S3W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N3 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O18 | C18 | sing | 1.43Å | 1.44Å | |
| O18 | C14 | sing | 1.43Å | 1.41Å | |
| N3 | N4 | sing | 1.29Å | 1.35Å | Aromatic |
| N3 | C13 | sing | 1.35Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | O17 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| N4 | N5 | doub | 1.29Å | 1.31Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | O15 | sing | 1.43Å | 1.42Å | |
| C14 | O14 | sing | 1.43Å | 1.40Å | |
| O16 | C16 | sing | 1.43Å | 1.42Å | |
| N5 | C12 | sing | 1.34Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | N2 | sing | 1.47Å | 1.45Å | |
| O14 | C20 | sing | 1.43Å | 1.42Å | |
| N2 | C10 | sing | 1.35Å | 1.33Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| O7 | C7 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N1 | C1 | sing | 1.46Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C17 | HC17 | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.09Å | 1.10Å | |
| C18 | HC18 | sing | 1.09Å | 1.10Å | |
| C14 | HC14 | sing | 1.09Å | 1.10Å | |
| C15 | HC15 | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C20 | H20C | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C4 | HC4 | sing | 1.09Å | 1.10Å | |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| C5 | HC5 | sing | 1.09Å | 1.10Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| C6 | HC6B | sing | 1.09Å | 1.10Å | |
| C6 | HC6A | sing | 1.09Å | 1.10Å | |
| C8 | HC8B | sing | 1.09Å | 1.10Å | |
| C8 | HC8A | sing | 1.09Å | 1.10Å | |
| C9 | HC9B | sing | 1.09Å | 1.10Å | |
| C9 | HC9A | sing | 1.09Å | 1.10Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C19 | C18 | 110.9° | 109.5° |
| C19 | N3 | N4 | 121.2° | 125.9° |
| C19 | N3 | C13 | 128.0° | 125.9° |
| N3 | C19 | H19A | 109.1° | 109.5° |
| N3 | C19 | H19B | 109.1° | 109.5° |
| C19 | C18 | O18 | 106.4° | 109.5° |
| C19 | C18 | C17 | 111.9° | 109.5° |
| C19 | C18 | HC18 | 109.3° | 109.5° |
| C18 | C19 | H19A | 109.1° | 109.4° |
| C18 | C19 | H19B | 109.1° | 109.5° |
| C18 | O18 | C14 | 113.2° | 114.1° |
| O18 | C18 | C17 | 109.6° | 109.4° |
| O18 | C18 | HC18 | 110.4° | 109.5° |
| O18 | C14 | C15 | 110.3° | 109.4° |
| O18 | C14 | O14 | 111.0° | 109.5° |
| O18 | C14 | HC14 | 109.5° | 109.5° |
| N4 | N3 | C13 | 110.7° | 108.2° |
| N3 | N4 | N5 | 106.9° | 110.2° |
| N3 | C13 | C12 | 105.5° | 106.2° |
| N3 | C13 | HC13 | 127.3° | 126.9° |
| C18 | C17 | O17 | 109.0° | 109.6° |
| C18 | C17 | C16 | 110.3° | 109.2° |
| C18 | C17 | HC17 | 108.8° | 109.5° |
| C17 | C18 | HC18 | 109.2° | 109.5° |
| O17 | C17 | C16 | 109.9° | 109.5° |
| O17 | C17 | HC17 | 110.2° | 109.5° |
| C17 | O17 | HO17 | 109.5° | 114.1° |
| C17 | C16 | C15 | 110.9° | 109.0° |
| C17 | C16 | O16 | 109.9° | 109.6° |
| C16 | C17 | HC17 | 108.7° | 109.6° |
| C17 | C16 | HC16 | 108.3° | 109.5° |
| N4 | N5 | C12 | 109.0° | 108.9° |
| C13 | C12 | N5 | 107.9° | 106.5° |
| C13 | C12 | C11 | 130.3° | 126.8° |
| C12 | C13 | HC13 | 127.3° | 126.9° |
| C14 | C15 | C16 | 110.2° | 109.2° |
| C14 | C15 | O15 | 109.9° | 109.5° |
| C15 | C14 | O14 | 108.0° | 109.5° |
| C15 | C14 | HC14 | 108.1° | 109.5° |
| C14 | C15 | HC15 | 108.4° | 109.5° |
| C16 | C15 | O15 | 110.1° | 109.5° |
| C15 | C16 | O16 | 109.8° | 109.6° |
| C15 | C16 | HC16 | 108.3° | 109.5° |
| C16 | C15 | HC15 | 108.4° | 109.5° |
| O15 | C15 | HC15 | 109.8° | 109.5° |
| C15 | O15 | HO15 | 109.5° | 114.0° |
| C14 | O14 | C20 | 113.1° | 114.0° |
| O14 | C14 | HC14 | 109.8° | 109.5° |
| O16 | C16 | HC16 | 109.6° | 109.6° |
| C16 | O16 | HO16 | 109.5° | 114.0° |
| N5 | C12 | C11 | 121.7° | 126.8° |
| C12 | C11 | N2 | 107.4° | 109.5° |
| C12 | C11 | H11A | 110.0° | 109.5° |
| C12 | C11 | H11B | 110.0° | 109.5° |
| C11 | N2 | C10 | 122.6° | 120.1° |
| C11 | N2 | HN2 | 118.7° | 120.0° |
| N2 | C11 | H11A | 110.0° | 109.4° |
| N2 | C11 | H11B | 110.0° | 109.4° |
| O14 | C20 | H20B | 109.5° | 109.5° |
| O14 | C20 | H20C | 109.5° | 109.5° |
| O14 | C20 | H20A | 109.5° | 109.5° |
| N2 | C10 | O10 | 123.0° | 119.9° |
| N2 | C10 | C9 | 115.5° | 120.0° |
| C10 | N2 | HN2 | 118.7° | 120.0° |
| O10 | C10 | C9 | 121.4° | 120.0° |
| C10 | C9 | C8 | 113.1° | 109.5° |
| C10 | C9 | HC9B | 108.5° | 109.5° |
| C10 | C9 | HC9A | 108.6° | 109.5° |
| O6 | C6 | C5 | 111.0° | 109.5° |
| O6 | C6 | HC6B | 109.1° | 109.5° |
| O6 | C6 | HC6A | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C9 | C8 | C7 | 113.2° | 109.5° |
| C9 | C8 | HC8B | 108.5° | 109.5° |
| C9 | C8 | HC8A | 108.5° | 109.5° |
| C8 | C9 | HC9B | 108.6° | 109.5° |
| C8 | C9 | HC9A | 108.6° | 109.5° |
| C6 | C5 | O5 | 110.3° | 109.5° |
| C6 | C5 | C4 | 120.8° | 109.5° |
| C6 | C5 | HC5 | 103.2° | 109.5° |
| C5 | C6 | HC6B | 109.1° | 109.5° |
| C5 | C6 | HC6A | 109.1° | 109.5° |
| O7 | C7 | C8 | 121.7° | 120.0° |
| O7 | C7 | N1 | 122.6° | 120.0° |
| C8 | C7 | N1 | 115.7° | 120.0° |
| C7 | C8 | HC8B | 108.5° | 109.5° |
| C7 | C8 | HC8A | 108.5° | 109.4° |
| C5 | O5 | C1 | 112.7° | 114.1° |
| O5 | C5 | C4 | 113.4° | 109.4° |
| O5 | C5 | HC5 | 103.8° | 109.4° |
| O5 | C1 | N1 | 108.7° | 109.5° |
| O5 | C1 | C2 | 109.5° | 109.4° |
| O5 | C1 | HC1 | 109.5° | 109.4° |
| C7 | N1 | C1 | 123.5° | 120.0° |
| C7 | N1 | HN1 | 118.3° | 120.0° |
| C5 | C4 | O4 | 111.5° | 109.5° |
| C5 | C4 | C3 | 109.6° | 109.2° |
| C5 | C4 | HC4 | 108.0° | 109.6° |
| C4 | C5 | HC5 | 103.0° | 109.5° |
| N1 | C1 | C2 | 111.3° | 109.5° |
| C1 | N1 | HN1 | 118.2° | 120.0° |
| N1 | C1 | HC1 | 109.6° | 109.5° |
| C1 | C2 | C3 | 109.6° | 109.2° |
| C1 | C2 | O2 | 109.4° | 109.6° |
| C2 | C1 | HC1 | 108.3° | 109.5° |
| C1 | C2 | HC2 | 108.7° | 109.5° |
| O4 | C4 | C3 | 110.2° | 109.5° |
| O4 | C4 | HC4 | 109.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.8° | 109.0° |
| C4 | C3 | O3 | 111.2° | 109.5° |
| C3 | C4 | HC4 | 108.1° | 109.5° |
| C4 | C3 | HC3 | 107.6° | 109.5° |
| C3 | C2 | O2 | 110.1° | 109.5° |
| C2 | C3 | O3 | 110.6° | 109.6° |
| C2 | C3 | HC3 | 107.6° | 109.6° |
| C3 | C2 | HC2 | 108.7° | 109.5° |
| O2 | C2 | HC2 | 110.2° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O3 | C3 | HC3 | 108.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| H20B | C20 | H20C | 109.5° | 109.4° |
| H20B | C20 | H20A | 109.5° | 109.4° |
| H20C | C20 | H20A | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| HC6B | C6 | HC6A | 109.5° | 109.4° |
| HC8B | C8 | HC8A | 109.5° | 109.5° |
| HC9B | C9 | HC9A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C19 | C18 | H19A | 120.2° | 120.0° |
| N3 | C19 | C18 | H19B | 120.2° | 120.1° |
| N3 | C19 | C18 | O18 | 115.9° | 65.0° |
| C19 | N3 | N4 | C13 | 177.3° | 179.9° |
| N3 | C19 | C18 | C17 | 124.4° | 175.0° |
| C19 | N3 | N4 | N5 | 177.2° | 179.9° |
| C19 | N3 | C13 | C12 | 176.2° | 179.9° |
| N3 | C19 | C18 | HC18 | 3.3° | 55.0° |
| C19 | N3 | C13 | HC13 | 3.8° | 0.1° |
| N3 | C19 | H19A | H19B | 119.3° | 120.0° |
| C19 | C18 | O18 | C17 | 121.2° | 120.0° |
| C19 | C18 | O18 | HC18 | 118.5° | 120.1° |
| C19 | C18 | O18 | C14 | 176.8° | 178.9° |
| C18 | C19 | N3 | N4 | 107.6° | 54.9° |
| C18 | C19 | N3 | C13 | 75.6° | 125.0° |
| C19 | C18 | C17 | HC18 | 121.1° | 120.1° |
| C19 | C18 | C17 | O17 | 65.7° | 62.5° |
| C19 | C18 | C17 | C16 | 173.6° | 177.6° |
| C19 | C18 | C17 | HC17 | 54.5° | 57.7° |
| C18 | C19 | H19A | H19B | 119.3° | 120.0° |
| O18 | C18 | C17 | HC18 | 121.0° | 119.9° |
| O18 | C18 | C17 | O17 | 176.5° | 177.5° |
| O18 | C18 | C17 | C16 | 55.8° | 57.6° |
| C18 | O18 | C14 | C15 | 62.0° | 61.1° |
| C18 | O18 | C14 | O14 | 57.7° | 58.8° |
| O18 | C18 | C17 | HC17 | 63.4° | 62.3° |
| C18 | O18 | C14 | HC14 | 179.1° | 178.8° |
| O18 | C18 | C19 | H19A | 4.3° | 54.9° |
| O18 | C18 | C19 | H19B | 123.9° | 174.9° |
| C14 | O18 | C18 | C17 | 62.0° | 61.2° |
| O18 | C14 | C15 | O14 | 121.5° | 119.9° |
| O18 | C14 | C15 | HC14 | 119.7° | 120.0° |
| O18 | C14 | C15 | C16 | 55.7° | 57.6° |
| O18 | C14 | C15 | O15 | 177.1° | 177.5° |
| O18 | C14 | O14 | HC14 | 121.3° | 120.1° |
| O18 | C14 | O14 | C20 | 72.9° | 70.0° |
| C14 | O18 | C18 | HC18 | 58.3° | 58.8° |
| O18 | C14 | C15 | HC15 | 62.9° | 62.3° |
| N4 | N3 | C13 | C12 | 1.0° | 0.0° |
| N3 | N4 | N5 | C12 | 0.8° | 0.0° |
| N4 | N3 | C13 | HC13 | 179.1° | 180.0° |
| N4 | N3 | C19 | H19A | 132.2° | 65.0° |
| N4 | N3 | C19 | H19B | 12.6° | 175.0° |
| C13 | N3 | N4 | N5 | 0.1° | 0.0° |
| N3 | C13 | C12 | HC13 | 180.0° | 180.0° |
| N3 | C13 | C12 | N5 | 1.4° | 0.1° |
| N3 | C13 | C12 | C11 | 174.4° | 180.0° |
| C13 | N3 | C19 | H19A | 44.7° | 115.1° |
| C13 | N3 | C19 | H19B | 164.2° | 4.9° |
| C18 | C17 | O17 | C16 | 120.9° | 119.7° |
| C18 | C17 | O17 | HC17 | 119.3° | 120.1° |
| C18 | C17 | C16 | HC17 | 119.2° | 119.9° |
| C18 | C17 | C16 | C15 | 52.2° | 57.0° |
| C18 | C17 | C16 | O16 | 173.8° | 176.9° |
| C18 | C17 | C16 | HC16 | 66.4° | 62.8° |
| C17 | C18 | C19 | H19A | 115.4° | 65.0° |
| C17 | C18 | C19 | H19B | 4.1° | 55.0° |
| C18 | C17 | O17 | HO17 | 180.0° | 180.0° |
| O17 | C17 | C16 | HC17 | 120.6° | 120.1° |
| O17 | C17 | C16 | C15 | 172.4° | 176.9° |
| O17 | C17 | C16 | O16 | 66.0° | 63.1° |
| O17 | C17 | C16 | HC16 | 53.8° | 57.1° |
| O17 | C17 | C18 | HC18 | 55.4° | 57.6° |
| C17 | C16 | C15 | C14 | 51.8° | 57.0° |
| C17 | C16 | C15 | O16 | 121.6° | 119.9° |
| C17 | C16 | C15 | HC16 | 118.7° | 119.8° |
| C17 | C16 | C15 | O15 | 173.2° | 176.9° |
| C17 | C16 | O16 | HC16 | 118.9° | 120.2° |
| C16 | C17 | C18 | HC18 | 65.3° | 62.3° |
| C17 | C16 | C15 | HC15 | 66.8° | 63.0° |
| C17 | C16 | O16 | HO16 | 180.0° | 180.0° |
| C16 | C17 | O17 | HO17 | 59.1° | 60.2° |
| N4 | N5 | C12 | C13 | 1.4° | 0.0° |
| N4 | N5 | C12 | C11 | 174.9° | 180.0° |
| C13 | C12 | N5 | C11 | 176.3° | 180.0° |
| C13 | C12 | C11 | N2 | 58.9° | 95.0° |
| C13 | C12 | C11 | H11A | 178.5° | 25.0° |
| C13 | C12 | C11 | H11B | 60.8° | 145.0° |
| C14 | C15 | C16 | O15 | 121.4° | 119.9° |
| C14 | C15 | C16 | HC15 | 118.6° | 120.0° |
| C14 | C15 | O15 | HC15 | 119.2° | 120.2° |
| C15 | C14 | O14 | HC14 | 117.6° | 120.0° |
| C14 | C15 | C16 | O16 | 173.4° | 176.9° |
| C15 | C14 | O14 | C20 | 166.0° | 170.0° |
| C14 | C15 | C16 | HC16 | 66.9° | 62.9° |
| C14 | C15 | O15 | HO15 | 180.0° | 60.0° |
| C16 | C15 | O15 | HC15 | 119.3° | 120.1° |
| C16 | C15 | C14 | O14 | 65.9° | 62.4° |
| C15 | C16 | O16 | HC16 | 118.9° | 120.2° |
| C15 | C16 | C17 | HC17 | 66.9° | 63.0° |
| C16 | C15 | C14 | HC14 | 175.4° | 177.6° |
| C16 | C15 | O15 | HO15 | 58.4° | 179.8° |
| C15 | C16 | O16 | HO16 | 57.8° | 60.4° |
| O15 | C15 | C14 | O14 | 55.6° | 57.6° |
| O15 | C15 | C16 | O16 | 65.2° | 63.2° |
| O15 | C15 | C16 | HC16 | 54.5° | 57.1° |
| O15 | C15 | C14 | HC14 | 63.2° | 62.5° |
| O14 | C14 | C15 | HC15 | 175.6° | 177.7° |
| C14 | O14 | C20 | H20B | 180.0° | 60.0° |
| C14 | O14 | C20 | H20C | 60.0° | 180.0° |
| C14 | O14 | C20 | H20A | 60.0° | 60.0° |
| O16 | C16 | C17 | HC17 | 54.7° | 57.0° |
| O16 | C16 | C15 | HC15 | 54.9° | 56.9° |
| N5 | C12 | C11 | N2 | 125.8° | 85.0° |
| N5 | C12 | C11 | H11A | 6.1° | 155.0° |
| N5 | C12 | C11 | H11B | 114.5° | 35.0° |
| N5 | C12 | C13 | HC13 | 178.6° | 180.0° |
| C12 | C11 | N2 | H11A | 119.7° | 120.1° |
| C12 | C11 | N2 | H11B | 119.7° | 120.0° |
| C12 | C11 | N2 | C10 | 106.1° | 180.0° |
| C12 | C11 | N2 | HN2 | 73.9° | 0.0° |
| C12 | C11 | H11A | H11B | 121.0° | 120.0° |
| C11 | C12 | C13 | HC13 | 5.5° | 0.0° |
| C11 | N2 | C10 | HN2 | 180.0° | 180.0° |
| C11 | N2 | C10 | O10 | 2.9° | 0.0° |
| C11 | N2 | C10 | C9 | 175.7° | 180.0° |
| N2 | C11 | H11A | H11B | 121.0° | 119.9° |
| C20 | O14 | C14 | HC14 | 48.4° | 50.0° |
| O14 | C20 | H20B | H20C | 120.0° | 120.0° |
| O14 | C20 | H20B | H20A | 120.0° | 120.0° |
| O14 | C20 | H20C | H20A | 120.0° | 120.0° |
| N2 | C10 | O10 | C9 | 178.5° | 180.0° |
| N2 | C10 | C9 | C8 | 160.0° | 180.0° |
| C10 | N2 | C11 | H11A | 13.6° | 60.0° |
| C10 | N2 | C11 | H11B | 134.2° | 60.0° |
| N2 | C10 | C9 | HC9B | 39.4° | 60.0° |
| N2 | C10 | C9 | HC9A | 79.5° | 60.0° |
| O10 | C10 | C9 | C8 | 21.4° | 0.1° |
| O10 | C10 | N2 | HN2 | 177.1° | 180.0° |
| O10 | C10 | C9 | HC9B | 142.0° | 120.0° |
| O10 | C10 | C9 | HC9A | 99.1° | 120.1° |
| C10 | C9 | C8 | HC9B | 120.5° | 120.0° |
| C10 | C9 | C8 | HC9A | 120.5° | 120.0° |
| C10 | C9 | C8 | C7 | 77.8° | 180.0° |
| C9 | C10 | N2 | HN2 | 4.3° | 0.0° |
| C10 | C9 | C8 | HC8B | 161.6° | 60.0° |
| C10 | C9 | C8 | HC8A | 42.7° | 60.1° |
| C10 | C9 | HC9B | HC9A | 118.3° | 120.0° |
| O6 | C6 | C5 | HC6B | 120.2° | 120.1° |
| O6 | C6 | C5 | HC6A | 120.2° | 120.0° |
| O6 | C6 | C5 | O5 | 75.2° | 65.0° |
| O6 | C6 | C5 | C4 | 149.3° | 175.0° |
| O6 | C6 | C5 | HC5 | 35.2° | 55.0° |
| O6 | C6 | HC6B | HC6A | 119.3° | 120.0° |
| C9 | C8 | C7 | O7 | 37.9° | 0.1° |
| C9 | C8 | C7 | HC8B | 120.6° | 120.0° |
| C9 | C8 | C7 | HC8A | 120.5° | 120.0° |
| C9 | C8 | C7 | N1 | 143.9° | 180.0° |
| C9 | C8 | HC8B | HC8A | 118.3° | 120.0° |
| C8 | C9 | HC9B | HC9A | 118.4° | 120.0° |
| C6 | C5 | O5 | C4 | 139.0° | 120.0° |
| C6 | C5 | O5 | HC5 | 109.9° | 120.0° |
| C6 | C5 | O5 | C1 | 163.9° | 178.8° |
| C6 | C5 | C4 | HC5 | 114.2° | 120.0° |
| C6 | C5 | C4 | O4 | 63.5° | 57.7° |
| C6 | C5 | C4 | C3 | 174.2° | 177.6° |
| C6 | C5 | C4 | HC4 | 56.7° | 62.4° |
| C5 | C6 | HC6B | HC6A | 119.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O7 | C7 | C8 | N1 | 178.2° | 179.9° |
| O7 | C7 | N1 | C1 | 0.3° | 0.1° |
| O7 | C7 | N1 | HN1 | 179.7° | 180.0° |
| O7 | C7 | C8 | HC8B | 82.6° | 119.9° |
| O7 | C7 | C8 | HC8A | 158.5° | 120.1° |
| C8 | C7 | N1 | C1 | 177.9° | 180.0° |
| C8 | C7 | N1 | HN1 | 2.1° | 0.1° |
| C7 | C8 | HC8B | HC8A | 118.3° | 120.0° |
| C7 | C8 | C9 | HC9B | 42.7° | 59.9° |
| C7 | C8 | C9 | HC9A | 161.6° | 60.0° |
| O5 | C5 | C4 | HC5 | 111.6° | 119.9° |
| C5 | O5 | C1 | N1 | 178.1° | 178.8° |
| C5 | O5 | C1 | C2 | 60.1° | 61.1° |
| O5 | C5 | C4 | O4 | 70.8° | 62.3° |
| O5 | C5 | C4 | C3 | 51.5° | 57.6° |
| O5 | C5 | C4 | HC4 | 169.1° | 177.5° |
| C5 | O5 | C1 | HC1 | 58.5° | 58.8° |
| O5 | C5 | C6 | HC6B | 45.0° | 174.9° |
| O5 | C5 | C6 | HC6A | 164.6° | 55.0° |
| O5 | C1 | N1 | C7 | 88.0° | 95.1° |
| C1 | O5 | C5 | C4 | 57.1° | 61.1° |
| O5 | C1 | N1 | C2 | 120.7° | 120.0° |
| O5 | C1 | N1 | HC1 | 119.6° | 120.0° |
| O5 | C1 | C2 | HC1 | 119.4° | 119.9° |
| O5 | C1 | C2 | C3 | 59.7° | 57.6° |
| O5 | C1 | C2 | O2 | 179.4° | 177.5° |
| O5 | C1 | N1 | HN1 | 92.0° | 85.0° |
| C1 | O5 | C5 | HC5 | 54.0° | 58.8° |
| O5 | C1 | C2 | HC2 | 59.0° | 62.3° |
| C7 | N1 | C1 | HN1 | 180.0° | 180.0° |
| C7 | N1 | C1 | C2 | 151.3° | 145.0° |
| C7 | N1 | C1 | HC1 | 31.6° | 24.9° |
| N1 | C7 | C8 | HC8B | 95.6° | 60.0° |
| N1 | C7 | C8 | HC8A | 23.3° | 60.1° |
| C5 | C4 | O4 | C3 | 122.0° | 119.7° |
| C5 | C4 | O4 | HC4 | 119.4° | 120.2° |
| C5 | C4 | C3 | HC4 | 117.5° | 120.0° |
| C5 | C4 | C3 | C2 | 51.5° | 57.0° |
| C5 | C4 | C3 | O3 | 175.0° | 176.8° |
| C5 | C4 | C3 | HC3 | 65.8° | 63.0° |
| C4 | C5 | C6 | HC6B | 90.5° | 54.9° |
| C4 | C5 | C6 | HC6A | 29.1° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| N1 | C1 | C2 | HC1 | 120.5° | 120.0° |
| N1 | C1 | C2 | C3 | 179.9° | 177.6° |
| N1 | C1 | C2 | O2 | 59.2° | 62.5° |
| N1 | C1 | C2 | HC2 | 61.1° | 57.7° |
| C1 | C2 | C3 | C4 | 56.5° | 57.0° |
| C1 | C2 | C3 | O2 | 120.5° | 119.9° |
| C1 | C2 | C3 | HC2 | 118.7° | 119.8° |
| C1 | C2 | O2 | HC2 | 119.5° | 120.2° |
| C1 | C2 | C3 | O3 | 179.7° | 176.8° |
| C2 | C1 | N1 | HN1 | 28.7° | 35.0° |
| C1 | C2 | C3 | HC3 | 60.8° | 63.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| O4 | C4 | C3 | HC4 | 119.4° | 120.1° |
| O4 | C4 | C3 | C2 | 71.6° | 62.9° |
| O4 | C4 | C3 | O3 | 51.8° | 57.0° |
| O4 | C4 | C3 | HC3 | 171.0° | 177.1° |
| O4 | C4 | C5 | HC5 | 177.6° | 177.8° |
| C4 | C3 | C2 | O3 | 123.8° | 119.9° |
| C4 | C3 | C2 | HC3 | 117.3° | 119.9° |
| C4 | C3 | C2 | O2 | 177.0° | 176.9° |
| C4 | C3 | O3 | HC3 | 118.4° | 120.2° |
| C3 | C4 | C5 | HC5 | 60.0° | 62.4° |
| C4 | C3 | C2 | HC2 | 62.3° | 62.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C3 | C4 | O4 | HO4 | 58.0° | 60.0° |
| C3 | C2 | O2 | HC2 | 119.9° | 120.1° |
| C2 | C3 | O3 | HC3 | 118.1° | 120.3° |
| C2 | C3 | C4 | HC4 | 169.0° | 176.9° |
| C3 | C2 | C1 | HC1 | 59.7° | 62.4° |
| C3 | C2 | O2 | HO2 | 59.4° | 179.7° |
| C2 | C3 | O3 | HO3 | 56.5° | 60.4° |
| O2 | C2 | C3 | O3 | 59.2° | 63.2° |
| O2 | C2 | C3 | HC3 | 59.6° | 57.0° |
| O2 | C2 | C1 | HC1 | 61.2° | 57.5° |
| O3 | C3 | C4 | HC4 | 67.6° | 63.2° |
| O3 | C3 | C2 | HC2 | 61.6° | 57.0° |
| HN1 | N1 | C1 | HC1 | 148.4° | 155.0° |
| HN2 | N2 | C11 | H11A | 166.4° | 120.0° |
| HN2 | N2 | C11 | H11B | 45.8° | 120.1° |
| HC17 | C17 | C16 | HC16 | 174.4° | 177.2° |
| HC17 | C17 | C18 | HC18 | 175.6° | 177.7° |
| HC17 | C17 | O17 | HO17 | 60.7° | 59.9° |
| HC16 | C16 | C15 | HC15 | 174.6° | 177.2° |
| HC16 | C16 | O16 | HO16 | 61.1° | 59.8° |
| HC18 | C18 | C19 | H19A | 123.5° | 175.0° |
| HC18 | C18 | C19 | H19B | 116.9° | 65.0° |
| HC14 | C14 | C15 | HC15 | 56.8° | 57.7° |
| HC15 | C15 | O15 | HO15 | 60.8° | 60.1° |
| H20B | C20 | H20C | H20A | 120.0° | 119.9° |
| HC4 | C4 | C3 | HC3 | 51.6° | 57.0° |
| HC4 | C4 | C5 | HC5 | 57.5° | 57.6° |
| HC4 | C4 | O4 | HO4 | 60.6° | 60.1° |
| HC3 | C3 | C2 | HC2 | 179.6° | 177.2° |
| HC3 | C3 | O3 | HO3 | 61.6° | 59.8° |
| HC5 | C5 | C6 | HC6B | 155.4° | 65.1° |
| HC5 | C5 | C6 | HC6A | 85.0° | 175.0° |
| HC1 | C1 | C2 | HC2 | 178.4° | 177.8° |
| HC2 | C2 | O2 | HO2 | 60.5° | 60.2° |
| HC6B | C6 | O6 | HO6 | 59.8° | 59.9° |
| HC6A | C6 | O6 | HO6 | 59.8° | 60.0° |
| HC8B | C8 | C9 | HC9B | 77.9° | 180.0° |
| HC8B | C8 | C9 | HC9A | 41.0° | 60.0° |
| HC8A | C8 | C9 | HC9B | 163.2° | 60.0° |
| HC8A | C8 | C9 | HC9A | 77.8° | 180.0° |
