |
| N1 | C6 | C8 | 118.4° | 120.3° |
| N1 | C7 | C10 | 122.2° | 120.7° |
| N1 | C7 | C9 | 118.3° | 119.5° |
| C6 | C8 | C16 | 119.2° | 119.4° |
| C6 | C8 | N2 | 118.2° | 120.0° |
| C7 | C10 | C11 | 120.9° | 119.8° |
| C10 | C7 | C9 | 119.5° | 119.8° |
| C7 | C10 | H9 | 119.5° | 120.1° |
| C10 | C11 | C15 | 120.1° | 119.9° |
| C10 | C11 | C12 | 119.5° | 120.3° |
| C11 | C10 | H9 | 119.6° | 120.1° |
| N3 | C16 | C8 | 116.6° | 119.3° |
| N3 | C16 | O8 | 119.1° | 120.3° |
| C16 | N3 | H2 | 117.4° | 119.7° |
| C7 | C9 | N2 | 118.6° | 119.1° |
| C7 | C9 | C13 | 119.9° | 120.0° |
| C15 | C11 | C12 | 120.4° | 119.8° |
| C11 | C15 | H14 | 109.5° | 109.5° |
| C11 | C15 | H15 | 109.5° | 109.5° |
| C11 | C15 | H16 | 109.5° | 109.5° |
| C16 | C8 | N2 | 122.6° | 120.6° |
| C8 | C16 | O8 | 124.2° | 120.4° |
| C8 | N2 | C9 | 119.0° | 118.7° |
| C8 | N2 | C18 | 118.9° | 120.6° |
| C11 | C12 | C13 | 119.4° | 120.2° |
| C11 | C12 | C14 | 120.6° | 119.9° |
| C22 | C20 | C19 | 122.8° | 120.0° |
| C22 | C20 | C21 | 115.5° | 120.0° |
| C20 | C22 | H24 | 109.5° | 109.5° |
| C20 | C22 | H25 | 109.5° | 109.5° |
| C20 | C22 | H26 | 109.5° | 109.5° |
| N2 | C9 | C13 | 121.5° | 120.9° |
| C9 | N2 | C18 | 116.9° | 120.7° |
| C9 | C13 | C12 | 120.8° | 119.8° |
| C9 | C13 | H10 | 119.6° | 120.1° |
| N2 | C18 | C19 | 110.0° | 109.5° |
| N2 | C18 | H17 | 109.4° | 109.5° |
| N2 | C18 | H18 | 109.3° | 109.5° |
| C20 | C19 | C18 | 127.6° | 120.0° |
| C19 | C20 | C21 | 121.7° | 120.0° |
| C20 | C19 | H19 | 116.2° | 120.0° |
| C19 | C18 | H17 | 109.3° | 109.5° |
| C19 | C18 | H18 | 109.3° | 109.5° |
| C18 | C19 | H19 | 116.2° | 120.0° |
| C20 | C21 | C23 | 114.5° | 109.5° |
| C20 | C21 | H22 | 108.2° | 109.4° |
| C20 | C21 | H23 | 108.2° | 109.5° |
| C13 | C12 | C14 | 120.1° | 119.9° |
| C12 | C13 | H10 | 119.6° | 120.1° |
| C12 | C14 | H11 | 109.5° | 109.5° |
| C12 | C14 | H12 | 109.5° | 109.5° |
| C12 | C14 | H13 | 109.5° | 109.4° |
| C21 | C23 | C24 | 112.2° | 109.5° |
| C23 | C21 | H22 | 108.2° | 109.4° |
| C23 | C21 | H23 | 108.2° | 109.5° |
| C21 | C23 | H27 | 108.8° | 109.5° |
| C21 | C23 | H28 | 108.8° | 109.5° |
| C23 | C24 | C25 | 128.7° | 120.0° |
| C24 | C23 | H27 | 108.8° | 109.5° |
| C24 | C23 | H28 | 108.8° | 109.5° |
| C23 | C24 | H29 | 115.7° | 120.0° |
| C24 | C25 | C26 | 122.8° | 120.0° |
| C24 | C25 | C27 | 122.6° | 120.0° |
| C25 | C24 | H29 | 115.7° | 120.0° |
| C26 | C25 | C27 | 114.6° | 120.0° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C25 | C26 | H31 | 109.5° | 109.5° |
| C25 | C26 | H32 | 109.5° | 109.5° |
| C25 | C27 | H33 | 109.5° | 109.5° |
| C25 | C27 | H34 | 109.5° | 109.5° |
| C25 | C27 | H35 | 109.4° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.4° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H24 | C22 | H26 | 109.4° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.4° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.4° |
| H30 | C26 | H32 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.4° |
| H33 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O3 | O2 | 115.2° | 120.0° |
| O1 | P1 | O3 | O4 | 129.5° | 120.0° |
| O1 | P1 | O2 | O4 | 119.8° | 119.9° |
| O1 | P1 | O2 | C1 | 175.2° | 55.1° |
| O1 | P1 | O3 | H38 | 0.0° | 179.9° |
| O1 | P1 | O4 | H39 | 0.0° | 60.1° |
| O5 | C2 | C1 | O2 | 58.8° | 65.0° |
| O5 | C2 | C1 | C3 | 122.1° | 120.0° |
| O5 | C2 | C1 | H1 | 118.7° | 120.0° |
| O5 | C2 | C3 | H1 | 118.6° | 120.0° |
| O5 | C2 | C3 | O7 | 50.5° | 180.0° |
| O5 | C2 | C3 | C4 | 173.5° | 60.0° |
| O5 | C2 | C1 | H7 | 61.1° | 175.0° |
| O5 | C2 | C1 | H8 | 178.5° | 55.0° |
| O5 | C2 | C3 | H36 | 67.4° | 60.0° |
| O3 | P1 | O2 | O4 | 120.1° | 120.0° |
| O3 | P1 | O2 | C1 | 55.1° | 65.0° |
| O3 | P1 | O4 | H39 | 129.6° | 60.0° |
| P1 | O2 | C1 | C2 | 169.5° | 180.0° |
| P1 | O2 | C1 | H7 | 70.7° | 59.9° |
| P1 | O2 | C1 | H8 | 49.7° | 60.0° |
| O2 | P1 | O3 | H38 | 115.3° | 59.9° |
| O2 | P1 | O4 | H39 | 115.0° | 180.0° |
| O4 | P1 | O2 | C1 | 65.0° | 175.0° |
| O4 | P1 | O3 | H38 | 129.5° | 60.1° |
| O2 | C1 | C2 | H7 | 119.8° | 120.1° |
| O2 | C1 | C2 | H8 | 119.8° | 120.0° |
| O2 | C1 | C2 | C3 | 179.2° | 175.0° |
| O2 | C1 | C2 | H1 | 60.0° | 55.0° |
| O2 | C1 | H7 | H8 | 120.5° | 120.0° |
| C1 | C2 | C3 | H1 | 119.3° | 120.0° |
| C1 | C2 | C3 | O7 | 71.5° | 60.0° |
| C1 | C2 | C3 | C4 | 51.5° | 180.0° |
| C2 | C1 | H7 | H8 | 120.6° | 120.0° |
| C1 | C2 | C3 | H36 | 170.5° | 60.0° |
| C1 | C2 | O5 | H40 | 180.0° | 60.0° |
| C2 | C3 | O7 | C4 | 125.6° | 120.0° |
| C2 | C3 | O7 | H36 | 117.1° | 120.1° |
| C2 | C3 | C4 | H36 | 119.1° | 120.1° |
| C2 | C3 | C4 | O6 | 41.9° | 60.0° |
| C2 | C3 | C4 | C5 | 162.1° | NaN° |
| C2 | C3 | C4 | H3 | 78.7° | 60.0° |
| C3 | C2 | C1 | H7 | 61.0° | 55.0° |
| C3 | C2 | C1 | H8 | 59.4° | 65.0° |
| C3 | C2 | O5 | H40 | 55.9° | 60.0° |
| C2 | C3 | O7 | H41 | 180.0° | 60.0° |
| O7 | C3 | C4 | H36 | 118.0° | 119.9° |
| O7 | C3 | C4 | O6 | 164.8° | 180.0° |
| O7 | C3 | C4 | C5 | 75.1° | 60.0° |
| O7 | C3 | C2 | H1 | 169.2° | 60.0° |
| O7 | C3 | C4 | H3 | 44.1° | 60.0° |
| C3 | C4 | O6 | C5 | 119.9° | 120.0° |
| C3 | C4 | O6 | H3 | 119.7° | 120.0° |
| C3 | C4 | C5 | H3 | 119.1° | 120.0° |
| C3 | C4 | C5 | N1 | 179.9° | 180.0° |
| C4 | C3 | C2 | H1 | 67.9° | 60.0° |
| C3 | C4 | C5 | H4 | 59.3° | 60.0° |
| C3 | C4 | C5 | H5 | 59.5° | 60.0° |
| C3 | C4 | O6 | H6 | 180.0° | 60.0° |
| C4 | C3 | O7 | H41 | 54.4° | 60.0° |
| O6 | C4 | C5 | H3 | 121.2° | 120.1° |
| O6 | C4 | C5 | N1 | 60.2° | 60.0° |
| O6 | C4 | C5 | H4 | 60.4° | 180.0° |
| O6 | C4 | C5 | H5 | 179.2° | 60.0° |
| O6 | C4 | C3 | H36 | 77.2° | 60.0° |
| C4 | C5 | N1 | H4 | 120.6° | 120.0° |
| C4 | C5 | N1 | H5 | 120.6° | 120.0° |
| C4 | C5 | N1 | C6 | 83.0° | 90.0° |
| C4 | C5 | N1 | C7 | 95.6° | 90.3° |
| C4 | C5 | H4 | H5 | 118.2° | 120.0° |
| C5 | C4 | O6 | H6 | 60.1° | 60.0° |
| C5 | C4 | C3 | H36 | 43.0° | 59.9° |
| C5 | N1 | C6 | N4 | 22.3° | 13.5° |
| C5 | N1 | C6 | C7 | 178.6° | 179.7° |
| C5 | N1 | C6 | C8 | 158.5° | 166.5° |
| C5 | N1 | C7 | C10 | 21.8° | 13.5° |
| C5 | N1 | C7 | C9 | 158.9° | 166.6° |
| N1 | C5 | C4 | H3 | 61.0° | 60.1° |
| N1 | C5 | H4 | H5 | 118.1° | 120.0° |
| O9 | C17 | N4 | N3 | 179.9° | 180.0° |
| O9 | C17 | N4 | C6 | 179.8° | 180.0° |
| O9 | C17 | N3 | C16 | 179.9° | 180.0° |
| O9 | C17 | N3 | H2 | 0.1° | 0.1° |
| O9 | C17 | N4 | H37 | 0.2° | 0.1° |
| C17 | N4 | C6 | H37 | 180.0° | 180.0° |
| C17 | N4 | C6 | N1 | 179.4° | 180.0° |
| C17 | N4 | C6 | C8 | 0.1° | 0.0° |
| N4 | C17 | N3 | C16 | 0.0° | 0.0° |
| N4 | C17 | N3 | H2 | 180.0° | 180.0° |
| C6 | N4 | C17 | N3 | 0.3° | 0.0° |
| N4 | C6 | N1 | C8 | 179.3° | 180.0° |
| N4 | C6 | N1 | C7 | 156.3° | 166.2° |
| N4 | C6 | C8 | C16 | 0.3° | 0.0° |
| N4 | C6 | C8 | N2 | 179.3° | 179.8° |
| C17 | N3 | C16 | H2 | 180.0° | 179.9° |
| C17 | N3 | C16 | C8 | 0.5° | 0.0° |
| C17 | N3 | C16 | O8 | 179.9° | 179.9° |
| N3 | C17 | N4 | H37 | 179.7° | 180.0° |
| C6 | N1 | C7 | C10 | 156.8° | 166.2° |
| C6 | N1 | C7 | C9 | 22.5° | 13.7° |
| N1 | C6 | C8 | C16 | 179.0° | 180.0° |
| N1 | C6 | C8 | N2 | 0.0° | 0.1° |
| C6 | N1 | C5 | H4 | 156.4° | 150.0° |
| C6 | N1 | C5 | H5 | 37.6° | 30.0° |
| N1 | C6 | N4 | H37 | 0.6° | 0.0° |
| C7 | N1 | C6 | C8 | 23.0° | 13.8° |
| N1 | C7 | C10 | C9 | 179.3° | 179.9° |
| N1 | C7 | C10 | C11 | 179.5° | 180.0° |
| N1 | C7 | C9 | N2 | 1.0° | 0.1° |
| N1 | C7 | C9 | C13 | 179.5° | 180.0° |
| C7 | N1 | C5 | H4 | 25.0° | 29.7° |
| C7 | N1 | C5 | H5 | 143.8° | 149.7° |
| N1 | C7 | C10 | H9 | 0.5° | 0.1° |
| C6 | C8 | C16 | N3 | 0.6° | 0.0° |
| C6 | C8 | C16 | N2 | 178.9° | 179.9° |
| C6 | C8 | C16 | O8 | 179.8° | 179.9° |
| C6 | C8 | N2 | C9 | 23.5° | 13.4° |
| C6 | C8 | N2 | C18 | 130.4° | 166.6° |
| C8 | C6 | N4 | H37 | 179.9° | 180.0° |
| C7 | C10 | C11 | H9 | 180.0° | 179.9° |
| C7 | C10 | C11 | C15 | 179.9° | 180.0° |
| C7 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C7 | C9 | N2 | 179.7° | 179.9° |
| C10 | C7 | C9 | C13 | 0.2° | 0.1° |
| C11 | C10 | C7 | C9 | 0.2° | 0.1° |
| C10 | C11 | C15 | C12 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | C14 | 180.0° | 180.0° |
| C10 | C11 | C15 | H14 | 90.1° | 90.0° |
| C10 | C11 | C15 | H15 | 149.9° | 150.0° |
| C10 | C11 | C15 | H16 | 29.9° | 30.0° |
| N3 | C16 | C8 | O8 | 179.6° | 179.9° |
| N3 | C16 | C8 | N2 | 179.5° | 179.8° |
| C7 | C9 | N2 | C8 | 24.0° | 13.2° |
| C7 | C9 | N2 | C13 | 179.5° | 180.0° |
| C7 | C9 | N2 | C18 | 130.4° | 166.8° |
| C7 | C9 | C13 | C12 | 0.1° | 0.1° |
| C9 | C7 | C10 | H9 | 179.7° | 180.0° |
| C7 | C9 | C13 | H10 | 179.9° | 179.9° |
| C15 | C11 | C12 | C13 | 179.6° | 180.0° |
| C15 | C11 | C12 | C14 | 0.2° | 0.1° |
| C15 | C11 | C10 | H9 | 0.1° | 0.1° |
| C11 | C15 | H14 | H15 | 120.0° | 120.0° |
| C11 | C15 | H14 | H16 | 120.0° | 120.0° |
| C11 | C15 | H15 | H16 | 120.0° | 120.0° |
| C16 | C8 | N2 | C9 | 155.5° | 166.5° |
| C16 | C8 | N2 | C18 | 50.6° | 13.5° |
| C8 | C16 | N3 | H2 | 179.5° | 180.0° |
| N2 | C8 | C16 | O8 | 0.9° | 0.2° |
| C8 | N2 | C9 | C18 | 154.4° | 180.0° |
| C8 | N2 | C9 | C13 | 156.5° | 166.7° |
| C8 | N2 | C18 | C19 | 92.9° | 91.6° |
| C8 | N2 | C18 | H17 | 27.2° | 148.4° |
| C8 | N2 | C18 | H18 | 147.0° | 28.4° |
| C11 | C12 | C13 | C9 | 0.3° | 0.1° |
| C11 | C12 | C13 | C14 | 179.8° | 179.9° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | H10 | 179.7° | 180.0° |
| C11 | C12 | C14 | H11 | 90.1° | 90.0° |
| C11 | C12 | C14 | H12 | 149.9° | 150.0° |
| C11 | C12 | C14 | H13 | 29.9° | 30.1° |
| C12 | C11 | C15 | H14 | 90.1° | 90.1° |
| C12 | C11 | C15 | H15 | 29.9° | 30.0° |
| C12 | C11 | C15 | H16 | 149.9° | 150.0° |
| O8 | C16 | N3 | H2 | 0.1° | 0.0° |
| C22 | C20 | C19 | C21 | 177.4° | 180.0° |
| C22 | C20 | C19 | C18 | 151.2° | 173.4° |
| C22 | C20 | C21 | C23 | 8.8° | 87.9° |
| C22 | C20 | C19 | H19 | 28.8° | 6.6° |
| C22 | C20 | C21 | H22 | 112.0° | 32.1° |
| C22 | C20 | C21 | H23 | 129.5° | 152.1° |
| C20 | C22 | H24 | H25 | 120.0° | 120.0° |
| C20 | C22 | H24 | H26 | 120.0° | 120.1° |
| C20 | C22 | H25 | H26 | 120.0° | 120.0° |
| C9 | N2 | C18 | C19 | 61.5° | 88.4° |
| N2 | C9 | C13 | C12 | 179.4° | 179.9° |
| N2 | C9 | C13 | H10 | 0.6° | 0.1° |
| C9 | N2 | C18 | H17 | 178.4° | 31.6° |
| C9 | N2 | C18 | H18 | 58.5° | 151.6° |
| C13 | C9 | N2 | C18 | 49.1° | 13.2° |
| C9 | C13 | C12 | H10 | 180.0° | 179.9° |
| C9 | C13 | C12 | C14 | 180.0° | 180.0° |
| N2 | C18 | C19 | C20 | 95.2° | 126.7° |
| N2 | C18 | C19 | H17 | 120.1° | 120.0° |
| N2 | C18 | C19 | H18 | 120.1° | 120.0° |
| N2 | C18 | H17 | H18 | 119.8° | 120.0° |
| N2 | C18 | C19 | H19 | 84.8° | 53.3° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | C23 | 168.8° | 92.1° |
| C20 | C19 | C18 | H17 | 144.7° | 6.7° |
| C20 | C19 | C18 | H18 | 24.9° | 113.3° |
| C19 | C20 | C21 | H22 | 70.5° | 147.9° |
| C19 | C20 | C21 | H23 | 48.1° | 27.9° |
| C19 | C20 | C22 | H24 | 180.0° | 90.0° |
| C19 | C20 | C22 | H25 | 60.0° | 150.0° |
| C19 | C20 | C22 | H26 | 60.0° | 30.1° |
| C18 | C19 | C20 | C21 | 26.2° | 6.6° |
| C19 | C18 | H17 | H18 | 119.7° | 120.0° |
| C20 | C21 | C23 | H22 | 120.7° | 120.0° |
| C20 | C21 | C23 | H23 | 120.8° | 120.0° |
| C20 | C21 | C23 | C24 | 164.9° | 180.0° |
| C21 | C20 | C19 | H19 | 153.8° | 173.4° |
| C20 | C21 | H22 | H23 | 117.7° | 120.0° |
| C21 | C20 | C22 | H24 | 2.5° | 90.0° |
| C21 | C20 | C22 | H25 | 117.5° | 30.0° |
| C21 | C20 | C22 | H26 | 122.4° | 150.0° |
| C20 | C21 | C23 | H27 | 44.5° | 60.0° |
| C20 | C21 | C23 | H28 | 74.7° | 60.0° |
| C13 | C12 | C14 | H11 | 90.1° | 90.0° |
| C13 | C12 | C14 | H12 | 29.9° | 30.1° |
| C13 | C12 | C14 | H13 | 149.9° | 150.0° |
| C14 | C12 | C13 | H10 | 0.0° | 0.0° |
| C12 | C14 | H11 | H12 | 120.0° | 120.0° |
| C12 | C14 | H11 | H13 | 120.0° | 120.0° |
| C12 | C14 | H12 | H13 | 120.0° | 119.9° |
| C21 | C23 | C24 | H27 | 120.4° | 120.0° |
| C21 | C23 | C24 | H28 | 120.4° | 120.0° |
| C21 | C23 | C24 | C25 | 126.2° | 126.4° |
| C23 | C21 | H22 | H23 | 117.7° | 120.0° |
| C21 | C23 | H27 | H28 | 118.8° | 120.0° |
| C21 | C23 | C24 | H29 | 53.8° | 53.6° |
| C23 | C24 | C25 | H29 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 2.5° | 174.0° |
| C23 | C24 | C25 | C27 | 177.6° | 6.1° |
| C24 | C23 | C21 | H22 | 74.4° | 60.0° |
| C24 | C23 | C21 | H23 | 44.1° | 60.0° |
| C24 | C23 | H27 | H28 | 118.8° | 120.0° |
| C24 | C25 | C26 | C27 | 179.9° | 179.9° |
| C25 | C24 | C23 | H27 | 113.4° | 113.6° |
| C25 | C24 | C23 | H28 | 5.8° | 6.4° |
| C24 | C25 | C26 | H30 | 180.0° | 60.0° |
| C24 | C25 | C26 | H31 | 60.0° | 180.0° |
| C24 | C25 | C26 | H32 | 60.0° | 60.0° |
| C24 | C25 | C27 | H33 | 180.0° | 85.0° |
| C24 | C25 | C27 | H34 | 60.0° | 155.1° |
| C24 | C25 | C27 | H35 | 60.0° | 35.1° |
| C26 | C25 | C24 | H29 | 177.5° | 6.0° |
| C25 | C26 | H30 | H31 | 120.0° | 120.0° |
| C25 | C26 | H30 | H32 | 120.0° | 120.1° |
| C25 | C26 | H31 | H32 | 120.0° | 120.0° |
| C26 | C25 | C27 | H33 | 0.1° | 95.1° |
| C26 | C25 | C27 | H34 | 120.1° | 24.8° |
| C26 | C25 | C27 | H35 | 119.9° | 144.9° |
| C27 | C25 | C24 | H29 | 2.4° | 173.9° |
| C27 | C25 | C26 | H30 | 0.1° | 119.9° |
| C27 | C25 | C26 | H31 | 119.9° | 0.0° |
| C27 | C25 | C26 | H32 | 120.1° | 120.1° |
| C25 | C27 | H33 | H34 | 120.0° | 119.9° |
| C25 | C27 | H33 | H35 | 120.0° | 120.1° |
| C25 | C27 | H34 | H35 | 120.0° | 120.1° |
| H1 | C2 | C1 | H7 | 179.8° | 65.0° |
| H1 | C2 | C1 | H8 | 59.8° | 175.0° |
| H1 | C2 | C3 | H36 | 51.2° | 180.0° |
| H1 | C2 | O5 | H40 | 61.9° | 180.0° |
| H3 | C4 | C5 | H4 | 178.4° | 60.0° |
| H3 | C4 | C5 | H5 | 59.6° | 180.0° |
| H3 | C4 | O6 | H6 | 60.3° | 180.0° |
| H3 | C4 | C3 | H36 | 162.2° | 179.9° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H17 | C18 | C19 | H19 | 35.3° | 173.3° |
| H18 | C18 | C19 | H19 | 155.1° | 66.7° |
| H22 | C21 | C23 | H27 | 165.2° | 180.0° |
| H22 | C21 | C23 | H28 | 46.0° | 60.0° |
| H23 | C21 | C23 | H27 | 76.3° | 60.0° |
| H23 | C21 | C23 | H28 | 164.5° | 180.0° |
| H24 | C22 | H25 | H26 | 119.9° | 120.0° |
| H27 | C23 | C24 | H29 | 66.6° | 66.4° |
| H28 | C23 | C24 | H29 | 174.2° | 173.6° |
| H30 | C26 | H31 | H32 | 120.0° | 120.0° |
| H33 | C27 | H34 | H35 | 120.0° | 120.0° |
| H36 | C3 | O7 | H41 | 62.8° | 179.9° |
