J1A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| C10 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.44Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | N1 | sing | 1.46Å | 1.42Å | |
| N1 | C9 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| O1 | C4 | sing | 1.44Å | 1.41Å | |
| C10 | S1 | sing | 1.81Å | 1.81Å | |
| S1 | C11 | sing | 1.81Å | 1.85Å | |
| O2 | C2 | sing | 1.43Å | 1.38Å | |
| C2 | C3 | sing | 1.55Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | doub | 1.30Å | 1.32Å | Aromatic |
| C6 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.55Å | 1.57Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | N3 | sing | 1.38Å | 1.35Å | |
| 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 | |
| C8 | N4 | doub | 1.32Å | 1.37Å | Aromatic |
| N4 | C7 | sing | 1.33Å | 1.39Å | Aromatic |
| O4 | C20 | doub | 1.22Å | 1.21Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | C9 | doub | 1.33Å | 1.36Å | Aromatic |
| N5 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.39Å | Aromatic |
| C13 | N6 | sing | 1.47Å | 1.50Å | |
| N6 | C14 | sing | 1.47Å | 1.49Å | |
| N6 | C16 | sing | 1.47Å | 1.49Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | N8 | sing | 1.35Å | 1.39Å | |
| N8 | C19 | doub | 1.31Å | 1.37Å | |
| C19 | N9 | sing | 1.37Å | 1.38Å | |
| 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 | |
| C20 | N10 | sing | 1.35Å | 1.43Å | |
| N10 | C19 | sing | 1.36Å | 1.40Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C15 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | N11 | doub | 1.32Å | 1.37Å | Aromatic |
| N11 | C26 | sing | 1.33Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C22 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| N12 | C25 | sing | 1.33Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| 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 | C27 | sing | 1.53Å | 1.54Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| N28 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C21 | sing | 1.51Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C26 | C20 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.41Å | 1.43Å | Aromatic |
| N28 | C27 | sing | 1.47Å | 1.49Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 120.0° | 110.0° |
| C2 | C1 | O1 | 104.6° | 107.3° |
| C2 | C1 | H1 | 106.7° | 109.9° |
| C1 | C2 | O2 | 113.4° | 110.5° |
| C1 | C2 | C3 | 103.5° | 104.1° |
| C1 | C2 | H2 | 110.4° | 110.5° |
| C10 | C1 | O1 | 112.2° | 109.9° |
| C10 | C1 | H1 | 98.3° | 109.9° |
| C1 | C10 | S1 | 120.4° | 109.4° |
| C1 | C10 | H10 | 106.0° | 109.5° |
| C1 | C10 | H10A | 106.0° | 109.5° |
| O1 | C1 | H1 | 115.5° | 109.9° |
| C1 | O1 | C4 | 104.2° | 107.0° |
| C4 | N1 | C9 | 128.7° | 126.2° |
| C4 | N1 | C5 | 123.9° | 126.3° |
| N1 | C4 | O1 | 105.7° | 110.6° |
| N1 | C4 | C3 | 116.4° | 110.6° |
| N1 | C4 | H4 | 106.5° | 110.7° |
| C9 | N1 | C5 | 107.4° | 107.4° |
| N1 | C9 | N5 | 131.3° | 134.9° |
| N1 | C9 | C6 | 103.2° | 106.0° |
| N1 | C5 | N2 | 112.3° | 110.0° |
| N1 | C5 | H5 | 123.8° | 125.0° |
| O1 | C4 | C3 | 106.5° | 103.5° |
| O1 | C4 | H4 | 116.4° | 110.6° |
| C10 | S1 | C11 | 106.4° | 103.0° |
| S1 | C10 | H10 | 105.9° | 109.5° |
| S1 | C10 | H10A | 106.0° | 109.5° |
| S1 | C11 | C12 | 109.7° | 109.5° |
| S1 | C11 | C15 | 108.5° | 109.5° |
| S1 | C11 | H11 | 110.4° | 109.5° |
| O2 | C2 | C3 | 107.7° | 110.4° |
| O2 | C2 | H2 | 106.3° | 110.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 115.8° | 110.5° |
| C2 | C3 | O3 | 114.8° | 110.9° |
| C2 | C3 | C4 | 101.0° | 102.1° |
| C2 | C3 | H3 | 112.8° | 110.9° |
| C5 | N2 | C6 | 105.3° | 109.4° |
| N2 | C5 | H5 | 123.8° | 125.0° |
| N2 | C6 | C9 | 111.8° | 107.1° |
| N2 | C6 | C7 | 130.2° | 134.7° |
| O3 | C3 | C4 | 112.6° | 110.9° |
| O3 | C3 | H3 | 101.3° | 110.8° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 115.0° | 110.9° |
| C3 | C4 | H4 | 105.8° | 110.6° |
| C7 | N3 | HN3 | 109.5° | 119.9° |
| C7 | N3 | HN3A | 109.5° | 120.1° |
| N3 | C7 | N4 | 123.4° | 120.8° |
| N3 | C7 | C6 | 117.9° | 120.7° |
| HN3 | N3 | HN3A | 109.4° | 120.0° |
| C8 | N4 | C7 | 116.9° | 121.2° |
| N4 | C8 | N5 | 129.3° | 122.5° |
| N4 | C8 | H8 | 115.4° | 118.7° |
| N4 | C7 | C6 | 118.8° | 118.4° |
| O4 | C20 | N10 | 117.8° | 121.3° |
| O4 | C20 | C26 | 127.3° | 121.2° |
| C9 | N5 | C8 | 111.5° | 120.6° |
| N5 | C9 | C6 | 125.5° | 119.1° |
| N5 | C8 | H8 | 115.4° | 118.8° |
| C9 | C6 | C7 | 118.0° | 118.1° |
| C13 | N6 | C14 | 114.2° | 111.2° |
| C13 | N6 | C16 | 114.6° | 111.0° |
| N6 | C13 | C12 | 116.1° | 109.5° |
| N6 | C13 | H13 | 107.3° | 109.4° |
| N6 | C13 | H13A | 107.3° | 109.4° |
| C14 | N6 | C16 | 112.7° | 111.0° |
| N6 | C14 | C15 | 113.8° | 109.5° |
| N6 | C14 | H14 | 108.0° | 109.5° |
| N6 | C14 | H14A | 108.1° | 109.5° |
| N6 | C16 | C27 | 106.0° | 109.5° |
| N6 | C16 | H16 | 110.7° | 109.5° |
| N6 | C16 | H16A | 110.7° | 109.5° |
| C25 | N8 | C19 | 115.7° | 121.7° |
| N8 | C25 | N12 | 114.9° | 121.5° |
| N8 | C25 | C26 | 123.7° | 119.2° |
| N8 | C19 | N9 | 116.4° | 118.4° |
| N8 | C19 | N10 | 125.0° | 123.1° |
| C19 | N9 | HN9 | 120.0° | 120.1° |
| C19 | N9 | HN9A | 120.0° | 120.0° |
| N9 | C19 | N10 | 118.6° | 118.5° |
| HN9 | N9 | HN9A | 120.0° | 120.0° |
| H10 | C10 | H10A | 112.7° | 109.5° |
| C20 | N10 | C19 | 121.0° | 120.4° |
| C20 | N10 | HN10 | 119.5° | 119.8° |
| N10 | C20 | C26 | 115.0° | 117.5° |
| C19 | N10 | HN10 | 119.5° | 119.8° |
| C12 | C11 | C15 | 110.6° | 109.2° |
| C12 | C11 | H11 | 108.3° | 109.6° |
| C11 | C12 | C13 | 109.2° | 109.3° |
| C11 | C12 | H12 | 109.6° | 109.5° |
| C11 | C12 | H12A | 109.6° | 109.5° |
| C15 | C11 | H11 | 109.5° | 109.6° |
| C11 | C15 | C14 | 109.3° | 109.2° |
| C11 | C15 | H15 | 109.6° | 109.5° |
| C11 | C15 | H15A | 109.5° | 109.5° |
| C21 | N11 | C26 | 114.4° | 119.6° |
| N11 | C21 | C18 | 123.3° | 119.7° |
| N11 | C21 | C22 | 123.0° | 120.6° |
| N11 | C26 | C20 | 118.0° | 121.8° |
| N11 | C26 | C25 | 122.4° | 120.2° |
| C13 | C12 | H12 | 109.5° | 109.5° |
| C13 | C12 | H12A | 109.5° | 109.5° |
| C12 | C13 | H13 | 107.3° | 109.5° |
| C12 | C13 | H13A | 107.3° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.6° |
| C22 | N12 | C25 | 115.5° | 119.7° |
| N12 | C22 | C21 | 123.3° | 120.7° |
| N12 | C22 | H22 | 118.3° | 119.6° |
| N12 | C25 | C26 | 121.4° | 119.4° |
| H13 | C13 | H13A | 111.5° | 109.5° |
| C15 | C14 | H14 | 108.1° | 109.5° |
| C15 | C14 | H14A | 108.1° | 109.4° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.5° | 109.5° |
| H14 | C14 | H14A | 110.8° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.6° |
| C27 | C16 | H16 | 110.6° | 109.5° |
| C27 | C16 | H16A | 110.7° | 109.5° |
| C16 | C27 | N28 | 105.3° | 109.5° |
| C16 | C27 | H27 | 110.9° | 109.5° |
| C16 | C27 | H27A | 110.9° | 109.5° |
| H16 | C16 | H16A | 108.2° | 109.5° |
| N28 | C18 | C21 | 115.0° | 109.5° |
| N28 | C18 | H18 | 107.7° | 109.5° |
| N28 | C18 | H18A | 107.7° | 109.5° |
| C18 | N28 | C27 | 111.7° | 111.0° |
| C18 | N28 | HN28 | 108.7° | 110.9° |
| C21 | C18 | H18 | 107.6° | 109.4° |
| C21 | C18 | H18A | 107.6° | 109.5° |
| C18 | C21 | C22 | 113.7° | 119.7° |
| H18 | C18 | H18A | 111.2° | 109.4° |
| C20 | C26 | C25 | 119.6° | 118.1° |
| C21 | C22 | H22 | 118.3° | 119.7° |
| N28 | C27 | H27 | 110.9° | 109.5° |
| N28 | C27 | H27A | 110.9° | 109.5° |
| C27 | N28 | HN28 | 108.7° | 111.0° |
| H27 | C27 | H27A | 108.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | O1 | 123.3° | 117.9° |
| C2 | C1 | C10 | H1 | 114.8° | 121.1° |
| C2 | C1 | O1 | H1 | 117.0° | 119.5° |
| C2 | C1 | O1 | C4 | 44.8° | 26.5° |
| C2 | C1 | C10 | S1 | 58.8° | 175.6° |
| C1 | C2 | O2 | C3 | 113.9° | 114.7° |
| C1 | C2 | O2 | H2 | 121.4° | 122.7° |
| C1 | C2 | C3 | H2 | 120.8° | 118.7° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 118.7° | 139.1° |
| C1 | C2 | C3 | C4 | 2.6° | 20.8° |
| C1 | C2 | C3 | H3 | 125.9° | 97.4° |
| C2 | C1 | C10 | H10 | 178.8° | 55.7° |
| C2 | C1 | C10 | H10A | 61.2° | 64.4° |
| C10 | C1 | O1 | H1 | 111.5° | 121.0° |
| C10 | C1 | O1 | C4 | 176.4° | 146.1° |
| C1 | C10 | S1 | H10 | 120.0° | 120.0° |
| C1 | C10 | S1 | H10A | 120.0° | 120.0° |
| C1 | C10 | S1 | C11 | 115.4° | 180.0° |
| C10 | C1 | C2 | O2 | 88.4° | 119.8° |
| C10 | C1 | C2 | C3 | 155.1° | 121.6° |
| C10 | C1 | C2 | H2 | 30.7° | 2.9° |
| C1 | C10 | H10 | H10A | 115.5° | 120.0° |
| C1 | O1 | C4 | N1 | 168.0° | 158.5° |
| O1 | C1 | C10 | S1 | 64.5° | 66.4° |
| O1 | C1 | C2 | O2 | 144.7° | 120.7° |
| O1 | C1 | C2 | C3 | 28.3° | 2.1° |
| O1 | C1 | C2 | H2 | 96.2° | 116.6° |
| C1 | O1 | C4 | C3 | 43.7° | 40.1° |
| C1 | O1 | C4 | H4 | 73.9° | 78.4° |
| O1 | C1 | C10 | H10 | 55.5° | 173.6° |
| O1 | C1 | C10 | H10A | 175.5° | 53.5° |
| H1 | C1 | O1 | C4 | 72.1° | 92.9° |
| H1 | C1 | C10 | S1 | 173.6° | 54.6° |
| H1 | C1 | C2 | O2 | 21.8° | 1.2° |
| H1 | C1 | C2 | C3 | 94.6° | 117.4° |
| H1 | C1 | C2 | H2 | 141.0° | 123.9° |
| H1 | C1 | C10 | H10 | 66.4° | 65.4° |
| H1 | C1 | C10 | H10A | 53.6° | 174.5° |
| C4 | N1 | C9 | C5 | 177.7° | 179.8° |
| N1 | C4 | O1 | C3 | 124.4° | 118.5° |
| N1 | C4 | O1 | H4 | 118.0° | 123.1° |
| N1 | C4 | C3 | C2 | 141.3° | 155.5° |
| C4 | N1 | C5 | N2 | 178.5° | 179.8° |
| N1 | C4 | C3 | O3 | 95.8° | 86.3° |
| N1 | C4 | C3 | H4 | 118.1° | 123.0° |
| N1 | C4 | C3 | H3 | 19.6° | 37.3° |
| C4 | N1 | C5 | H5 | 1.4° | 0.3° |
| C4 | N1 | C9 | N5 | 1.9° | 0.2° |
| C4 | N1 | C9 | C6 | 177.9° | 179.8° |
| C9 | N1 | C4 | O1 | 66.0° | 156.5° |
| C9 | N1 | C5 | N2 | 0.7° | 0.0° |
| N1 | C9 | C6 | N2 | 0.2° | 0.1° |
| C9 | N1 | C4 | C3 | 51.9° | 89.5° |
| C9 | N1 | C4 | H4 | 169.6° | 33.5° |
| C9 | N1 | C5 | H5 | 179.3° | 180.0° |
| N1 | C9 | N5 | C6 | 179.9° | 180.0° |
| N1 | C9 | N5 | C8 | 180.0° | 180.0° |
| N1 | C9 | C6 | C7 | 180.0° | 180.0° |
| C5 | N1 | C4 | O1 | 111.4° | 23.8° |
| N1 | C5 | N2 | H5 | 180.0° | 180.0° |
| N1 | C5 | N2 | C6 | 0.8° | 0.0° |
| C5 | N1 | C4 | C3 | 130.7° | 90.2° |
| C5 | N1 | C4 | H4 | 13.1° | 146.8° |
| C5 | N1 | C9 | N5 | 179.6° | 180.0° |
| C5 | N1 | C9 | C6 | 0.2° | 0.0° |
| O1 | C4 | C3 | C2 | 23.9° | 37.0° |
| O1 | C4 | C3 | O3 | 146.7° | 155.2° |
| O1 | C4 | C3 | H4 | 124.5° | 118.5° |
| O1 | C4 | C3 | H3 | 97.9° | 81.2° |
| S1 | C10 | H10 | H10A | 115.5° | 120.0° |
| C10 | S1 | C11 | C12 | 133.0° | 65.3° |
| C10 | S1 | C11 | C15 | 106.1° | 175.0° |
| C10 | S1 | C11 | H11 | 13.8° | 54.8° |
| C11 | S1 | C10 | H10 | 4.6° | 60.0° |
| C11 | S1 | C10 | H10A | 124.6° | 60.0° |
| S1 | C11 | C12 | C15 | 119.6° | 119.9° |
| S1 | C11 | C12 | H11 | 120.5° | 120.1° |
| S1 | C11 | C15 | H11 | 120.5° | 120.1° |
| S1 | C11 | C12 | C13 | 176.6° | 177.6° |
| S1 | C11 | C12 | H12 | 63.4° | 62.5° |
| S1 | C11 | C12 | H12A | 56.6° | 57.7° |
| S1 | C11 | C15 | C14 | 178.5° | 177.6° |
| S1 | C11 | C15 | H15 | 61.5° | 57.6° |
| S1 | C11 | C15 | H15A | 58.5° | 62.5° |
| O2 | C2 | C3 | H2 | 118.8° | 122.7° |
| O2 | C2 | C3 | O3 | 1.7° | 20.4° |
| O2 | C2 | C3 | C4 | 123.0° | 97.8° |
| O2 | C2 | C3 | H3 | 113.7° | 144.0° |
| C3 | C2 | O2 | HO2 | 66.1° | 65.3° |
| C2 | C3 | O3 | C4 | 114.8° | 112.7° |
| C2 | C3 | O3 | H3 | 121.9° | 123.6° |
| C2 | C3 | C4 | H3 | 121.8° | 118.2° |
| C2 | C3 | O3 | HO3 | 180.0° | 61.4° |
| C2 | C3 | C4 | H4 | 100.6° | 81.5° |
| H2 | C2 | O2 | HO2 | 58.6° | 57.4° |
| H2 | C2 | C3 | O3 | 120.4° | 102.2° |
| H2 | C2 | C3 | C4 | 118.2° | 139.5° |
| H2 | C2 | C3 | H3 | 5.1° | 21.3° |
| C5 | N2 | C6 | C9 | 0.7° | 0.1° |
| C5 | N2 | C6 | C7 | 179.7° | 179.9° |
| N2 | C6 | C7 | N3 | 0.9° | 0.1° |
| N2 | C6 | C7 | N4 | 179.3° | 180.0° |
| C6 | N2 | C5 | H5 | 179.1° | 179.9° |
| N2 | C6 | C9 | N5 | 179.9° | 180.0° |
| N2 | C6 | C9 | C7 | 179.7° | 179.9° |
| O3 | C3 | C4 | H3 | 115.4° | 123.6° |
| O3 | C3 | C4 | H4 | 22.3° | 36.7° |
| C4 | C3 | O3 | HO3 | 65.2° | 174.2° |
| H3 | C3 | O3 | HO3 | 58.2° | 62.1° |
| H3 | C3 | C4 | H4 | 137.6° | 160.4° |
| C7 | N3 | HN3 | HN3A | 120.0° | 180.0° |
| N3 | C7 | N4 | C8 | 179.1° | 180.0° |
| N3 | C7 | N4 | C6 | 178.4° | 179.9° |
| N3 | C7 | C6 | C9 | 178.8° | 180.0° |
| HN3 | N3 | C7 | N4 | 0.0° | 0.0° |
| HN3 | N3 | C7 | C6 | 178.4° | 180.0° |
| HN3A | N3 | C7 | N4 | 120.0° | 180.0° |
| HN3A | N3 | C7 | C6 | 58.4° | 0.0° |
| N4 | C8 | N5 | C9 | 0.3° | 0.0° |
| N4 | C8 | N5 | H8 | 180.0° | 180.0° |
| C8 | N4 | C7 | C6 | 0.7° | 0.1° |
| C7 | N4 | C8 | N5 | 0.7° | 0.0° |
| N4 | C7 | C6 | C9 | 0.3° | 0.1° |
| C7 | N4 | C8 | H8 | 179.3° | 180.0° |
| O4 | C20 | N10 | C26 | 179.7° | 180.0° |
| O4 | C20 | N10 | C19 | 179.6° | 180.0° |
| O4 | C20 | N10 | HN10 | 0.4° | 0.0° |
| O4 | C20 | C26 | N11 | 0.3° | 0.0° |
| O4 | C20 | C26 | C25 | 180.0° | 180.0° |
| N5 | C9 | C6 | C7 | 0.1° | 0.1° |
| C9 | N5 | C8 | H8 | 179.7° | 179.9° |
| C8 | N5 | C9 | C6 | 0.2° | 0.0° |
| C13 | N6 | C14 | C16 | 133.0° | 124.1° |
| N6 | C13 | C12 | C11 | 48.2° | 59.2° |
| N6 | C13 | C12 | H13 | 120.0° | 120.0° |
| N6 | C13 | C12 | H13A | 120.0° | 120.0° |
| N6 | C13 | C12 | H12 | 168.2° | 179.1° |
| N6 | C13 | C12 | H12A | 71.8° | 60.7° |
| N6 | C13 | H13 | H13A | 117.3° | 119.9° |
| C13 | N6 | C14 | C15 | 46.0° | 61.8° |
| C13 | N6 | C14 | H14 | 74.0° | 58.3° |
| C13 | N6 | C14 | H14A | 166.0° | 178.3° |
| C13 | N6 | C16 | C27 | 100.2° | 65.8° |
| C13 | N6 | C16 | H16 | 19.8° | 54.2° |
| C13 | N6 | C16 | H16A | 139.8° | 174.2° |
| N6 | C14 | C15 | C11 | 55.1° | 59.3° |
| C14 | N6 | C13 | C12 | 43.0° | 61.7° |
| C14 | N6 | C13 | H13 | 162.9° | 178.2° |
| C14 | N6 | C13 | H13A | 77.1° | 58.2° |
| N6 | C14 | C15 | H14 | 120.0° | 120.0° |
| N6 | C14 | C15 | H14A | 120.0° | 119.9° |
| N6 | C14 | H14 | H14A | 118.2° | 120.0° |
| N6 | C14 | C15 | H15 | 65.0° | 60.7° |
| N6 | C14 | C15 | H15A | 175.0° | 179.1° |
| C14 | N6 | C16 | C27 | 127.0° | 170.0° |
| C14 | N6 | C16 | H16 | 113.0° | 70.0° |
| C14 | N6 | C16 | H16A | 7.0° | 50.0° |
| C16 | N6 | C13 | C12 | 89.2° | 62.3° |
| C16 | N6 | C13 | H13 | 30.8° | 57.7° |
| C16 | N6 | C13 | H13A | 150.8° | 177.7° |
| C16 | N6 | C14 | C15 | 87.0° | 62.3° |
| C16 | N6 | C14 | H14 | 153.0° | 177.7° |
| C16 | N6 | C14 | H14A | 33.0° | 57.6° |
| N6 | C16 | C27 | H16 | 120.0° | 120.0° |
| N6 | C16 | C27 | H16A | 120.0° | 120.0° |
| N6 | C16 | H16 | H16A | 121.5° | 120.0° |
| N6 | C16 | C27 | N28 | 82.3° | 180.0° |
| N6 | C16 | C27 | H27 | 157.7° | 60.0° |
| N6 | C16 | C27 | H27A | 37.8° | 60.0° |
| C25 | N8 | C19 | N9 | 179.8° | 180.0° |
| C25 | N8 | C19 | N10 | 0.3° | 0.0° |
| N8 | C25 | C26 | N11 | 179.8° | 180.0° |
| N8 | C25 | N12 | C22 | 179.8° | 180.0° |
| N8 | C25 | N12 | C26 | 179.6° | 179.9° |
| N8 | C25 | C26 | C20 | 0.5° | 0.0° |
| N8 | C19 | N9 | N10 | 180.0° | 180.0° |
| N8 | C19 | N9 | HN9 | 0.0° | 0.0° |
| N8 | C19 | N9 | HN9A | 180.0° | 180.0° |
| N8 | C19 | N10 | C20 | 0.5° | 0.1° |
| N8 | C19 | N10 | HN10 | 179.5° | 180.0° |
| C19 | N8 | C25 | N12 | 179.8° | 179.9° |
| C19 | N8 | C25 | C26 | 0.2° | 0.0° |
| C19 | N9 | HN9 | HN9A | 180.0° | 180.0° |
| N9 | C19 | N10 | C20 | 179.6° | 180.0° |
| N9 | C19 | N10 | HN10 | 0.4° | 0.0° |
| HN9 | N9 | C19 | N10 | 179.9° | 180.0° |
| HN9A | N9 | C19 | N10 | 0.0° | 0.1° |
| C20 | N10 | C19 | HN10 | 180.0° | 180.0° |
| N10 | C20 | C26 | N11 | 180.0° | 180.0° |
| N10 | C20 | C26 | C25 | 0.3° | 0.0° |
| C19 | N10 | C20 | C26 | 0.2° | 0.0° |
| HN10 | N10 | C20 | C26 | 179.8° | 180.0° |
| C12 | C11 | C15 | H11 | 119.2° | 120.0° |
| C11 | C12 | C13 | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | H12A | 120.0° | 119.9° |
| C11 | C12 | H12 | H12A | 120.1° | 120.1° |
| C11 | C12 | C13 | H13 | 168.2° | 179.2° |
| C11 | C12 | C13 | H13A | 71.8° | 60.8° |
| C12 | C11 | C15 | C14 | 61.2° | 57.7° |
| C12 | C11 | C15 | H15 | 58.8° | 62.2° |
| C12 | C11 | C15 | H15A | 178.8° | 177.6° |
| C15 | C11 | C12 | C13 | 57.0° | 57.7° |
| C15 | C11 | C12 | H12 | 177.0° | 177.6° |
| C15 | C11 | C12 | H12A | 63.0° | 62.2° |
| C11 | C15 | C14 | H15 | 120.0° | 120.0° |
| C11 | C15 | C14 | H15A | 120.0° | 119.9° |
| C11 | C15 | C14 | H14 | 64.9° | 60.8° |
| C11 | C15 | C14 | H14A | 175.1° | 179.2° |
| C11 | C15 | H15 | H15A | 120.1° | 120.1° |
| H11 | C11 | C12 | C13 | 62.9° | 62.3° |
| H11 | C11 | C12 | H12 | 57.1° | 57.7° |
| H11 | C11 | C12 | H12A | 177.1° | 177.8° |
| H11 | C11 | C15 | C14 | 58.0° | 62.3° |
| H11 | C11 | C15 | H15 | 178.0° | 177.8° |
| H11 | C11 | C15 | H15A | 62.0° | 57.6° |
| N11 | C21 | C22 | N12 | 1.3° | 0.1° |
| N11 | C21 | C18 | N28 | 15.5° | 85.0° |
| N11 | C21 | C18 | C22 | 179.1° | 179.9° |
| N11 | C21 | C18 | H18 | 104.5° | 35.0° |
| N11 | C21 | C18 | H18A | 135.5° | 155.0° |
| C21 | N11 | C26 | C20 | 179.2° | 180.0° |
| N11 | C21 | C22 | H22 | 178.7° | 180.0° |
| C21 | N11 | C26 | C25 | 0.5° | 0.0° |
| N11 | C26 | C25 | N12 | 0.2° | 0.0° |
| C26 | N11 | C21 | C18 | 179.7° | 180.0° |
| N11 | C26 | C20 | C25 | 179.7° | 180.0° |
| C26 | N11 | C21 | C22 | 1.2° | 0.0° |
| C13 | C12 | H12 | H12A | 120.1° | 120.1° |
| C12 | C13 | H13 | H13A | 117.3° | 120.0° |
| H12 | C12 | C13 | H13 | 71.8° | 60.9° |
| H12 | C12 | C13 | H13A | 48.2° | 59.1° |
| H12A | C12 | C13 | H13 | 48.2° | 59.3° |
| H12A | C12 | C13 | H13A | 168.1° | 179.3° |
| N12 | C22 | C21 | C18 | 179.6° | 180.0° |
| N12 | C22 | C21 | H22 | 180.0° | 179.9° |
| C22 | N12 | C25 | C26 | 0.2° | 0.1° |
| N12 | C25 | C26 | C20 | 179.9° | 180.0° |
| C25 | N12 | C22 | C21 | 0.5° | 0.1° |
| C25 | N12 | C22 | H22 | 179.5° | 180.0° |
| C15 | C14 | H14 | H14A | 118.2° | 119.9° |
| C14 | C15 | H15 | H15A | 120.1° | 120.1° |
| H14 | C14 | C15 | H15 | 175.0° | 179.3° |
| H14 | C14 | C15 | H15A | 55.0° | 59.1° |
| H14A | C14 | C15 | H15 | 55.0° | 59.2° |
| H14A | C14 | C15 | H15A | 64.9° | 60.9° |
| C27 | C16 | H16 | H16A | 121.4° | 120.0° |
| C16 | C27 | N28 | C18 | 145.5° | 180.0° |
| C16 | C27 | N28 | H27 | 120.0° | 120.0° |
| C16 | C27 | N28 | H27A | 120.0° | 120.0° |
| C16 | C27 | H27 | H27A | 121.7° | 120.0° |
| C16 | C27 | N28 | HN28 | 94.4° | 56.1° |
| H16 | C16 | C27 | N28 | 37.8° | 60.0° |
| H16 | C16 | C27 | H27 | 82.2° | 180.0° |
| H16 | C16 | C27 | H27A | 157.8° | 60.0° |
| H16A | C16 | C27 | N28 | 157.7° | 60.0° |
| H16A | C16 | C27 | H27 | 37.7° | 60.0° |
| H16A | C16 | C27 | H27A | 82.3° | 180.0° |
| N28 | C18 | C21 | H18 | 120.0° | 120.0° |
| N28 | C18 | C21 | H18A | 120.0° | 120.0° |
| N28 | C18 | H18 | H18A | 117.8° | 120.0° |
| N28 | C18 | C21 | C22 | 163.6° | 95.1° |
| C18 | N28 | C27 | HN28 | 120.0° | 123.9° |
| C18 | N28 | C27 | H27 | 94.4° | 60.0° |
| C18 | N28 | C27 | H27A | 25.5° | 60.0° |
| C21 | C18 | H18 | H18A | 117.7° | 120.0° |
| C18 | C21 | C22 | H22 | 0.5° | 0.1° |
| C21 | C18 | N28 | C27 | 81.8° | 180.0° |
| C21 | C18 | N28 | HN28 | 38.2° | 56.0° |
| H18 | C18 | C21 | C22 | 76.4° | 144.9° |
| H18 | C18 | N28 | C27 | 38.2° | 60.0° |
| H18 | C18 | N28 | HN28 | 158.2° | 176.0° |
| H18A | C18 | C21 | C22 | 43.6° | 25.0° |
| H18A | C18 | N28 | C27 | 158.3° | 60.0° |
| H18A | C18 | N28 | HN28 | 81.7° | 64.0° |
| N28 | C27 | H27 | H27A | 121.6° | 120.0° |
| H27 | C27 | N28 | HN28 | 25.6° | 63.9° |
| H27A | C27 | N28 | HN28 | 145.5° | 176.0° |
