J1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.44Å | 1.42Å | |
| C1 | C2 | sing | 1.54Å | 1.56Å | |
| C1 | C10 | sing | 1.53Å | 1.58Å | |
| N1 | C4 | sing | 1.47Å | 1.50Å | |
| N1 | C5 | sing | 1.36Å | 1.43Å | Aromatic |
| N1 | C9 | sing | 1.37Å | 1.40Å | Aromatic |
| O1 | C4 | sing | 1.44Å | 1.41Å | |
| S1 | C10 | sing | 1.81Å | 1.88Å | |
| S1 | C11 | sing | 1.81Å | 1.93Å | |
| C2 | O2 | sing | 1.43Å | 1.39Å | |
| C2 | C3 | sing | 1.55Å | 1.60Å | |
| N2 | C5 | doub | 1.30Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.36Å | 1.40Å | Aromatic |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| N3 | C7 | sing | 1.38Å | 1.36Å | |
| N4 | C7 | doub | 1.33Å | 1.37Å | Aromatic |
| N4 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| O4 | C18 | doub | 1.22Å | 1.23Å | |
| N5 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C9 | sing | 1.33Å | 1.36Å | Aromatic |
| O5 | C20 | doub | 1.22Å | 1.22Å | |
| C6 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C6 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| N6 | C13 | sing | 1.47Å | 1.51Å | |
| N6 | C14 | sing | 1.47Å | 1.54Å | |
| N6 | C16 | sing | 1.47Å | 1.54Å | |
| N8 | C19 | doub | 1.32Å | 1.36Å | |
| N8 | C25 | sing | 1.33Å | 1.39Å | |
| N9 | C19 | sing | 1.37Å | 1.38Å | |
| N10 | C19 | sing | 1.36Å | 1.37Å | |
| N10 | C20 | sing | 1.35Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C15 | sing | 1.53Å | 1.55Å | |
| N11 | C21 | doub | 1.30Å | 1.29Å | |
| N11 | C26 | sing | 1.34Å | 1.38Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| N12 | C22 | sing | 1.47Å | 1.49Å | |
| N12 | C25 | sing | 1.38Å | 1.36Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C16 | C27 | sing | 1.53Å | 1.55Å | |
| C18 | C21 | sing | 1.46Å | 1.51Å | |
| C18 | N28 | sing | 1.35Å | 1.40Å | |
| C20 | C26 | sing | 1.42Å | 1.44Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | doub | 1.41Å | 1.39Å | |
| C27 | N28 | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| N9 | HN9A | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 104.7° | 107.3° |
| O1 | C1 | C10 | 112.4° | 109.8° |
| C1 | O1 | C4 | 110.6° | 107.0° |
| O1 | C1 | H1 | 113.7° | 109.9° |
| C2 | C1 | C10 | 117.0° | 109.9° |
| C1 | C2 | O2 | 107.6° | 110.5° |
| C1 | C2 | C3 | 104.1° | 104.2° |
| C2 | C1 | H1 | 108.8° | 109.9° |
| C1 | C2 | H2 | 114.8° | 110.5° |
| C1 | C10 | S1 | 118.2° | 109.5° |
| C10 | C1 | H1 | 100.5° | 110.0° |
| C1 | C10 | H10 | 106.7° | 109.4° |
| C1 | C10 | H10A | 106.7° | 109.5° |
| C4 | N1 | C5 | 122.8° | 126.3° |
| C4 | N1 | C9 | 132.9° | 126.3° |
| N1 | C4 | O1 | 109.9° | 110.6° |
| N1 | C4 | C3 | 116.4° | 110.6° |
| N1 | C4 | H4 | 103.1° | 110.6° |
| C5 | N1 | C9 | 104.2° | 107.5° |
| N1 | C5 | N2 | 113.7° | 109.9° |
| N1 | C5 | H5 | 123.1° | 125.0° |
| N1 | C9 | N5 | 129.4° | 134.9° |
| N1 | C9 | C6 | 107.1° | 106.0° |
| O1 | C4 | C3 | 105.2° | 103.5° |
| O1 | C4 | H4 | 114.7° | 110.6° |
| C10 | S1 | C11 | 112.6° | 103.0° |
| S1 | C10 | H10 | 106.6° | 109.5° |
| S1 | C10 | H10A | 106.6° | 109.5° |
| S1 | C11 | C12 | 111.7° | 109.5° |
| S1 | C11 | C15 | 115.7° | 109.6° |
| S1 | C11 | H11 | 102.8° | 109.5° |
| O2 | C2 | C3 | 111.4° | 110.5° |
| O2 | C2 | H2 | 107.9° | 110.4° |
| C2 | O2 | HO2 | 109.5° | 114.1° |
| C2 | C3 | O3 | 112.0° | 110.9° |
| C2 | C3 | C4 | 102.8° | 102.0° |
| C3 | C2 | H2 | 111.1° | 110.5° |
| C2 | C3 | H3 | 112.6° | 111.0° |
| C5 | N2 | C6 | 104.9° | 109.5° |
| N2 | C5 | H5 | 123.2° | 125.1° |
| N2 | C6 | C7 | 131.8° | 134.7° |
| N2 | C6 | C9 | 110.1° | 107.1° |
| O3 | C3 | C4 | 110.6° | 110.9° |
| O3 | C3 | H3 | 105.1° | 110.9° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 114.0° | 110.9° |
| C3 | C4 | H4 | 107.9° | 110.8° |
| N3 | C7 | N4 | 117.6° | 120.8° |
| N3 | C7 | C6 | 123.7° | 120.8° |
| C7 | N3 | HN3 | 109.5° | 120.0° |
| C7 | N3 | HN3A | 109.5° | 120.0° |
| C7 | N4 | C8 | 116.6° | 121.2° |
| N4 | C7 | C6 | 118.7° | 118.5° |
| N4 | C8 | N5 | 130.5° | 122.5° |
| N4 | C8 | H8 | 114.8° | 118.8° |
| O4 | C18 | C21 | 117.9° | 120.0° |
| O4 | C18 | N28 | 120.7° | 120.0° |
| C8 | N5 | C9 | 112.6° | 120.6° |
| N5 | C8 | H8 | 114.7° | 118.7° |
| N5 | C9 | C6 | 123.5° | 119.1° |
| O5 | C20 | N10 | 114.7° | 120.9° |
| O5 | C20 | C26 | 130.1° | 120.9° |
| C7 | C6 | C9 | 118.2° | 118.2° |
| C13 | N6 | C14 | 113.3° | 111.2° |
| C13 | N6 | C16 | 110.3° | 111.0° |
| N6 | C13 | C12 | 113.7° | 109.5° |
| N6 | C13 | H13 | 108.1° | 109.5° |
| N6 | C13 | H13A | 108.1° | 109.5° |
| C14 | N6 | C16 | 119.2° | 111.0° |
| N6 | C14 | C15 | 116.7° | 109.5° |
| N6 | C14 | H14 | 107.1° | 109.5° |
| N6 | C14 | H14A | 107.1° | 109.5° |
| N6 | C16 | C27 | 121.5° | 109.5° |
| N6 | C16 | H16 | 105.6° | 109.5° |
| N6 | C16 | H16A | 105.6° | 109.5° |
| C19 | N8 | C25 | 115.3° | 121.0° |
| N8 | C19 | N9 | 119.6° | 119.0° |
| N8 | C19 | N10 | 125.0° | 122.0° |
| N8 | C25 | N12 | 119.0° | 121.7° |
| N8 | C25 | C26 | 123.3° | 119.9° |
| N9 | C19 | N10 | 115.4° | 119.0° |
| C19 | N9 | HN9 | 120.0° | 120.0° |
| C19 | N9 | HN9A | 120.0° | 120.0° |
| C19 | N10 | C20 | 120.7° | 120.5° |
| C19 | N10 | HN10 | 119.6° | 119.7° |
| N10 | C20 | C26 | 115.2° | 118.2° |
| C20 | N10 | HN10 | 119.7° | 119.8° |
| C12 | C11 | C15 | 107.3° | 109.1° |
| C11 | C12 | C13 | 109.6° | 109.3° |
| C12 | C11 | H11 | 111.8° | 109.5° |
| C11 | C12 | H12 | 109.4° | 109.5° |
| C11 | C12 | H12A | 109.4° | 109.5° |
| C11 | C15 | C14 | 116.8° | 109.3° |
| C15 | C11 | H11 | 107.5° | 109.6° |
| C11 | C15 | H15 | 107.1° | 109.5° |
| C11 | C15 | H15A | 107.1° | 109.4° |
| C21 | N11 | C26 | 119.0° | 121.9° |
| N11 | C21 | C18 | 114.8° | 119.3° |
| N11 | C21 | C22 | 125.0° | 121.3° |
| N11 | C26 | C20 | 115.2° | 121.5° |
| N11 | C26 | C25 | 124.3° | 120.2° |
| C13 | C12 | H12 | 109.4° | 109.5° |
| C13 | C12 | H12A | 109.4° | 109.5° |
| C12 | C13 | H13 | 108.1° | 109.4° |
| C12 | C13 | H13A | 108.1° | 109.4° |
| C22 | N12 | C25 | 123.8° | 117.3° |
| N12 | C22 | C21 | 110.0° | 109.0° |
| N12 | C22 | C23 | 105.7° | 109.6° |
| N12 | C22 | C24 | 108.6° | 109.5° |
| C22 | N12 | HN12 | 105.0° | 121.4° |
| N12 | C25 | C26 | 117.7° | 118.4° |
| C25 | N12 | HN12 | 104.9° | 121.3° |
| C15 | C14 | H14 | 107.1° | 109.4° |
| C15 | C14 | H14A | 107.1° | 109.4° |
| C14 | C15 | H15 | 107.1° | 109.5° |
| C14 | C15 | H15A | 107.1° | 109.5° |
| C16 | C27 | N28 | 112.1° | 109.5° |
| C27 | C16 | H16 | 105.6° | 109.4° |
| C27 | C16 | H16A | 105.6° | 109.5° |
| C16 | C27 | H27 | 108.6° | 109.4° |
| C16 | C27 | H27A | 108.6° | 109.5° |
| C21 | C18 | N28 | 121.4° | 120.0° |
| C18 | C21 | C22 | 120.3° | 119.4° |
| C18 | N28 | C27 | 123.1° | 120.0° |
| C18 | N28 | HN28 | 118.5° | 120.0° |
| C20 | C26 | C25 | 120.4° | 118.2° |
| C21 | C22 | C23 | 116.6° | 109.6° |
| C21 | C22 | C24 | 108.8° | 109.5° |
| C23 | C22 | C24 | 106.8° | 109.6° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C22 | C23 | H23B | 109.5° | 109.5° |
| C22 | C24 | H24 | 109.5° | 109.4° |
| C22 | C24 | H24A | 109.4° | 109.5° |
| C22 | C24 | H24B | 109.4° | 109.4° |
| N28 | C27 | H27 | 108.6° | 109.5° |
| N28 | C27 | H27A | 108.6° | 109.5° |
| C27 | N28 | HN28 | 118.5° | 120.0° |
| HN3 | N3 | HN3A | 109.4° | 120.0° |
| HN9 | N9 | HN9A | 120.0° | 119.9° |
| H10 | C10 | H10A | 112.2° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.6° |
| H13 | C13 | H13A | 110.8° | 109.5° |
| H14 | C14 | H14A | 111.7° | 109.4° |
| H15 | C15 | H15A | 111.7° | 109.6° |
| H16 | C16 | H16A | 113.0° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.4° | 109.4° |
| H23A | C23 | H23B | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H27 | C27 | H27A | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C10 | 125.2° | 119.4° |
| O1 | C1 | C2 | H1 | 121.9° | 119.4° |
| O1 | C1 | C10 | H1 | 121.2° | 121.1° |
| C1 | O1 | C4 | N1 | 163.9° | 158.6° |
| O1 | C1 | C10 | S1 | 83.0° | 66.5° |
| O1 | C1 | C2 | O2 | 131.4° | 120.7° |
| O1 | C1 | C2 | C3 | 13.0° | 2.0° |
| C1 | O1 | C4 | C3 | 37.9° | 40.1° |
| O1 | C1 | C2 | H2 | 108.6° | 116.7° |
| C1 | O1 | C4 | H4 | 80.5° | 78.6° |
| O1 | C1 | C10 | H10 | 37.0° | 173.6° |
| O1 | C1 | C10 | H10A | 157.0° | 53.5° |
| C2 | C1 | C10 | H1 | 117.6° | 121.1° |
| C2 | C1 | O1 | C4 | 32.1° | 26.5° |
| C2 | C1 | C10 | S1 | 38.2° | 175.7° |
| C1 | C2 | O2 | C3 | 113.5° | 114.8° |
| C1 | C2 | O2 | H2 | 124.3° | 122.6° |
| C1 | C2 | C3 | H2 | 124.0° | 118.7° |
| C1 | C2 | C3 | O3 | 126.4° | 139.1° |
| C1 | C2 | C3 | C4 | 7.7° | 20.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 115.4° | 97.3° |
| C2 | C1 | C10 | H10 | 158.2° | 55.7° |
| C2 | C1 | C10 | H10A | 81.8° | 64.3° |
| C10 | C1 | O1 | C4 | 160.1° | 146.0° |
| C1 | C10 | S1 | H10 | 120.0° | 119.9° |
| C1 | C10 | S1 | H10A | 120.0° | 120.0° |
| C1 | C10 | S1 | C11 | 49.6° | 180.0° |
| C10 | C1 | C2 | O2 | 103.4° | 119.9° |
| C10 | C1 | C2 | C3 | 138.2° | 121.4° |
| C10 | C1 | C2 | H2 | 16.6° | 2.7° |
| C1 | C10 | H10 | H10A | 116.4° | 120.0° |
| C4 | N1 | C5 | C9 | 177.9° | 179.8° |
| N1 | C4 | O1 | C3 | 126.0° | 118.4° |
| N1 | C4 | O1 | H4 | 115.5° | 122.9° |
| N1 | C4 | C3 | C2 | 148.1° | 155.6° |
| C4 | N1 | C5 | N2 | 178.6° | 180.0° |
| N1 | C4 | C3 | O3 | 92.1° | 86.3° |
| N1 | C4 | C3 | H4 | 115.2° | 122.9° |
| C4 | N1 | C9 | N5 | 2.0° | 0.0° |
| C4 | N1 | C9 | C6 | 178.2° | 180.0° |
| N1 | C4 | C3 | H3 | 26.0° | 37.3° |
| C4 | N1 | C5 | H5 | 1.4° | 0.1° |
| C5 | N1 | C4 | O1 | 101.0° | 23.5° |
| N1 | C5 | N2 | H5 | 180.0° | 180.0° |
| N1 | C5 | N2 | C6 | 0.4° | 0.1° |
| C5 | N1 | C4 | C3 | 139.6° | 90.6° |
| C5 | N1 | C9 | N5 | 179.6° | 179.8° |
| C5 | N1 | C9 | C6 | 0.6° | 0.2° |
| C5 | N1 | C4 | H4 | 21.7° | 146.4° |
| C9 | N1 | C4 | O1 | 76.2° | 156.7° |
| C9 | N1 | C5 | N2 | 0.7° | 0.2° |
| N1 | C9 | C6 | N2 | 0.4° | 0.1° |
| C9 | N1 | C4 | C3 | 43.2° | 89.2° |
| N1 | C9 | N5 | C8 | 178.9° | 180.0° |
| N1 | C9 | N5 | C6 | 179.7° | 180.0° |
| N1 | C9 | C6 | C7 | 179.6° | 179.9° |
| C9 | N1 | C4 | H4 | 161.1° | 33.8° |
| C9 | N1 | C5 | H5 | 179.3° | 179.8° |
| O1 | C4 | C3 | C2 | 26.2° | 37.1° |
| O1 | C4 | C3 | O3 | 145.9° | 155.2° |
| O1 | C4 | C3 | H4 | 122.9° | 118.6° |
| C4 | O1 | C1 | H1 | 86.5° | 92.9° |
| O1 | C4 | C3 | H3 | 96.0° | 81.1° |
| C10 | S1 | C11 | C12 | 46.4° | 175.0° |
| C10 | S1 | C11 | C15 | 169.5° | 65.3° |
| S1 | C10 | C1 | H1 | 155.8° | 54.6° |
| S1 | C10 | H10 | H10A | 116.4° | 120.0° |
| C10 | S1 | C11 | H11 | 73.7° | 54.9° |
| S1 | C11 | C12 | C15 | 127.8° | 119.9° |
| S1 | C11 | C12 | H11 | 114.5° | 120.1° |
| S1 | C11 | C15 | H11 | 114.1° | 120.2° |
| S1 | C11 | C12 | C13 | 65.0° | 177.6° |
| S1 | C11 | C15 | C14 | 77.4° | 177.5° |
| C11 | S1 | C10 | H10 | 70.4° | 60.0° |
| C11 | S1 | C10 | H10A | 169.6° | 60.0° |
| S1 | C11 | C12 | H12 | 175.0° | 62.5° |
| S1 | C11 | C12 | H12A | 55.0° | 57.6° |
| S1 | C11 | C15 | H15 | 42.6° | 57.6° |
| S1 | C11 | C15 | H15A | 162.5° | 62.5° |
| O2 | C2 | C3 | H2 | 120.3° | 122.6° |
| O2 | C2 | C3 | O3 | 10.8° | 20.3° |
| O2 | C2 | C3 | C4 | 108.0° | 97.8° |
| O2 | C2 | C1 | H1 | 9.5° | 1.3° |
| O2 | C2 | C3 | H3 | 129.0° | 144.0° |
| C2 | C3 | O3 | C4 | 114.0° | 112.6° |
| C2 | C3 | O3 | H3 | 122.6° | 123.7° |
| C2 | C3 | C4 | H3 | 122.2° | 118.2° |
| C3 | C2 | C1 | H1 | 108.9° | 117.4° |
| C3 | C2 | O2 | HO2 | 66.4° | 65.2° |
| C2 | C3 | O3 | HO3 | 180.0° | 61.5° |
| C2 | C3 | C4 | H4 | 96.7° | 81.5° |
| C5 | N2 | C6 | C7 | 180.0° | 180.0° |
| C5 | N2 | C6 | C9 | 0.0° | 0.0° |
| N2 | C6 | C7 | N3 | 0.1° | 0.0° |
| N2 | C6 | C7 | N4 | 179.4° | 180.0° |
| N2 | C6 | C9 | N5 | 179.8° | 179.9° |
| N2 | C6 | C7 | C9 | 180.0° | 180.0° |
| C6 | N2 | C5 | H5 | 179.6° | 179.9° |
| O3 | C3 | C4 | H3 | 118.1° | 123.6° |
| O3 | C3 | C2 | H2 | 109.5° | 102.2° |
| O3 | C3 | C4 | H4 | 23.1° | 36.6° |
| C4 | C3 | C2 | H2 | 131.7° | 139.6° |
| C4 | C3 | O3 | HO3 | 66.0° | 174.1° |
| N3 | C7 | N4 | C6 | 179.5° | 179.9° |
| N3 | C7 | N4 | C8 | 179.8° | 179.7° |
| N3 | C7 | C6 | C9 | 179.9° | 180.0° |
| C7 | N3 | HN3 | HN3A | 120.0° | 179.9° |
| C7 | N4 | C8 | N5 | 0.0° | 0.5° |
| N4 | C7 | C6 | C9 | 0.6° | 0.0° |
| N4 | C7 | N3 | HN3 | 0.0° | 0.0° |
| N4 | C7 | N3 | HN3A | 120.0° | 180.0° |
| C7 | N4 | C8 | H8 | 180.0° | 180.0° |
| N4 | C8 | N5 | H8 | 180.0° | 179.5° |
| N4 | C8 | N5 | C9 | 0.8° | 0.3° |
| C8 | N4 | C7 | C6 | 0.7° | 0.3° |
| O4 | C18 | C21 | N11 | 150.0° | 174.0° |
| O4 | C18 | C21 | N28 | 179.0° | 179.9° |
| O4 | C18 | C21 | C22 | 28.8° | 6.1° |
| O4 | C18 | N28 | C27 | 0.7° | 0.0° |
| O4 | C18 | N28 | HN28 | 179.2° | 179.9° |
| C8 | N5 | C9 | C6 | 0.8° | 0.0° |
| N5 | C9 | C6 | C7 | 0.2° | 0.1° |
| C9 | N5 | C8 | H8 | 179.2° | 179.8° |
| O5 | C20 | N10 | C19 | 179.8° | 179.4° |
| O5 | C20 | N10 | C26 | 178.4° | 179.9° |
| O5 | C20 | C26 | N11 | 1.3° | 0.6° |
| O5 | C20 | C26 | C25 | 179.7° | 178.3° |
| O5 | C20 | N10 | HN10 | 0.2° | 0.5° |
| C6 | C7 | N3 | HN3 | 179.5° | 180.0° |
| C6 | C7 | N3 | HN3A | 59.5° | 0.1° |
| C13 | N6 | C14 | C16 | 132.4° | 124.1° |
| N6 | C13 | C12 | C11 | 64.9° | 59.2° |
| N6 | C13 | C12 | H13 | 120.0° | 120.0° |
| N6 | C13 | C12 | H13A | 120.0° | 120.0° |
| C13 | N6 | C14 | C15 | 29.4° | 61.8° |
| C13 | N6 | C16 | C27 | 109.7° | 170.0° |
| N6 | C13 | C12 | H12 | 55.1° | 179.1° |
| N6 | C13 | C12 | H12A | 175.1° | 60.8° |
| N6 | C13 | H13 | H13A | 118.3° | 120.1° |
| C13 | N6 | C14 | H14 | 149.4° | 58.2° |
| C13 | N6 | C14 | H14A | 90.6° | 178.2° |
| C13 | N6 | C16 | H16 | 130.4° | 50.0° |
| C13 | N6 | C16 | H16A | 10.3° | 70.0° |
| N6 | C14 | C15 | C11 | 32.1° | 59.2° |
| C14 | N6 | C13 | C12 | 45.7° | 61.8° |
| N6 | C14 | C15 | H14 | 120.0° | 120.0° |
| N6 | C14 | C15 | H14A | 120.0° | 120.1° |
| C14 | N6 | C16 | C27 | 24.0° | 65.8° |
| C14 | N6 | C13 | H13 | 74.3° | 178.2° |
| C14 | N6 | C13 | H13A | 165.7° | 58.2° |
| N6 | C14 | H14 | H14A | 117.1° | 120.1° |
| N6 | C14 | C15 | H15 | 152.1° | 60.8° |
| N6 | C14 | C15 | H15A | 87.9° | 179.1° |
| C14 | N6 | C16 | H16 | 96.0° | 174.3° |
| C14 | N6 | C16 | H16A | 144.0° | 54.2° |
| C16 | N6 | C13 | C12 | 177.8° | 62.4° |
| C16 | N6 | C14 | C15 | 161.7° | 62.4° |
| N6 | C16 | C27 | H16 | 120.0° | 120.0° |
| N6 | C16 | C27 | H16A | 120.0° | 120.0° |
| N6 | C16 | C27 | N28 | 144.8° | 180.0° |
| C16 | N6 | C13 | H13 | 62.2° | 57.6° |
| C16 | N6 | C13 | H13A | 57.8° | 177.7° |
| C16 | N6 | C14 | H14 | 78.3° | 177.6° |
| C16 | N6 | C14 | H14A | 41.7° | 57.6° |
| N6 | C16 | H16 | H16A | 115.0° | 120.0° |
| N6 | C16 | C27 | H27 | 95.2° | 60.0° |
| N6 | C16 | C27 | H27A | 24.8° | 60.0° |
| N8 | C19 | N9 | N10 | 179.5° | 180.0° |
| N8 | C19 | N10 | C20 | 1.7° | 0.5° |
| C19 | N8 | C25 | N12 | 179.0° | 179.1° |
| C19 | N8 | C25 | C26 | 1.0° | 0.8° |
| N8 | C19 | N9 | HN9 | 0.0° | 0.0° |
| N8 | C19 | N9 | HN9A | 180.0° | 180.0° |
| N8 | C19 | N10 | HN10 | 178.3° | 179.5° |
| C25 | N8 | C19 | N9 | 179.4° | 179.6° |
| C25 | N8 | C19 | N10 | 1.1° | 0.4° |
| N8 | C25 | C26 | N11 | 179.8° | 179.2° |
| N8 | C25 | N12 | C22 | 179.1° | 151.5° |
| N8 | C25 | N12 | C26 | 180.0° | 179.9° |
| N8 | C25 | C26 | C20 | 1.3° | 1.9° |
| N8 | C25 | N12 | HN12 | 60.9° | 28.5° |
| N9 | C19 | N10 | C20 | 178.8° | 179.5° |
| C19 | N9 | HN9 | HN9A | 180.0° | 179.9° |
| N9 | C19 | N10 | HN10 | 1.2° | 0.5° |
| C19 | N10 | C20 | HN10 | 180.0° | 179.9° |
| C19 | N10 | C20 | C26 | 1.8° | 0.7° |
| N10 | C19 | N9 | HN9 | 179.6° | 180.0° |
| N10 | C19 | N9 | HN9A | 0.5° | 0.0° |
| N10 | C20 | C26 | N11 | 179.4° | 179.2° |
| N10 | C20 | C26 | C25 | 1.7° | 1.8° |
| C12 | C11 | C15 | H11 | 120.5° | 119.9° |
| C11 | C12 | C13 | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C12 | C11 | C15 | C14 | 48.0° | 57.6° |
| C11 | C12 | H12 | H12A | 119.9° | 120.1° |
| C11 | C12 | C13 | H13 | 55.1° | 179.2° |
| C11 | C12 | C13 | H13A | 175.1° | 60.8° |
| C12 | C11 | C15 | H15 | 168.0° | 62.3° |
| C12 | C11 | C15 | H15A | 72.1° | 177.6° |
| C15 | C11 | C12 | C13 | 62.7° | 57.7° |
| C11 | C15 | C14 | H15 | 120.0° | 119.9° |
| C11 | C15 | C14 | H15A | 120.0° | 119.9° |
| C15 | C11 | C12 | H12 | 57.2° | 177.6° |
| C15 | C11 | C12 | H12A | 177.3° | 62.3° |
| C11 | C15 | C14 | H14 | 152.1° | 60.8° |
| C11 | C15 | C14 | H14A | 87.9° | 179.3° |
| C11 | C15 | H15 | H15A | 117.0° | 120.0° |
| N11 | C21 | C22 | N12 | 5.1° | 27.6° |
| N11 | C21 | C18 | C22 | 178.8° | 179.9° |
| N11 | C21 | C18 | N28 | 31.0° | 5.9° |
| C21 | N11 | C26 | C20 | 179.5° | 168.6° |
| N11 | C21 | C22 | C23 | 115.3° | 147.5° |
| N11 | C21 | C22 | C24 | 124.0° | 92.2° |
| C21 | N11 | C26 | C25 | 1.6° | 12.5° |
| N11 | C26 | C25 | N12 | 0.2° | 0.9° |
| C26 | N11 | C21 | C18 | 176.8° | 177.3° |
| N11 | C26 | C20 | C25 | 179.0° | 178.9° |
| C26 | N11 | C21 | C22 | 4.5° | 2.6° |
| C13 | C12 | C11 | H11 | 179.6° | 62.3° |
| C13 | C12 | H12 | H12A | 119.9° | 120.1° |
| C12 | C13 | H13 | H13A | 118.3° | 119.9° |
| C22 | N12 | C25 | HN12 | 120.0° | 180.0° |
| N12 | C22 | C21 | C18 | 176.3° | 152.3° |
| N12 | C22 | C21 | C23 | 120.4° | 119.9° |
| N12 | C22 | C21 | C24 | 118.9° | 119.8° |
| N12 | C22 | C23 | C24 | 115.6° | 120.3° |
| C22 | N12 | C25 | C26 | 0.9° | 28.6° |
| N12 | C22 | C23 | H23 | 180.0° | 50.2° |
| N12 | C22 | C23 | H23A | 60.0° | 170.3° |
| N12 | C22 | C23 | H23B | 60.0° | 69.7° |
| N12 | C22 | C24 | H24 | 180.0° | 60.0° |
| N12 | C22 | C24 | H24A | 60.0° | 180.0° |
| N12 | C22 | C24 | H24B | 60.0° | 60.0° |
| N12 | C25 | C26 | C20 | 178.6° | 178.1° |
| C25 | N12 | C22 | C21 | 3.1° | 39.6° |
| C25 | N12 | C22 | C23 | 123.6° | 159.5° |
| C25 | N12 | C22 | C24 | 122.1° | 80.2° |
| C14 | C15 | C11 | H11 | 168.4° | 62.3° |
| C15 | C14 | H14 | H14A | 117.0° | 119.9° |
| C14 | C15 | H15 | H15A | 117.0° | 120.1° |
| C16 | C27 | N28 | C18 | 147.6° | 180.0° |
| C16 | C27 | N28 | H27 | 120.0° | 120.0° |
| C16 | C27 | N28 | H27A | 120.0° | 120.0° |
| C27 | C16 | H16 | H16A | 115.0° | 120.0° |
| C16 | C27 | H27 | H27A | 118.9° | 120.0° |
| C16 | C27 | N28 | HN28 | 32.4° | 0.1° |
| C18 | C21 | C22 | C23 | 63.4° | 32.4° |
| C18 | C21 | C22 | C24 | 57.3° | 87.9° |
| C21 | C18 | N28 | C27 | 179.7° | 180.0° |
| C21 | C18 | N28 | HN28 | 0.3° | 0.0° |
| N28 | C18 | C21 | C22 | 150.2° | 173.9° |
| C18 | N28 | C27 | HN28 | 180.0° | 180.0° |
| C18 | N28 | C27 | H27 | 27.6° | 60.1° |
| C18 | N28 | C27 | H27A | 92.4° | 60.0° |
| C26 | C20 | N10 | HN10 | 178.2° | 179.4° |
| C21 | C22 | C23 | C24 | 121.8° | 120.2° |
| C21 | C22 | N12 | HN12 | 116.9° | 140.4° |
| C21 | C22 | C23 | H23 | 57.4° | 169.7° |
| C21 | C22 | C23 | H23A | 62.6° | 70.2° |
| C21 | C22 | C23 | H23B | 177.4° | 49.8° |
| C21 | C22 | C24 | H24 | 60.2° | 59.4° |
| C21 | C22 | C24 | H24A | 179.8° | 60.6° |
| C21 | C22 | C24 | H24B | 59.8° | 179.5° |
| C23 | C22 | N12 | HN12 | 116.4° | 20.5° |
| C22 | C23 | H23 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23B | 120.0° | 120.0° |
| C22 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C22 | C24 | H24 | 66.4° | 179.7° |
| C23 | C22 | C24 | H24A | 53.6° | 59.7° |
| C23 | C22 | C24 | H24B | 173.6° | 60.3° |
| C24 | C22 | N12 | HN12 | 2.1° | 99.8° |
| C24 | C22 | C23 | H23 | 64.4° | 70.0° |
| C24 | C22 | C23 | H23A | 175.6° | 50.0° |
| C24 | C22 | C23 | H23B | 55.6° | 170.0° |
| C22 | C24 | H24 | H24A | 120.0° | 120.0° |
| C22 | C24 | H24 | H24B | 120.0° | 120.0° |
| C22 | C24 | H24A | H24B | 120.0° | 119.9° |
| C26 | C25 | N12 | HN12 | 119.1° | 151.4° |
| N28 | C27 | C16 | H16 | 24.8° | 60.0° |
| N28 | C27 | C16 | H16A | 95.2° | 60.0° |
| N28 | C27 | H27 | H27A | 118.9° | 120.0° |
| H1 | C1 | C2 | H2 | 129.5° | 123.9° |
| H1 | C1 | C10 | H10 | 84.2° | 65.4° |
| H1 | C1 | C10 | H10A | 35.8° | 174.6° |
| H2 | C2 | O2 | HO2 | 55.7° | 57.4° |
| H2 | C2 | C3 | H3 | 8.7° | 21.4° |
| H3 | C3 | O3 | HO3 | 57.4° | 62.2° |
| H3 | C3 | C4 | H4 | 141.2° | 160.2° |
| H11 | C11 | C12 | H12 | 60.5° | 57.6° |
| H11 | C11 | C12 | H12A | 59.6° | 177.7° |
| H11 | C11 | C15 | H15 | 71.6° | 177.8° |
| H11 | C11 | C15 | H15A | 48.4° | 57.7° |
| H12 | C12 | C13 | H13 | 175.1° | 60.9° |
| H12 | C12 | C13 | H13A | 64.9° | 59.1° |
| H12A | C12 | C13 | H13 | 64.9° | 59.3° |
| H12A | C12 | C13 | H13A | 55.1° | 179.2° |
| H14 | C14 | C15 | H15 | 87.9° | 179.2° |
| H14 | C14 | C15 | H15A | 32.1° | 59.1° |
| H14A | C14 | C15 | H15 | 32.1° | 59.3° |
| H14A | C14 | C15 | H15A | 152.1° | 60.9° |
| H16 | C16 | C27 | H27 | 144.8° | 179.9° |
| H16 | C16 | C27 | H27A | 95.1° | 60.0° |
| H16A | C16 | C27 | H27 | 24.8° | 60.0° |
| H16A | C16 | C27 | H27A | 144.9° | 180.0° |
| H23 | C23 | H23A | H23B | 120.0° | 119.9° |
| H24 | C24 | H24A | H24B | 120.0° | 120.1° |
| H27 | C27 | N28 | HN28 | 152.4° | 119.9° |
| H27A | C27 | N28 | HN28 | 87.6° | 120.0° |
