H73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C19 | sing | 1.37Å | 1.37Å | |
| C19 | N10 | sing | 1.36Å | 1.38Å | |
| C19 | N8 | doub | 1.32Å | 1.34Å | |
| N10 | C20 | sing | 1.35Å | 1.43Å | |
| N8 | C25 | sing | 1.33Å | 1.38Å | |
| C20 | O5 | doub | 1.22Å | 1.21Å | |
| C20 | C26 | sing | 1.42Å | 1.44Å | |
| C25 | C26 | doub | 1.41Å | 1.38Å | |
| C25 | N12 | sing | 1.38Å | 1.37Å | |
| C26 | N11 | sing | 1.34Å | 1.39Å | |
| N12 | C22 | sing | 1.47Å | 1.47Å | |
| C24 | C22 | sing | 1.53Å | 1.46Å | |
| N11 | C21 | doub | 1.30Å | 1.30Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C18 | sing | 1.46Å | 1.50Å | |
| O01 | C01 | doub | 1.21Å | 1.27Å | |
| N3 | C7 | sing | 1.38Å | 1.38Å | |
| C18 | N28 | sing | 1.35Å | 1.35Å | |
| C18 | O4 | doub | 1.22Å | 1.24Å | |
| C01 | O03 | sing | 1.34Å | 1.23Å | |
| C01 | C13 | sing | 1.51Å | 1.53Å | |
| C16 | C27 | sing | 1.53Å | 1.57Å | |
| C16 | N6 | sing | 1.47Å | 1.37Å | |
| N28 | C27 | sing | 1.47Å | 1.43Å | |
| C7 | N4 | doub | 1.33Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| N6 | C13 | sing | 1.47Å | 1.50Å | |
| N6 | C14 | sing | 1.47Å | 1.39Å | |
| N4 | C8 | sing | 1.32Å | 1.36Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.40Å | Aromatic |
| N2 | C5 | doub | 1.30Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C6 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.48Å | |
| C8 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | N1 | sing | 1.36Å | 1.42Å | Aromatic |
| C9 | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | S1 | sing | 1.81Å | 1.88Å | |
| N1 | C4 | sing | 1.47Å | 1.44Å | |
| O1 | C4 | sing | 1.44Å | 1.42Å | |
| O1 | C1 | sing | 1.44Å | 1.38Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| S1 | C10 | sing | 1.81Å | 1.85Å | |
| C10 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.54Å | 1.56Å | |
| C3 | C2 | sing | 1.54Å | 1.60Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C2 | O2 | sing | 1.43Å | 1.37Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H02 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| N9 | HN9A | sing | 0.97Å | 1.00Å | |
| O03 | H7 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | C19 | N10 | 115.9° | 119.0° |
| N9 | C19 | N8 | 118.6° | 119.0° |
| C19 | N9 | HN9 | 120.0° | 120.0° |
| C19 | N9 | HN9A | 120.0° | 120.1° |
| N10 | C19 | N8 | 125.5° | 122.0° |
| C19 | N10 | C20 | 121.6° | 120.5° |
| C19 | N10 | HN10 | 119.2° | 119.7° |
| C19 | N8 | C25 | 113.9° | 121.0° |
| N10 | C20 | O5 | 116.1° | 120.9° |
| N10 | C20 | C26 | 113.3° | 118.2° |
| C20 | N10 | HN10 | 119.2° | 119.8° |
| N8 | C25 | C26 | 125.6° | 119.9° |
| N8 | C25 | N12 | 115.0° | 121.6° |
| O5 | C20 | C26 | 130.6° | 120.9° |
| C20 | C26 | C25 | 120.2° | 118.3° |
| C20 | C26 | N11 | 115.3° | 121.5° |
| C26 | C25 | N12 | 119.5° | 118.5° |
| C25 | C26 | N11 | 124.4° | 120.2° |
| C25 | N12 | C22 | 120.2° | 117.3° |
| C25 | N12 | HN12 | 106.7° | 121.4° |
| C26 | N11 | C21 | 117.1° | 121.9° |
| N12 | C22 | C24 | 103.9° | 109.6° |
| N12 | C22 | C21 | 113.4° | 108.9° |
| N12 | C22 | C23 | 105.6° | 109.5° |
| C22 | N12 | HN12 | 106.7° | 121.3° |
| C24 | C22 | C21 | 111.9° | 109.6° |
| C24 | C22 | C23 | 107.2° | 109.5° |
| C22 | C24 | H24A | 109.5° | 109.5° |
| C22 | C24 | H24B | 109.5° | 109.5° |
| C22 | C24 | H24 | 109.5° | 109.5° |
| N11 | C21 | C22 | 124.2° | 121.3° |
| N11 | C21 | C18 | 114.0° | 119.4° |
| C21 | C22 | C23 | 114.1° | 109.6° |
| C22 | C21 | C18 | 120.1° | 119.4° |
| C22 | C23 | H23B | 109.5° | 109.4° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C21 | C18 | N28 | 119.2° | 120.0° |
| C21 | C18 | O4 | 119.2° | 120.0° |
| O01 | C01 | O03 | 127.1° | 120.0° |
| O01 | C01 | C13 | 114.7° | 120.0° |
| N3 | C7 | N4 | 116.4° | 120.7° |
| N3 | C7 | C6 | 122.8° | 120.8° |
| C7 | N3 | HN3A | 109.5° | 120.0° |
| C7 | N3 | HN3 | 109.4° | 120.0° |
| N28 | C18 | O4 | 121.6° | 120.0° |
| C18 | N28 | C27 | 120.1° | 120.0° |
| C18 | N28 | HN28 | 119.9° | 120.1° |
| O03 | C01 | C13 | 118.2° | 120.0° |
| C01 | O03 | H7 | 109.5° | 117.0° |
| C01 | C13 | N6 | 110.8° | 109.4° |
| C01 | C13 | C12 | 104.4° | 109.5° |
| C01 | C13 | H02 | 110.3° | 109.5° |
| C27 | C16 | N6 | 118.0° | 109.4° |
| C16 | C27 | N28 | 113.0° | 109.5° |
| C27 | C16 | H16 | 107.3° | 109.5° |
| C27 | C16 | H16A | 107.3° | 109.5° |
| C16 | C27 | H27 | 108.6° | 109.5° |
| C16 | C27 | H27A | 108.6° | 109.5° |
| C16 | N6 | C13 | 109.7° | 111.0° |
| C16 | N6 | C14 | 113.5° | 111.0° |
| N6 | C16 | H16 | 107.3° | 109.5° |
| N6 | C16 | H16A | 107.3° | 109.5° |
| N28 | C27 | H27 | 108.6° | 109.4° |
| N28 | C27 | H27A | 108.6° | 109.5° |
| C27 | N28 | HN28 | 119.9° | 120.0° |
| N4 | C7 | C6 | 120.9° | 118.5° |
| C7 | N4 | C8 | 116.2° | 121.1° |
| C7 | C6 | N2 | 132.5° | 134.7° |
| C7 | C6 | C9 | 117.0° | 118.1° |
| C13 | N6 | C14 | 107.9° | 111.2° |
| N6 | C13 | C12 | 110.3° | 109.5° |
| N6 | C13 | H02 | 110.8° | 109.4° |
| N6 | C14 | C15 | 109.3° | 109.5° |
| N6 | C14 | H14A | 109.5° | 109.4° |
| N6 | C14 | H14 | 109.5° | 109.5° |
| N4 | C8 | N5 | 129.3° | 122.5° |
| N4 | C8 | H8 | 115.4° | 118.8° |
| C6 | N2 | C5 | 104.4° | 109.4° |
| N2 | C6 | C9 | 110.6° | 107.2° |
| N2 | C5 | N1 | 113.0° | 109.9° |
| N2 | C5 | H5 | 123.5° | 125.0° |
| C13 | C12 | C11 | 113.6° | 109.3° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H12A | 108.4° | 109.5° |
| C12 | C13 | H02 | 110.1° | 109.5° |
| C6 | C9 | N5 | 124.6° | 119.1° |
| C6 | C9 | N1 | 106.2° | 106.0° |
| C12 | C11 | C15 | 111.4° | 109.2° |
| C12 | C11 | S1 | 107.5° | 109.5° |
| C12 | C11 | H11 | 109.4° | 109.5° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C11 | C12 | H12A | 108.4° | 109.6° |
| C14 | C15 | C11 | 115.5° | 109.3° |
| C15 | C14 | H14A | 109.5° | 109.5° |
| C15 | C14 | H14 | 109.5° | 109.5° |
| C14 | C15 | H15A | 107.9° | 109.5° |
| C14 | C15 | H15 | 107.9° | 109.5° |
| C8 | N5 | C9 | 112.1° | 120.6° |
| N5 | C8 | H8 | 115.4° | 118.7° |
| C5 | N1 | C9 | 105.8° | 107.5° |
| C5 | N1 | C4 | 124.1° | 126.2° |
| N1 | C5 | H5 | 123.5° | 125.1° |
| N5 | C9 | N1 | 129.2° | 134.9° |
| C9 | N1 | C4 | 130.1° | 126.3° |
| C15 | C11 | S1 | 113.2° | 109.6° |
| C15 | C11 | H11 | 109.5° | 109.6° |
| C11 | C15 | H15A | 107.9° | 109.6° |
| C11 | C15 | H15 | 107.9° | 109.5° |
| C11 | S1 | C10 | 115.0° | 103.0° |
| S1 | C11 | H11 | 105.5° | 109.5° |
| N1 | C4 | O1 | 106.8° | 110.4° |
| N1 | C4 | C3 | 119.0° | 110.4° |
| N1 | C4 | H4 | 108.2° | 110.3° |
| C4 | O1 | C1 | 107.4° | 105.3° |
| O1 | C4 | C3 | 107.0° | 104.8° |
| O1 | C4 | H4 | 108.4° | 110.4° |
| O1 | C1 | C10 | 115.0° | 110.5° |
| O1 | C1 | C2 | 103.5° | 104.8° |
| O1 | C1 | H1 | 110.2° | 110.4° |
| C4 | C3 | C2 | 99.7° | 104.1° |
| C4 | C3 | O3 | 107.7° | 110.5° |
| C4 | C3 | H3 | 112.3° | 110.7° |
| C3 | C4 | H4 | 107.0° | 110.4° |
| S1 | C10 | C1 | 119.0° | 109.4° |
| S1 | C10 | H10A | 107.1° | 109.5° |
| S1 | C10 | H10 | 107.0° | 109.5° |
| C10 | C1 | C2 | 111.4° | 110.3° |
| C10 | C1 | H1 | 108.7° | 110.3° |
| C1 | C10 | H10A | 107.0° | 109.5° |
| C1 | C10 | H10 | 107.1° | 109.4° |
| C1 | C2 | C3 | 105.1° | 104.1° |
| C1 | C2 | O2 | 111.2° | 110.5° |
| C2 | C1 | H1 | 107.8° | 110.4° |
| C1 | C2 | H2 | 108.7° | 110.6° |
| C2 | C3 | O3 | 110.1° | 110.5° |
| C3 | C2 | O2 | 112.1° | 110.5° |
| C3 | C2 | H2 | 108.2° | 110.7° |
| C2 | C3 | H3 | 111.5° | 110.5° |
| O3 | C3 | H3 | 114.5° | 110.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O2 | C2 | H2 | 111.3° | 110.4° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H10A | C10 | H10 | 109.4° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H14A | C14 | H14 | 109.5° | 109.4° |
| H15A | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H23B | C23 | H23A | 109.5° | 109.4° |
| H23B | C23 | H23 | 109.5° | 109.5° |
| H23A | C23 | H23 | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.4° | 109.5° |
| H24A | C24 | H24 | 109.5° | 109.5° |
| H24B | C24 | H24 | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| HN3A | N3 | HN3 | 109.5° | 120.0° |
| HN9 | N9 | HN9A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | C19 | N10 | N8 | 179.8° | 179.8° |
| N9 | C19 | N10 | C20 | 179.8° | 179.8° |
| N9 | C19 | N8 | C25 | 179.9° | 180.0° |
| N9 | C19 | N10 | HN10 | 0.2° | 0.2° |
| C19 | N9 | HN9 | HN9A | 180.0° | 180.0° |
| C19 | N10 | C20 | HN10 | 180.0° | 180.0° |
| N10 | C19 | N8 | C25 | 0.1° | 0.2° |
| C19 | N10 | C20 | O5 | 179.9° | 179.8° |
| C19 | N10 | C20 | C26 | 0.0° | 0.2° |
| N10 | C19 | N9 | HN9 | 179.8° | 0.0° |
| N10 | C19 | N9 | HN9A | 0.2° | 180.0° |
| N8 | C19 | N10 | C20 | 0.0° | 0.4° |
| C19 | N8 | C25 | C26 | 0.1° | 0.6° |
| C19 | N8 | C25 | N12 | 179.6° | 179.1° |
| N8 | C19 | N10 | HN10 | 180.0° | 179.6° |
| N8 | C19 | N9 | HN9 | 0.0° | 179.8° |
| N8 | C19 | N9 | HN9A | 180.0° | 0.2° |
| N10 | C20 | O5 | C26 | 180.0° | 180.0° |
| N10 | C20 | C26 | C25 | 0.0° | 0.9° |
| N10 | C20 | C26 | N11 | 179.8° | 179.9° |
| N8 | C25 | C26 | C20 | 0.1° | 1.1° |
| N8 | C25 | C26 | N12 | 179.5° | 179.8° |
| N8 | C25 | C26 | N11 | 179.9° | 179.7° |
| N8 | C25 | N12 | C22 | 175.4° | 151.9° |
| N8 | C25 | N12 | HN12 | 63.0° | 28.1° |
| O5 | C20 | C26 | C25 | 180.0° | 179.1° |
| O5 | C20 | C26 | N11 | 0.2° | 0.1° |
| O5 | C20 | N10 | HN10 | 0.1° | 0.1° |
| C20 | C26 | C25 | N11 | 179.8° | 179.2° |
| C20 | C26 | C25 | N12 | 179.5° | 178.6° |
| C20 | C26 | N11 | C21 | 171.0° | 168.2° |
| C26 | C20 | N10 | HN10 | 180.0° | 179.9° |
| C26 | C25 | N12 | C22 | 5.0° | 28.3° |
| C25 | C26 | N11 | C21 | 8.8° | 12.6° |
| C26 | C25 | N12 | HN12 | 116.5° | 151.6° |
| N12 | C25 | C26 | N11 | 0.7° | 0.6° |
| C25 | N12 | C22 | HN12 | 121.5° | 180.0° |
| C25 | N12 | C22 | C24 | 121.1° | 80.3° |
| C25 | N12 | C22 | C21 | 0.6° | 39.6° |
| C25 | N12 | C22 | C23 | 126.3° | 159.5° |
| C26 | N11 | C21 | C22 | 13.7° | 2.8° |
| C26 | N11 | C21 | C18 | 178.8° | 177.2° |
| N12 | C22 | C24 | C21 | 122.7° | 119.5° |
| N12 | C22 | C24 | C23 | 111.5° | 120.2° |
| N12 | C22 | C21 | N11 | 9.3° | 27.8° |
| N12 | C22 | C21 | C23 | 120.9° | 119.8° |
| N12 | C22 | C21 | C18 | 173.6° | 152.2° |
| N12 | C22 | C23 | H23B | 180.0° | 69.3° |
| N12 | C22 | C23 | H23A | 60.0° | 50.6° |
| N12 | C22 | C23 | H23 | 60.0° | 170.7° |
| N12 | C22 | C24 | H24A | 180.0° | 179.5° |
| N12 | C22 | C24 | H24B | 60.0° | 60.5° |
| N12 | C22 | C24 | H24 | 60.0° | 59.5° |
| C24 | C22 | C21 | N11 | 126.5° | 92.2° |
| C24 | C22 | C21 | C23 | 121.9° | 120.2° |
| C24 | C22 | C21 | C18 | 69.3° | 87.8° |
| C24 | C22 | C23 | H23B | 69.6° | 170.4° |
| C24 | C22 | C23 | H23A | 170.4° | 69.7° |
| C24 | C22 | C23 | H23 | 50.4° | 50.4° |
| C22 | C24 | H24A | H24B | 120.0° | 120.0° |
| C22 | C24 | H24A | H24 | 120.0° | 120.0° |
| C22 | C24 | H24B | H24 | 120.0° | 120.0° |
| C24 | C22 | N12 | HN12 | 117.4° | 99.7° |
| N11 | C21 | C22 | C18 | 164.2° | 180.0° |
| N11 | C21 | C22 | C23 | 111.6° | 147.6° |
| N11 | C21 | C18 | N28 | 15.2° | 5.1° |
| N11 | C21 | C18 | O4 | 165.4° | 174.9° |
| C22 | C21 | C18 | N28 | 179.1° | 174.9° |
| C22 | C21 | C18 | O4 | 0.3° | 5.1° |
| C21 | C22 | C23 | H23B | 54.8° | 50.1° |
| C21 | C22 | C23 | H23A | 65.2° | 170.1° |
| C21 | C22 | C23 | H23 | 174.9° | 69.8° |
| C21 | C22 | C24 | H24A | 57.4° | 60.0° |
| C21 | C22 | C24 | H24B | 177.3° | 180.0° |
| C21 | C22 | C24 | H24 | 62.7° | 60.0° |
| C21 | C22 | N12 | HN12 | 120.9° | 140.3° |
| C23 | C22 | C21 | C18 | 52.6° | 32.4° |
| C22 | C23 | H23B | H23A | 120.0° | 120.0° |
| C22 | C23 | H23B | H23 | 120.0° | 120.0° |
| C22 | C23 | H23A | H23 | 120.0° | 120.0° |
| C23 | C22 | C24 | H24A | 68.4° | 60.2° |
| C23 | C22 | C24 | H24B | 51.5° | 59.7° |
| C23 | C22 | C24 | H24 | 171.5° | 179.8° |
| C23 | C22 | N12 | HN12 | 4.7° | 20.5° |
| C21 | C18 | N28 | O4 | 179.4° | 179.9° |
| C21 | C18 | N28 | C27 | 152.9° | 180.0° |
| C21 | C18 | N28 | HN28 | 27.1° | 0.0° |
| O01 | C01 | O03 | C13 | 178.7° | 179.7° |
| O01 | C01 | C13 | N6 | 29.7° | 30.1° |
| O01 | C01 | C13 | C12 | 89.0° | 90.0° |
| O01 | C01 | C13 | H02 | 152.8° | 150.0° |
| O01 | C01 | O03 | H7 | 0.0° | 0.3° |
| N3 | C7 | N4 | C6 | 179.9° | 179.9° |
| N3 | C7 | N4 | C8 | 179.9° | 179.9° |
| N3 | C7 | C6 | N2 | 0.2° | 0.5° |
| N3 | C7 | C6 | C9 | 180.0° | 179.9° |
| C7 | N3 | HN3A | HN3 | 120.0° | 180.0° |
| C18 | N28 | C27 | C16 | 128.0° | 180.0° |
| C18 | N28 | C27 | HN28 | 180.0° | 180.0° |
| C18 | N28 | C27 | H27 | 7.5° | 60.0° |
| C18 | N28 | C27 | H27A | 111.5° | 60.0° |
| O4 | C18 | N28 | C27 | 26.5° | 0.0° |
| O4 | C18 | N28 | HN28 | 153.6° | 180.0° |
| O03 | C01 | C13 | N6 | 149.2° | 150.3° |
| O03 | C01 | C13 | C12 | 92.1° | 89.7° |
| O03 | C01 | C13 | H02 | 26.1° | 30.4° |
| C01 | C13 | N6 | C16 | 56.6° | 54.1° |
| C01 | C13 | N6 | C12 | 115.1° | 120.0° |
| C01 | C13 | N6 | H02 | 122.8° | 120.0° |
| C01 | C13 | N6 | C14 | 179.4° | 178.3° |
| C01 | C13 | C12 | H02 | 118.4° | 120.0° |
| C01 | C13 | C12 | C11 | 166.8° | 179.2° |
| C01 | C13 | C12 | H12 | 72.6° | 59.2° |
| C01 | C13 | C12 | H12A | 46.2° | 60.8° |
| C13 | C01 | O03 | H7 | 178.7° | 179.9° |
| C27 | C16 | N6 | H16 | 121.2° | 120.0° |
| C27 | C16 | N6 | H16A | 121.2° | 120.0° |
| C16 | C27 | N28 | H27 | 120.5° | 120.0° |
| C16 | C27 | N28 | H27A | 120.5° | 120.0° |
| C27 | C16 | N6 | C13 | 64.1° | 164.7° |
| C27 | C16 | N6 | C14 | 56.7° | 71.0° |
| C27 | C16 | H16 | H16A | 116.1° | 120.0° |
| C16 | C27 | H27 | H27A | 118.4° | 120.1° |
| C16 | C27 | N28 | HN28 | 52.0° | 0.0° |
| N6 | C16 | C27 | N28 | 163.1° | 180.0° |
| C16 | N6 | C13 | C14 | 124.1° | 124.2° |
| C16 | N6 | C13 | C12 | 171.7° | 174.1° |
| C16 | N6 | C14 | C15 | 169.3° | 174.2° |
| C16 | N6 | C13 | H02 | 66.2° | 65.8° |
| C16 | N6 | C14 | H14A | 49.3° | 65.8° |
| C16 | N6 | C14 | H14 | 70.7° | 54.1° |
| N6 | C16 | H16 | H16A | 116.1° | 120.0° |
| N6 | C16 | C27 | H27 | 76.4° | 60.1° |
| N6 | C16 | C27 | H27A | 42.5° | 60.0° |
| N28 | C27 | C16 | H16 | 75.7° | 60.0° |
| N28 | C27 | C16 | H16A | 41.8° | 60.0° |
| N28 | C27 | H27 | H27A | 118.4° | 120.0° |
| N4 | C7 | C6 | N2 | 179.9° | 179.4° |
| N4 | C7 | C6 | C9 | 0.1° | 0.0° |
| C7 | N4 | C8 | N5 | 0.4° | 0.1° |
| C7 | N4 | C8 | H8 | 179.6° | 180.0° |
| N4 | C7 | N3 | HN3A | 0.0° | 0.0° |
| N4 | C7 | N3 | HN3 | 120.0° | 180.0° |
| C6 | C7 | N4 | C8 | 0.0° | 0.0° |
| C7 | C6 | N2 | C9 | 179.8° | 179.5° |
| C7 | C6 | N2 | C5 | 179.8° | 179.7° |
| C7 | C6 | C9 | N5 | 0.1° | 0.0° |
| C7 | C6 | C9 | N1 | 179.0° | 180.0° |
| C6 | C7 | N3 | HN3A | 180.0° | 179.9° |
| C6 | C7 | N3 | HN3 | 60.0° | 0.1° |
| N6 | C13 | C12 | H02 | 122.5° | 120.0° |
| N6 | C13 | C12 | C11 | 47.7° | 59.2° |
| C13 | N6 | C14 | C15 | 68.9° | 61.7° |
| N6 | C13 | C12 | H12 | 168.2° | 60.8° |
| N6 | C13 | C12 | H12A | 72.9° | 179.2° |
| C13 | N6 | C14 | H14A | 171.1° | 58.3° |
| C13 | N6 | C14 | H14 | 51.0° | 178.3° |
| C13 | N6 | C16 | H16 | 57.2° | 75.3° |
| C13 | N6 | C16 | H16A | 174.7° | 44.7° |
| C14 | N6 | C13 | C12 | 64.2° | 61.7° |
| N6 | C14 | C15 | H14A | 120.0° | 120.0° |
| N6 | C14 | C15 | H14 | 120.0° | 120.1° |
| N6 | C14 | C15 | C11 | 59.3° | 59.1° |
| C14 | N6 | C13 | H02 | 57.9° | 58.3° |
| N6 | C14 | H14A | H14 | 120.1° | 120.0° |
| N6 | C14 | C15 | H15A | 61.6° | 179.2° |
| N6 | C14 | C15 | H15 | 179.8° | 60.8° |
| C14 | N6 | C16 | H16 | 177.9° | 49.0° |
| C14 | N6 | C16 | H16A | 64.5° | 168.9° |
| N4 | C8 | N5 | H8 | 180.0° | 179.9° |
| N4 | C8 | N5 | C9 | 0.6° | 0.1° |
| C6 | N2 | C5 | N1 | 0.9° | 0.0° |
| N2 | C6 | C9 | N5 | 179.7° | 179.6° |
| N2 | C6 | C9 | N1 | 0.8° | 0.4° |
| C6 | N2 | C5 | H5 | 179.1° | 179.7° |
| C5 | N2 | C6 | C9 | 0.1° | 0.3° |
| N2 | C5 | N1 | H5 | 180.0° | 179.7° |
| N2 | C5 | N1 | C9 | 1.5° | 0.3° |
| N2 | C5 | N1 | C4 | 178.6° | 179.8° |
| C13 | C12 | C11 | H12 | 120.6° | 120.0° |
| C13 | C12 | C11 | H12A | 120.6° | 119.9° |
| C13 | C12 | C11 | C15 | 36.1° | 57.7° |
| C13 | C12 | C11 | S1 | 88.6° | 62.2° |
| C13 | C12 | C11 | H11 | 157.3° | 177.7° |
| C13 | C12 | H12 | H12A | 118.1° | 120.0° |
| C6 | C9 | N5 | C8 | 0.4° | 0.0° |
| C6 | C9 | N1 | C5 | 1.3° | 0.4° |
| C6 | C9 | N5 | N1 | 178.6° | 180.0° |
| C6 | C9 | N1 | C4 | 178.2° | 179.6° |
| C12 | C11 | C15 | C14 | 41.4° | 57.7° |
| C12 | C11 | C15 | S1 | 121.3° | 119.9° |
| C12 | C11 | C15 | H11 | 121.2° | 119.9° |
| C12 | C11 | S1 | H11 | 116.7° | 120.1° |
| C12 | C11 | S1 | C10 | 55.5° | 175.1° |
| C11 | C12 | H12 | H12A | 118.1° | 120.1° |
| C11 | C12 | C13 | H02 | 74.9° | 60.8° |
| C12 | C11 | C15 | H15A | 79.5° | 177.7° |
| C12 | C11 | C15 | H15 | 162.2° | 62.2° |
| C14 | C15 | C11 | H15A | 120.9° | 120.0° |
| C14 | C15 | C11 | H15 | 120.9° | 119.9° |
| C14 | C15 | C11 | S1 | 80.0° | 62.2° |
| C14 | C15 | C11 | H11 | 162.6° | 177.6° |
| C15 | C14 | H14A | H14 | 120.1° | 120.0° |
| C14 | C15 | H15A | H15 | 117.2° | 120.1° |
| C8 | N5 | C9 | N1 | 179.0° | 180.0° |
| C5 | N1 | C9 | N5 | 179.9° | 179.6° |
| C5 | N1 | C9 | C4 | 176.9° | 180.0° |
| C5 | N1 | C4 | O1 | 107.0° | 20.5° |
| C5 | N1 | C4 | C3 | 131.9° | 94.9° |
| C5 | N1 | C4 | H4 | 9.6° | 142.8° |
| N5 | C9 | N1 | C4 | 3.0° | 0.4° |
| C9 | N5 | C8 | H8 | 179.4° | 180.0° |
| C9 | N1 | C4 | O1 | 69.4° | 159.6° |
| C9 | N1 | C4 | C3 | 51.7° | 85.0° |
| C9 | N1 | C4 | H4 | 174.0° | 37.3° |
| C9 | N1 | C5 | H5 | 178.5° | 180.0° |
| C15 | C11 | S1 | H11 | 119.8° | 120.2° |
| C15 | C11 | S1 | C10 | 179.0° | 65.1° |
| C15 | C11 | C12 | H12 | 156.7° | 62.3° |
| C15 | C11 | C12 | H12A | 84.5° | 177.7° |
| C11 | C15 | C14 | H14A | 179.3° | 60.8° |
| C11 | C15 | C14 | H14 | 60.7° | 179.2° |
| C11 | C15 | H15A | H15 | 117.3° | 120.1° |
| C11 | S1 | C10 | C1 | 53.5° | 180.0° |
| C11 | S1 | C10 | H10A | 174.9° | 60.0° |
| C11 | S1 | C10 | H10 | 67.8° | 60.0° |
| S1 | C11 | C12 | H12 | 32.0° | 177.8° |
| S1 | C11 | C12 | H12A | 150.9° | 57.7° |
| S1 | C11 | C15 | H15A | 159.2° | 57.7° |
| S1 | C11 | C15 | H15 | 40.9° | 177.9° |
| N1 | C4 | O1 | C3 | 128.5° | 118.8° |
| N1 | C4 | O1 | H4 | 116.4° | 122.3° |
| N1 | C4 | O1 | C1 | 171.4° | 159.4° |
| N1 | C4 | C3 | H4 | 122.9° | 122.2° |
| N1 | C4 | C3 | C2 | 145.3° | 142.9° |
| N1 | C4 | C3 | O3 | 99.8° | 98.5° |
| N1 | C4 | C3 | H3 | 27.2° | 24.2° |
| C4 | N1 | C5 | H5 | 1.4° | 0.1° |
| O1 | C4 | C3 | H4 | 116.1° | 118.9° |
| C4 | O1 | C1 | C10 | 162.3° | 159.4° |
| C4 | O1 | C1 | C2 | 40.6° | 40.6° |
| O1 | C4 | C3 | C2 | 24.3° | 24.0° |
| O1 | C4 | C3 | O3 | 139.2° | 142.6° |
| C4 | O1 | C1 | H1 | 74.5° | 78.3° |
| O1 | C4 | C3 | H3 | 93.9° | 94.7° |
| C1 | O1 | C4 | C3 | 43.0° | 40.6° |
| O1 | C1 | C10 | S1 | 54.6° | 69.6° |
| O1 | C1 | C10 | C2 | 117.3° | 115.4° |
| O1 | C1 | C10 | H1 | 124.1° | 122.4° |
| O1 | C1 | C2 | H1 | 116.8° | 118.9° |
| O1 | C1 | C2 | C3 | 23.3° | 24.0° |
| O1 | C1 | C2 | O2 | 144.8° | 142.7° |
| O1 | C1 | C10 | H10A | 176.0° | 170.4° |
| O1 | C1 | C10 | H10 | 66.7° | 50.4° |
| O1 | C1 | C2 | H2 | 92.3° | 94.8° |
| C1 | O1 | C4 | H4 | 72.1° | 78.3° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C4 | C3 | C2 | O3 | 113.0° | 118.6° |
| C4 | C3 | C2 | H3 | 118.8° | 118.8° |
| C4 | C3 | O3 | H3 | 125.7° | 122.8° |
| C4 | C3 | C2 | O2 | 120.1° | 118.6° |
| C4 | C3 | C2 | H2 | 116.7° | 118.8° |
| C4 | C3 | O3 | HO3 | 180.0° | 176.1° |
| S1 | C10 | C1 | H10A | 121.4° | 120.0° |
| S1 | C10 | C1 | H10 | 121.3° | 119.9° |
| S1 | C10 | C1 | C2 | 62.7° | 175.0° |
| S1 | C10 | C1 | H1 | 178.7° | 52.8° |
| S1 | C10 | H10A | H10 | 115.7° | 120.0° |
| C10 | S1 | C11 | H11 | 61.2° | 55.1° |
| C10 | C1 | C2 | H1 | 119.1° | 122.1° |
| C10 | C1 | C2 | C3 | 147.4° | 143.0° |
| C10 | C1 | C2 | O2 | 91.1° | 98.4° |
| C1 | C10 | H10A | H10 | 115.7° | 120.0° |
| C10 | C1 | C2 | H2 | 31.8° | 24.1° |
| C1 | C2 | C3 | O2 | 120.9° | 118.6° |
| C1 | C2 | C3 | H2 | 115.9° | 118.8° |
| C1 | C2 | C3 | O3 | 113.8° | 118.6° |
| C1 | C2 | O2 | H2 | 121.3° | 122.6° |
| C2 | C1 | C10 | H10A | 58.7° | 55.0° |
| C2 | C1 | C10 | H10 | 176.0° | 65.1° |
| C1 | C2 | C3 | H3 | 118.0° | 118.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 179.9° |
| C2 | C3 | O3 | H3 | 126.5° | 122.6° |
| C3 | C2 | O2 | H2 | 121.4° | 122.8° |
| C3 | C2 | C1 | H1 | 93.4° | 94.9° |
| C2 | C3 | C4 | H4 | 91.8° | 94.8° |
| C3 | C2 | O2 | HO2 | 62.7° | 65.3° |
| C2 | C3 | O3 | HO3 | 72.3° | 61.5° |
| O3 | C3 | C2 | O2 | 7.1° | 0.0° |
| O3 | C3 | C2 | H2 | 130.3° | 122.6° |
| O3 | C3 | C4 | H4 | 23.1° | 23.8° |
| O2 | C2 | C1 | H1 | 28.0° | 23.8° |
| O2 | C2 | C3 | H3 | 121.1° | 122.6° |
| H1 | C1 | C10 | H10A | 59.9° | 67.2° |
| H1 | C1 | C10 | H10 | 57.4° | 172.8° |
| H1 | C1 | C2 | H2 | 150.9° | 146.3° |
| H11 | C11 | C12 | H12 | 82.1° | 57.7° |
| H11 | C11 | C12 | H12A | 36.7° | 62.4° |
| H11 | C11 | C15 | H15A | 41.7° | 62.4° |
| H11 | C11 | C15 | H15 | 76.6° | 57.7° |
| H12 | C12 | C13 | H02 | 45.7° | 179.2° |
| H12A | C12 | C13 | H02 | 164.5° | 59.2° |
| H14A | C14 | C15 | H15A | 58.4° | 59.2° |
| H14A | C14 | C15 | H15 | 59.9° | 179.3° |
| H14 | C14 | C15 | H15A | 178.4° | 60.8° |
| H14 | C14 | C15 | H15 | 60.2° | 59.3° |
| H16 | C16 | C27 | H27 | 44.8° | 59.9° |
| H16 | C16 | C27 | H27A | 163.8° | 180.0° |
| H16A | C16 | C27 | H27 | 162.4° | 179.9° |
| H16A | C16 | C27 | H27A | 78.7° | 60.0° |
| H2 | C2 | C3 | H3 | 2.1° | 0.0° |
| H2 | C2 | O2 | HO2 | 58.7° | 57.5° |
| H23B | C23 | H23A | H23 | 120.0° | 120.0° |
| H24A | C24 | H24B | H24 | 120.0° | 120.0° |
| H27 | C27 | N28 | HN28 | 172.5° | 120.0° |
| H27A | C27 | N28 | HN28 | 68.5° | 120.0° |
| H3 | C3 | C4 | H4 | 150.1° | 146.4° |
| H3 | C3 | O3 | HO3 | 54.3° | 61.1° |
