RKS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C8 | sing | 1.47Å | 1.52Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| N4 | C12 | sing | 1.46Å | 1.44Å | |
| N4 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | C4 | sing | 1.36Å | 1.36Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C19 | sing | 1.46Å | 1.46Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| O4 | C11 | doub | 1.21Å | 1.22Å | |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| C8 | O3 | doub | 1.22Å | 1.22Å | |
| O5 | C22 | sing | 1.45Å | 1.06Å | |
| O6 | N2 | sing | 1.42Å | 1.39Å | |
| O6 | HO7 | sing | 0.97Å | 0.95Å | |
| O7 | C20 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | HO8 | sing | 1.09Å | 1.10Å | |
| C10 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | N4 | sing | 1.35Å | 1.33Å | |
| C11 | C9 | sing | 1.51Å | 1.50Å | |
| C12 | C15 | sing | 1.51Å | 1.50Å | |
| C12 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C23 | sing | 1.53Å | 1.14Å | |
| C14 | H18A | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | sing | 1.34Å | 1.22Å | |
| C15 | O8 | doub | 1.21Å | 1.45Å | |
| C16 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | H19A | sing | 1.09Å | 1.10Å | |
| C16 | H19B | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H30A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H31A | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H32A | sing | 1.09Å | 1.10Å | |
| C20 | N2 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H33A | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H311 | sing | 1.09Å | 1.10Å | |
| C22 | H321 | sing | 1.09Å | 1.10Å | |
| C22 | H331 | sing | 1.09Å | 1.10Å | |
| C23 | N3 | sing | 1.46Å | 1.54Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| N3 | C24 | sing | 1.35Å | 1.47Å | |
| N3 | O9 | sing | 1.42Å | 1.47Å | |
| C24 | O10 | doub | 1.21Å | 1.43Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| O9 | H36 | sing | 0.97Å | 0.95Å | |
| C25 | H371 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C1 | C2 | 121.5° | 120.2° |
| C8 | C1 | C7 | 120.1° | 120.1° |
| C1 | C8 | N1 | 118.9° | 120.0° |
| C1 | C8 | O3 | 119.3° | 120.0° |
| C9 | N1 | HN1 | 115.3° | 120.1° |
| C9 | N1 | C8 | 129.3° | 120.0° |
| N1 | C9 | C10 | 113.2° | 109.5° |
| N1 | C9 | HO8 | 107.6° | 109.4° |
| N1 | C9 | C11 | 106.6° | 109.5° |
| HN1 | N1 | C8 | 115.4° | 119.9° |
| HO1 | O1 | C2 | 109.5° | 114.0° |
| C1 | C2 | O1 | 121.5° | 120.2° |
| C1 | C2 | C4 | 120.9° | 119.6° |
| C2 | C1 | C7 | 118.4° | 119.7° |
| O1 | C2 | C4 | 117.6° | 120.2° |
| C12 | N4 | HN2 | 115.2° | 120.0° |
| C12 | N4 | C11 | 129.5° | 120.0° |
| N4 | C12 | C15 | 108.9° | 109.5° |
| N4 | C12 | H13A | 113.5° | 109.5° |
| N4 | C12 | C16 | 104.4° | 109.5° |
| HN2 | N4 | C11 | 115.2° | 120.0° |
| C4 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C4 | C2 | 119.5° | 120.0° |
| O2 | C4 | C5 | 120.1° | 120.0° |
| C2 | C4 | C5 | 120.4° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.3° |
| C4 | C5 | H4 | 120.3° | 119.8° |
| C5 | C6 | C7 | 120.2° | 120.4° |
| C5 | C6 | H5 | 119.9° | 119.8° |
| C6 | C5 | H4 | 120.3° | 119.9° |
| C19 | N2 | O6 | 119.4° | 120.0° |
| N2 | C19 | C18 | 109.8° | 109.5° |
| N2 | C19 | H32 | 109.4° | 109.5° |
| N2 | C19 | H32A | 109.4° | 109.5° |
| C19 | N2 | C20 | 124.3° | 120.0° |
| C7 | C6 | H5 | 119.9° | 119.8° |
| C6 | C7 | C1 | 120.7° | 120.0° |
| C6 | C7 | H6 | 119.7° | 120.0° |
| C1 | C7 | H6 | 119.6° | 120.0° |
| O4 | C11 | N4 | 125.8° | 120.0° |
| O4 | C11 | C9 | 123.1° | 120.0° |
| N1 | C8 | O3 | 121.8° | 120.0° |
| C22 | O5 | C15 | 120.0° | 117.1° |
| O5 | C22 | H311 | 109.5° | 109.5° |
| O5 | C22 | H321 | 109.5° | 109.5° |
| O5 | C22 | H331 | 109.5° | 109.5° |
| N2 | O6 | HO7 | 109.5° | 114.0° |
| O6 | N2 | C20 | 116.3° | 120.0° |
| O7 | C20 | N2 | 121.7° | 120.0° |
| O7 | C20 | C21 | 121.4° | 120.0° |
| C10 | C9 | HO8 | 109.1° | 109.5° |
| C9 | C10 | C13 | 116.8° | 109.5° |
| C9 | C10 | H12 | 107.1° | 109.4° |
| C9 | C10 | H13 | 107.1° | 109.4° |
| C10 | C9 | C11 | 105.1° | 109.5° |
| HO8 | C9 | C11 | 115.4° | 109.5° |
| C13 | C10 | H12 | 107.1° | 109.5° |
| C13 | C10 | H13 | 107.1° | 109.5° |
| C10 | C13 | C14 | 110.0° | 109.5° |
| C10 | C13 | H17 | 109.3° | 109.5° |
| C10 | C13 | H18 | 109.3° | 109.5° |
| H12 | C10 | H13 | 111.8° | 109.5° |
| N4 | C11 | C9 | 111.1° | 120.0° |
| C15 | C12 | H13A | 107.4° | 109.5° |
| C12 | C15 | O5 | 120.3° | 120.0° |
| C12 | C15 | O8 | 120.6° | 120.0° |
| C15 | C12 | C16 | 110.8° | 109.5° |
| H13A | C12 | C16 | 111.7° | 109.5° |
| C14 | C13 | H17 | 109.3° | 109.4° |
| C14 | C13 | H18 | 109.3° | 109.4° |
| C13 | C14 | C23 | 109.5° | 109.5° |
| C13 | C14 | H18A | 109.5° | 109.5° |
| C13 | C14 | H19 | 109.4° | 109.4° |
| H17 | C13 | H18 | 109.7° | 109.5° |
| C23 | C14 | H18A | 109.5° | 109.5° |
| C23 | C14 | H19 | 109.5° | 109.5° |
| C14 | C23 | N3 | 120.0° | 109.5° |
| C14 | C23 | H34 | 106.1° | 109.5° |
| C14 | C23 | H35 | 106.1° | 109.5° |
| H18A | C14 | H19 | 109.5° | 109.4° |
| O5 | C15 | O8 | 119.1° | 120.0° |
| C12 | C16 | H19A | 108.9° | 109.5° |
| C12 | C16 | H19B | 108.9° | 109.4° |
| C12 | C16 | C17 | 111.2° | 109.4° |
| H19A | C16 | H19B | 110.1° | 109.5° |
| H19A | C16 | C17 | 108.9° | 109.5° |
| H19B | C16 | C17 | 108.9° | 109.5° |
| C16 | C17 | H30 | 108.4° | 109.5° |
| C16 | C17 | H30A | 108.4° | 109.5° |
| C16 | C17 | C18 | 112.6° | 109.4° |
| H30 | C17 | H30A | 110.5° | 109.5° |
| H30 | C17 | C18 | 108.4° | 109.4° |
| H30A | C17 | C18 | 108.5° | 109.5° |
| C17 | C18 | H31 | 108.7° | 109.4° |
| C17 | C18 | H31A | 108.7° | 109.5° |
| C17 | C18 | C19 | 111.8° | 109.5° |
| H31 | C18 | H31A | 110.2° | 109.5° |
| H31 | C18 | C19 | 108.7° | 109.4° |
| H31A | C18 | C19 | 108.7° | 109.5° |
| C18 | C19 | H32 | 109.4° | 109.5° |
| C18 | C19 | H32A | 109.4° | 109.4° |
| H32 | C19 | H32A | 109.5° | 109.4° |
| N2 | C20 | C21 | 116.9° | 120.0° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C21 | H33A | 109.5° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.5° |
| H33 | C21 | H33A | 109.4° | 109.4° |
| H33 | C21 | H37 | 109.5° | 109.5° |
| H33A | C21 | H37 | 109.5° | 109.4° |
| H311 | C22 | H321 | 109.5° | 109.5° |
| H311 | C22 | H331 | 109.5° | 109.5° |
| H321 | C22 | H331 | 109.5° | 109.5° |
| N3 | C23 | H34 | 106.1° | 109.5° |
| N3 | C23 | H35 | 106.1° | 109.4° |
| C23 | N3 | C24 | 120.0° | 120.0° |
| C23 | N3 | O9 | 120.1° | 120.0° |
| H34 | C23 | H35 | 112.6° | 109.4° |
| C24 | N3 | O9 | 120.0° | 120.0° |
| N3 | C24 | O10 | 109.5° | 120.0° |
| N3 | C24 | C25 | 109.4° | 120.0° |
| N3 | O9 | H36 | 109.5° | 114.0° |
| O10 | C24 | C25 | 109.5° | 120.0° |
| C24 | C25 | H371 | 109.5° | 109.5° |
| C24 | C25 | H38 | 109.5° | 109.4° |
| C24 | C25 | H39 | 109.5° | 109.5° |
| H371 | C25 | H38 | 109.5° | 109.5° |
| H371 | C25 | H39 | 109.5° | 109.5° |
| H38 | C25 | H39 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C8 | N1 | C9 | 177.7° | 180.0° |
| C1 | C8 | N1 | HN1 | 2.3° | 0.1° |
| C8 | C1 | C2 | C7 | 178.2° | 179.8° |
| C8 | C1 | C2 | O1 | 1.3° | 0.0° |
| C8 | C1 | C2 | C4 | 179.2° | 180.0° |
| C8 | C1 | C7 | C6 | 179.2° | 179.7° |
| C8 | C1 | C7 | H6 | 0.7° | 0.3° |
| C1 | C8 | N1 | O3 | 179.5° | 180.0° |
| C9 | N1 | HN1 | C8 | 180.0° | 180.0° |
| N1 | C9 | C11 | O4 | 56.3° | 20.1° |
| C9 | N1 | C8 | O3 | 1.8° | 0.0° |
| N1 | C9 | C10 | HO8 | 119.8° | 120.0° |
| N1 | C9 | C10 | C11 | 116.0° | 120.0° |
| N1 | C9 | HO8 | C11 | 118.9° | 120.0° |
| N1 | C9 | C10 | C13 | 114.2° | 65.0° |
| N1 | C9 | C10 | H12 | 125.8° | 175.0° |
| N1 | C9 | C10 | H13 | 5.7° | 55.0° |
| N1 | C9 | C11 | N4 | 122.1° | 160.0° |
| HN1 | N1 | C8 | O3 | 178.2° | 180.0° |
| HN1 | N1 | C9 | C10 | 102.9° | 119.9° |
| HN1 | N1 | C9 | HO8 | 136.5° | 0.0° |
| HN1 | N1 | C9 | C11 | 12.1° | 120.0° |
| HO1 | O1 | C2 | C1 | 180.0° | 90.0° |
| HO1 | O1 | C2 | C4 | 0.5° | 90.0° |
| C1 | C2 | O1 | C4 | 179.5° | 180.0° |
| C1 | C2 | C4 | O2 | 179.5° | 180.0° |
| C1 | C2 | C4 | C5 | 0.5° | 0.0° |
| C2 | C1 | C7 | C6 | 1.0° | 0.5° |
| C2 | C1 | C7 | H6 | 179.0° | 180.0° |
| C2 | C1 | C8 | N1 | 4.3° | 180.0° |
| C2 | C1 | C8 | O3 | 175.2° | 0.0° |
| O1 | C2 | C4 | O2 | 0.0° | 0.0° |
| O1 | C2 | C4 | C5 | 179.9° | 180.0° |
| O1 | C2 | C1 | C7 | 179.6° | 179.7° |
| C12 | N4 | HN2 | C11 | 180.0° | 179.9° |
| C12 | N4 | C11 | O4 | 1.8° | 0.0° |
| C12 | N4 | C11 | C9 | 179.9° | 179.9° |
| N4 | C12 | C15 | H13A | 123.3° | 120.1° |
| N4 | C12 | C15 | C16 | 114.4° | 120.0° |
| N4 | C12 | H13A | C16 | 117.8° | 120.0° |
| N4 | C12 | C15 | O5 | 39.1° | 180.0° |
| N4 | C12 | C15 | O8 | 140.4° | 0.0° |
| N4 | C12 | C16 | H19A | 59.2° | 55.0° |
| N4 | C12 | C16 | H19B | 179.2° | 175.0° |
| N4 | C12 | C16 | C17 | 60.8° | 65.0° |
| HN2 | N4 | C11 | O4 | 178.2° | 179.9° |
| HN2 | N4 | C11 | C9 | 0.1° | 0.0° |
| HN2 | N4 | C12 | C15 | 53.1° | 95.0° |
| HN2 | N4 | C12 | H13A | 172.7° | 144.9° |
| HN2 | N4 | C12 | C16 | 65.3° | 24.9° |
| O2 | C4 | C2 | C5 | 180.0° | 180.0° |
| O2 | C4 | C5 | C6 | 180.0° | 179.9° |
| O2 | C4 | C5 | H4 | 0.0° | 0.0° |
| HO2 | O2 | C4 | C2 | 180.0° | 90.1° |
| HO2 | O2 | C4 | C5 | 0.0° | 89.9° |
| C2 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C2 | C1 | C7 | 1.0° | 0.3° |
| C2 | C4 | C5 | H4 | 179.9° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 179.8° |
| C5 | C6 | C7 | C1 | 0.5° | 0.5° |
| C5 | C6 | C7 | H6 | 179.5° | 179.9° |
| C19 | N2 | O6 | C20 | 179.6° | 180.0° |
| C19 | N2 | O6 | HO7 | 179.7° | 180.0° |
| C19 | N2 | C20 | O7 | 179.9° | 0.0° |
| N2 | C19 | C18 | C17 | 64.4° | 180.0° |
| N2 | C19 | C18 | H31 | 175.6° | 60.1° |
| N2 | C19 | C18 | H31A | 55.6° | 59.9° |
| N2 | C19 | C18 | H32 | 120.0° | 120.1° |
| N2 | C19 | C18 | H32A | 120.0° | 120.0° |
| N2 | C19 | H32 | H32A | 119.9° | 120.1° |
| C19 | N2 | C20 | C21 | 0.2° | 180.0° |
| C6 | C7 | C1 | H6 | 180.0° | 179.4° |
| C7 | C6 | C5 | H4 | 179.9° | 179.7° |
| H5 | C6 | C7 | C1 | 179.5° | 179.7° |
| H5 | C6 | C7 | H6 | 0.5° | 0.2° |
| H5 | C6 | C5 | H4 | 0.1° | 0.1° |
| C7 | C1 | C8 | N1 | 177.5° | 0.3° |
| C7 | C1 | C8 | O3 | 3.0° | 179.7° |
| O4 | C11 | C9 | C10 | 176.7° | 100.0° |
| O4 | C11 | C9 | HO8 | 63.2° | 140.0° |
| O4 | C11 | N4 | C9 | 178.3° | 179.9° |
| C8 | N1 | C9 | C10 | 77.1° | 60.0° |
| C8 | N1 | C9 | HO8 | 43.5° | 180.0° |
| C8 | N1 | C9 | C11 | 167.9° | 60.1° |
| C22 | O5 | C15 | C12 | 0.0° | 180.0° |
| C22 | O5 | C15 | O8 | 179.5° | 0.0° |
| O5 | C22 | H311 | H321 | 120.0° | 120.0° |
| O5 | C22 | H311 | H331 | 120.0° | 120.1° |
| O5 | C22 | H321 | H331 | 120.0° | 120.0° |
| O6 | N2 | C20 | O7 | 0.3° | 180.0° |
| O6 | N2 | C19 | C18 | 10.8° | 105.0° |
| O6 | N2 | C19 | H32 | 109.2° | 15.0° |
| O6 | N2 | C19 | H32A | 130.8° | 135.0° |
| O6 | N2 | C20 | C21 | 179.8° | 0.0° |
| HO7 | O6 | N2 | C20 | 0.2° | 0.0° |
| O7 | C20 | N2 | C21 | 179.9° | 180.0° |
| O7 | C20 | C21 | H33 | 0.0° | 0.0° |
| O7 | C20 | C21 | H33A | 120.0° | 120.0° |
| O7 | C20 | C21 | H37 | 120.0° | 120.0° |
| C10 | C9 | HO8 | C11 | 117.9° | 120.0° |
| C9 | C10 | C13 | H12 | 120.0° | 120.0° |
| C9 | C10 | C13 | H13 | 120.0° | 120.0° |
| C9 | C10 | H12 | H13 | 117.0° | 120.0° |
| C10 | C9 | C11 | N4 | 1.7° | 80.0° |
| C9 | C10 | C13 | C14 | 154.8° | 180.0° |
| C9 | C10 | C13 | H17 | 85.2° | 60.0° |
| C9 | C10 | C13 | H18 | 34.8° | 60.0° |
| HO8 | C9 | C10 | C13 | 5.6° | 55.0° |
| HO8 | C9 | C10 | H12 | 114.4° | 65.0° |
| HO8 | C9 | C10 | H13 | 125.5° | 175.0° |
| HO8 | C9 | C11 | N4 | 118.5° | 40.0° |
| C13 | C10 | H12 | H13 | 117.0° | 120.1° |
| C13 | C10 | C9 | C11 | 129.8° | 175.0° |
| C10 | C13 | C14 | H17 | 120.0° | 120.0° |
| C10 | C13 | C14 | H18 | 120.0° | 120.0° |
| C10 | C13 | H17 | H18 | 119.8° | 120.1° |
| C10 | C13 | C14 | C23 | 99.2° | 180.0° |
| C10 | C13 | C14 | H18A | 140.8° | 59.9° |
| C10 | C13 | C14 | H19 | 20.8° | 60.0° |
| H12 | C10 | C9 | C11 | 9.8° | 55.0° |
| H12 | C10 | C13 | C14 | 34.8° | 60.0° |
| H12 | C10 | C13 | H17 | 154.8° | 180.0° |
| H12 | C10 | C13 | H18 | 85.2° | 59.9° |
| H13 | C10 | C9 | C11 | 110.2° | 65.0° |
| H13 | C10 | C13 | C14 | 85.2° | 60.0° |
| H13 | C10 | C13 | H17 | 34.8° | 59.9° |
| H13 | C10 | C13 | H18 | 154.8° | 180.0° |
| C11 | N4 | C12 | C15 | 126.9° | 85.0° |
| C11 | N4 | C12 | H13A | 7.2° | 35.0° |
| C11 | N4 | C12 | C16 | 114.7° | 155.0° |
| C15 | C12 | H13A | C16 | 121.8° | 120.0° |
| C12 | C15 | O5 | O8 | 179.5° | 180.0° |
| C15 | C12 | C16 | H19A | 57.9° | 65.0° |
| C15 | C12 | C16 | H19B | 62.1° | 55.0° |
| C15 | C12 | C16 | C17 | 177.9° | 175.0° |
| H13A | C12 | C15 | O5 | 162.4° | 60.0° |
| H13A | C12 | C15 | O8 | 17.1° | 120.1° |
| H13A | C12 | C16 | H19A | 177.7° | 175.0° |
| H13A | C12 | C16 | H19B | 57.7° | 65.0° |
| H13A | C12 | C16 | C17 | 62.3° | 55.0° |
| C14 | C13 | H17 | H18 | 119.8° | 120.0° |
| C13 | C14 | C23 | H18A | 120.0° | 120.0° |
| C13 | C14 | C23 | H19 | 120.0° | 120.0° |
| C13 | C14 | H18A | H19 | 120.0° | 120.0° |
| C13 | C14 | C23 | N3 | 180.0° | 180.0° |
| C13 | C14 | C23 | H34 | 60.0° | 59.9° |
| C13 | C14 | C23 | H35 | 60.0° | 60.0° |
| H17 | C13 | C14 | C23 | 20.8° | 60.0° |
| H17 | C13 | C14 | H18A | 99.2° | 180.0° |
| H17 | C13 | C14 | H19 | 140.8° | 60.0° |
| H18 | C13 | C14 | C23 | 140.8° | 60.0° |
| H18 | C13 | C14 | H18A | 20.8° | 60.1° |
| H18 | C13 | C14 | H19 | 99.2° | 180.0° |
| C23 | C14 | H18A | H19 | 120.0° | 120.0° |
| C14 | C23 | N3 | H34 | 120.0° | 120.0° |
| C14 | C23 | N3 | H35 | 120.0° | 120.0° |
| C14 | C23 | H34 | H35 | 115.7° | 120.0° |
| C14 | C23 | N3 | C24 | 90.0° | 75.0° |
| C14 | C23 | N3 | O9 | 90.0° | 105.0° |
| H18A | C14 | C23 | N3 | 60.0° | 60.0° |
| H18A | C14 | C23 | H34 | 180.0° | 180.0° |
| H18A | C14 | C23 | H35 | 60.0° | 60.0° |
| H19 | C14 | C23 | N3 | 60.0° | 60.0° |
| H19 | C14 | C23 | H34 | 60.0° | 60.0° |
| H19 | C14 | C23 | H35 | 180.0° | 180.0° |
| O5 | C15 | C12 | C16 | 75.3° | 60.0° |
| C15 | O5 | C22 | H311 | 180.0° | 60.0° |
| C15 | O5 | C22 | H321 | 60.0° | 60.0° |
| C15 | O5 | C22 | H331 | 60.0° | 180.0° |
| O8 | C15 | C12 | C16 | 105.2° | 120.0° |
| C12 | C16 | H19A | H19B | 119.3° | 120.0° |
| C12 | C16 | H19A | C17 | 121.4° | 120.0° |
| C12 | C16 | H19B | C17 | 121.4° | 119.9° |
| C12 | C16 | C17 | H30 | 20.9° | 60.0° |
| C12 | C16 | C17 | H30A | 99.1° | 60.0° |
| C12 | C16 | C17 | C18 | 140.9° | 179.9° |
| H19A | C16 | H19B | C17 | 119.3° | 120.1° |
| H19A | C16 | C17 | H30 | 140.8° | NaN° |
| H19A | C16 | C17 | H30A | 20.9° | 60.0° |
| H19A | C16 | C17 | C18 | 99.2° | 60.1° |
| H19B | C16 | C17 | H30 | 99.1° | 59.9° |
| H19B | C16 | C17 | H30A | 140.9° | 179.9° |
| H19B | C16 | C17 | C18 | 20.9° | 60.0° |
| C16 | C17 | H30 | H30A | 118.7° | 120.1° |
| C16 | C17 | H30 | C18 | 122.6° | 119.9° |
| C16 | C17 | H30A | C18 | 122.6° | 120.0° |
| C16 | C17 | C18 | H31 | 9.9° | 60.1° |
| C16 | C17 | C18 | H31A | 110.1° | 60.0° |
| C16 | C17 | C18 | C19 | 129.9° | 180.0° |
| H30 | C17 | H30A | C18 | 118.7° | 120.0° |
| H30 | C17 | C18 | H31 | 129.9° | 180.0° |
| H30 | C17 | C18 | H31A | 9.9° | 60.0° |
| H30 | C17 | C18 | C19 | 110.1° | 60.1° |
| H30A | C17 | C18 | H31 | 110.1° | 60.0° |
| H30A | C17 | C18 | H31A | 129.9° | 180.0° |
| H30A | C17 | C18 | C19 | 9.9° | 59.9° |
| C17 | C18 | H31 | H31A | 119.0° | 120.1° |
| C17 | C18 | H31 | C19 | 121.9° | 119.9° |
| C17 | C18 | H31A | C19 | 121.9° | 120.1° |
| C17 | C18 | C19 | H32 | 175.6° | 59.9° |
| C17 | C18 | C19 | H32A | 55.6° | 60.0° |
| H31 | C18 | H31A | C19 | 119.0° | 119.9° |
| H31 | C18 | C19 | H32 | 55.6° | 60.0° |
| H31 | C18 | C19 | H32A | 64.4° | 179.9° |
| H31A | C18 | C19 | H32 | 64.4° | 180.0° |
| H31A | C18 | C19 | H32A | 175.6° | 60.1° |
| C18 | C19 | H32 | H32A | 119.9° | 119.9° |
| C18 | C19 | N2 | C20 | 169.6° | 75.0° |
| H32 | C19 | N2 | C20 | 70.4° | 165.0° |
| H32A | C19 | N2 | C20 | 49.6° | 45.0° |
| N2 | C20 | C21 | H33 | 179.9° | 180.0° |
| N2 | C20 | C21 | H33A | 59.9° | 60.0° |
| N2 | C20 | C21 | H37 | 60.1° | 60.0° |
| C20 | C21 | H33 | H33A | 120.0° | 120.0° |
| C20 | C21 | H33 | H37 | 120.0° | 120.1° |
| C20 | C21 | H33A | H37 | 120.0° | 120.0° |
| H33 | C21 | H33A | H37 | 120.0° | 120.0° |
| H311 | C22 | H321 | H331 | 120.0° | 120.0° |
| N3 | C23 | H34 | H35 | 115.7° | 120.0° |
| C23 | N3 | C24 | O9 | 180.0° | 180.0° |
| C23 | N3 | C24 | O10 | 111.2° | 0.0° |
| C23 | N3 | C24 | C25 | 128.8° | 180.0° |
| C23 | N3 | O9 | H36 | 180.0° | 180.0° |
| H34 | C23 | N3 | C24 | 149.9° | 45.0° |
| H34 | C23 | N3 | O9 | 30.0° | 135.0° |
| H35 | C23 | N3 | C24 | 30.0° | 165.0° |
| H35 | C23 | N3 | O9 | 150.0° | 15.0° |
| N3 | C24 | O10 | C25 | 120.0° | 180.0° |
| C24 | N3 | O9 | H36 | 0.0° | 0.0° |
| N3 | C24 | C25 | H371 | 120.0° | 90.0° |
| N3 | C24 | C25 | H38 | 120.0° | 150.0° |
| N3 | C24 | C25 | H39 | 0.1° | 30.0° |
| O9 | N3 | C24 | O10 | 68.8° | 180.0° |
| O9 | N3 | C24 | C25 | 51.2° | 0.0° |
| O10 | C24 | C25 | H371 | 0.0° | 89.9° |
| O10 | C24 | C25 | H38 | 120.0° | 30.0° |
| O10 | C24 | C25 | H39 | 120.0° | 150.0° |
| C24 | C25 | H371 | H38 | 120.0° | 120.0° |
| C24 | C25 | H371 | H39 | 120.0° | 120.0° |
| C24 | C25 | H38 | H39 | 120.0° | 120.0° |
| H371 | C25 | H38 | H39 | 120.0° | 120.0° |
