3O2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | S1 | sing | 1.81Å | 1.80Å | |
| C1 | C4 | sing | 1.53Å | 1.52Å | |
| F1 | C26 | sing | 1.40Å | 1.36Å | |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| C9 | O1 | sing | 1.43Å | 1.42Å | |
| C8 | O1 | sing | 1.43Å | 1.42Å | |
| C10 | S1 | sing | 1.76Å | 1.78Å | |
| S1 | O3 | doub | 1.42Å | 1.45Å | |
| S1 | O2 | doub | 1.42Å | 1.45Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| F2 | C26 | sing | 1.40Å | 1.36Å | |
| O6 | N2 | sing | 1.42Å | 1.41Å | |
| C6 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C26 | F3 | sing | 1.40Å | 1.36Å | |
| N6 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N3 | C18 | sing | 1.46Å | 1.45Å | |
| N3 | N4 | sing | 1.29Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N5 | N4 | doub | 1.29Å | 1.32Å | Aromatic |
| C16 | O4 | sing | 1.43Å | 1.42Å | |
| O4 | C11 | sing | 1.36Å | 1.39Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C19 | N5 | sing | 1.34Å | 1.37Å | Aromatic |
| O5 | C6 | doub | 1.21Å | 1.23Å | |
| N6 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C26 | O7 | sing | 1.43Å | 1.42Å | |
| O7 | C21 | sing | 1.36Å | 1.38Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C13 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.48Å | 1.44Å | Aromatic |
| C22 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C5 | 108.7° | 109.6° |
| C6 | C1 | S1 | 112.3° | 109.5° |
| C6 | C1 | C4 | 109.3° | 109.5° |
| C1 | C6 | N2 | 113.0° | 120.0° |
| C1 | C6 | O5 | 123.9° | 120.0° |
| C5 | C1 | S1 | 109.8° | 109.5° |
| C5 | C1 | C4 | 109.1° | 109.2° |
| C1 | C5 | C2 | 113.0° | 109.3° |
| C1 | C5 | H5 | 108.3° | 109.5° |
| C1 | C5 | H5A | 108.3° | 109.5° |
| S1 | C1 | C4 | 107.7° | 109.5° |
| C1 | S1 | C10 | 106.7° | 104.5° |
| C1 | S1 | O3 | 109.5° | 110.5° |
| C1 | S1 | O2 | 108.9° | 110.6° |
| C1 | C4 | C3 | 113.1° | 109.3° |
| C1 | C4 | H4 | 108.3° | 109.5° |
| C1 | C4 | H4A | 108.3° | 109.5° |
| F1 | C26 | F2 | 108.2° | 109.5° |
| F1 | C26 | F3 | 107.9° | 109.5° |
| F1 | C26 | O7 | 106.0° | 109.4° |
| C2 | N1 | C7 | 110.2° | 111.0° |
| C2 | N1 | C3 | 113.1° | 111.2° |
| N1 | C2 | C5 | 108.9° | 109.5° |
| N1 | C2 | H2 | 109.7° | 109.5° |
| N1 | C2 | H2A | 109.6° | 109.4° |
| C7 | N1 | C3 | 111.4° | 111.0° |
| N1 | C7 | C8 | 108.6° | 109.5° |
| N1 | C7 | H7 | 109.7° | 109.5° |
| N1 | C7 | H7A | 109.7° | 109.4° |
| N1 | C3 | C4 | 108.2° | 109.5° |
| N1 | C3 | H3 | 109.9° | 109.5° |
| N1 | C3 | H3A | 109.9° | 109.5° |
| C9 | O1 | C8 | 107.7° | 114.0° |
| O1 | C9 | H9 | 109.5° | 109.5° |
| O1 | C9 | H9A | 109.5° | 109.5° |
| O1 | C9 | H9B | 109.4° | 109.5° |
| O1 | C8 | C7 | 108.2° | 109.5° |
| O1 | C8 | H8 | 109.9° | 109.4° |
| O1 | C8 | H8A | 109.9° | 109.5° |
| C10 | S1 | O3 | 105.1° | 104.3° |
| C10 | S1 | O2 | 106.1° | 104.3° |
| S1 | C10 | C13 | 119.3° | 120.0° |
| S1 | C10 | C12 | 118.7° | 119.9° |
| O3 | S1 | O2 | 119.7° | 121.0° |
| C5 | C2 | H2 | 109.7° | 109.5° |
| C5 | C2 | H2A | 109.6° | 109.5° |
| C2 | C5 | H5 | 108.3° | 109.4° |
| C2 | C5 | H5A | 108.3° | 109.5° |
| H2 | C2 | H2A | 109.3° | 109.5° |
| F2 | C26 | F3 | 109.0° | 109.5° |
| F2 | C26 | O7 | 112.4° | 109.4° |
| O6 | N2 | C6 | 109.5° | 120.0° |
| O6 | N2 | HN2 | 125.2° | 120.0° |
| N2 | O6 | HO6 | 109.5° | 114.0° |
| C6 | N2 | HN2 | 125.2° | 120.0° |
| N2 | C6 | O5 | 123.2° | 120.0° |
| C4 | C3 | H3 | 109.9° | 109.4° |
| C4 | C3 | H3A | 109.9° | 109.4° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| C3 | C4 | H4A | 108.3° | 109.5° |
| H3 | C3 | H3A | 109.0° | 109.5° |
| F3 | C26 | O7 | 113.1° | 109.5° |
| N6 | N3 | C18 | 121.6° | 125.4° |
| N6 | N3 | N4 | 116.9° | 109.3° |
| N3 | N6 | C19 | 99.2° | 107.8° |
| C18 | N3 | N4 | 121.5° | 125.4° |
| N3 | C18 | C17 | 108.6° | 109.5° |
| N3 | C18 | H18 | 109.7° | 109.5° |
| N3 | C18 | H18A | 109.8° | 109.5° |
| N3 | N4 | N5 | 103.9° | 109.0° |
| H4 | C4 | H4A | 110.7° | 109.5° |
| N4 | N5 | C19 | 106.6° | 107.3° |
| C16 | O4 | C11 | 107.7° | 117.0° |
| O4 | C16 | C17 | 107.4° | 109.5° |
| O4 | C16 | H16 | 110.2° | 109.5° |
| O4 | C16 | H16A | 110.2° | 109.4° |
| O4 | C11 | C14 | 122.0° | 120.0° |
| O4 | C11 | C15 | 116.9° | 120.1° |
| H5 | C5 | H5A | 110.6° | 109.6° |
| N5 | C19 | N6 | 113.4° | 106.7° |
| N5 | C19 | C20 | 123.3° | 126.7° |
| N6 | C19 | C20 | 123.4° | 126.6° |
| C8 | C7 | H7 | 109.8° | 109.5° |
| C8 | C7 | H7A | 109.8° | 109.5° |
| C7 | C8 | H8 | 109.9° | 109.5° |
| C7 | C8 | H8A | 109.9° | 109.5° |
| H7 | C7 | H7A | 109.2° | 109.5° |
| C26 | O7 | C21 | 112.8° | 117.0° |
| O7 | C21 | C25 | 119.1° | 119.9° |
| O7 | C21 | C24 | 119.9° | 119.9° |
| H8 | C8 | H8A | 109.0° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.4° |
| C13 | C10 | C12 | 122.0° | 120.1° |
| C10 | C13 | C14 | 118.8° | 120.1° |
| C10 | C13 | H13 | 120.6° | 119.9° |
| C10 | C12 | C15 | 119.0° | 120.0° |
| C10 | C12 | H12 | 120.5° | 120.0° |
| C14 | C11 | C15 | 121.1° | 119.9° |
| C11 | C14 | C13 | 119.6° | 120.0° |
| C11 | C14 | H14 | 120.2° | 120.0° |
| C11 | C15 | C12 | 119.6° | 120.0° |
| C11 | C15 | H15 | 120.2° | 120.0° |
| C15 | C12 | H12 | 120.5° | 120.0° |
| C12 | C15 | H15 | 120.2° | 120.0° |
| C14 | C13 | H13 | 120.6° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C17 | C16 | H16 | 110.2° | 109.5° |
| C17 | C16 | H16A | 110.2° | 109.5° |
| C16 | C17 | C18 | 110.9° | 109.5° |
| C16 | C17 | H17 | 109.0° | 109.5° |
| C16 | C17 | H17A | 109.0° | 109.5° |
| H16 | C16 | H16A | 108.8° | 109.5° |
| C18 | C17 | H17 | 109.0° | 109.5° |
| C18 | C17 | H17A | 109.0° | 109.5° |
| C17 | C18 | H18 | 109.8° | 109.5° |
| C17 | C18 | H18A | 109.8° | 109.5° |
| H17 | C17 | H17A | 110.0° | 109.5° |
| H18 | C18 | H18A | 109.2° | 109.5° |
| C19 | C20 | C22 | 119.4° | 120.1° |
| C19 | C20 | C23 | 120.4° | 120.0° |
| C22 | C20 | C23 | 120.1° | 119.9° |
| C20 | C22 | C25 | 120.2° | 119.9° |
| C20 | C22 | H22 | 119.9° | 120.1° |
| C20 | C23 | C24 | 120.1° | 119.9° |
| C20 | C23 | H23 | 120.0° | 120.0° |
| C25 | C21 | C24 | 121.0° | 120.1° |
| C21 | C25 | C22 | 119.3° | 120.0° |
| C21 | C25 | H25 | 120.3° | 120.0° |
| C21 | C24 | C23 | 119.3° | 120.1° |
| C21 | C24 | H24 | 120.3° | 120.0° |
| C25 | C22 | H22 | 119.9° | 120.0° |
| C22 | C25 | H25 | 120.3° | 120.0° |
| C24 | C23 | H23 | 120.0° | 120.1° |
| C23 | C24 | H24 | 120.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C5 | S1 | 123.2° | 120.2° |
| C6 | C1 | C5 | C4 | 119.1° | 119.9° |
| C6 | C1 | S1 | C4 | 120.3° | 120.1° |
| C6 | C1 | S1 | C10 | 40.4° | 56.5° |
| C6 | C1 | S1 | O3 | 153.7° | 168.1° |
| C6 | C1 | S1 | O2 | 73.7° | 55.1° |
| C6 | C1 | C5 | C2 | 66.2° | 62.3° |
| C1 | C6 | N2 | O6 | 171.9° | 175.5° |
| C1 | C6 | N2 | O5 | 179.3° | 180.0° |
| C1 | C6 | N2 | HN2 | 8.0° | 4.5° |
| C6 | C1 | C4 | C3 | 64.9° | 62.3° |
| C6 | C1 | C4 | H4 | 175.1° | 177.7° |
| C6 | C1 | C4 | H4A | 55.1° | 57.6° |
| C6 | C1 | C5 | H5 | 53.8° | 57.6° |
| C6 | C1 | C5 | H5A | 173.8° | 177.8° |
| C5 | C1 | S1 | C4 | 118.7° | 119.7° |
| C1 | C5 | C2 | N1 | 55.4° | 59.2° |
| C5 | C1 | S1 | C10 | 80.6° | 63.7° |
| C5 | C1 | S1 | O3 | 32.7° | 47.9° |
| C5 | C1 | S1 | O2 | 165.3° | 175.4° |
| C1 | C5 | C2 | H5 | 120.0° | 119.9° |
| C1 | C5 | C2 | H5A | 120.0° | 120.0° |
| C1 | C5 | C2 | H2 | 175.4° | 179.2° |
| C1 | C5 | C2 | H2A | 64.6° | 60.8° |
| C5 | C1 | C6 | N2 | 161.4° | 174.0° |
| C5 | C1 | C4 | C3 | 53.8° | 57.6° |
| C5 | C1 | C4 | H4 | 66.2° | 62.3° |
| C5 | C1 | C4 | H4A | 173.8° | 177.6° |
| C1 | C5 | H5 | H5A | 118.6° | 120.1° |
| C5 | C1 | C6 | O5 | 17.9° | 5.9° |
| C1 | S1 | C10 | O3 | 116.2° | 116.1° |
| C1 | S1 | C10 | O2 | 116.0° | 116.1° |
| C1 | S1 | O3 | O2 | 126.7° | 131.6° |
| S1 | C1 | C5 | C2 | 170.6° | 177.6° |
| S1 | C1 | C6 | N2 | 77.0° | 53.8° |
| S1 | C1 | C4 | C3 | 172.9° | 177.6° |
| S1 | C1 | C4 | H4 | 52.9° | 57.6° |
| S1 | C1 | C4 | H4A | 67.1° | 62.5° |
| S1 | C1 | C5 | H5 | 69.4° | 62.6° |
| S1 | C1 | C5 | H5A | 50.6° | 57.6° |
| S1 | C1 | C6 | O5 | 103.7° | 126.1° |
| C1 | S1 | C10 | C13 | 81.6° | 90.2° |
| C1 | S1 | C10 | C12 | 98.7° | 90.1° |
| C1 | C4 | C3 | N1 | 56.7° | 59.2° |
| C4 | C1 | S1 | C10 | 160.7° | 176.6° |
| C4 | C1 | S1 | O3 | 86.0° | 71.8° |
| C4 | C1 | S1 | O2 | 46.6° | 64.9° |
| C4 | C1 | C5 | C2 | 52.8° | 57.7° |
| C4 | C1 | C6 | N2 | 42.4° | 66.2° |
| C1 | C4 | C3 | H4 | 120.0° | 119.9° |
| C1 | C4 | C3 | H4A | 120.0° | 120.0° |
| C1 | C4 | C3 | H3 | 63.3° | 60.9° |
| C1 | C4 | C3 | H3A | 176.7° | 179.2° |
| C1 | C4 | H4 | H4A | 118.5° | 120.1° |
| C4 | C1 | C5 | H5 | 172.8° | 177.5° |
| C4 | C1 | C5 | H5A | 67.2° | 62.3° |
| C4 | C1 | C6 | O5 | 136.9° | 113.8° |
| F1 | C26 | F2 | F3 | 117.1° | 120.1° |
| F1 | C26 | F2 | O7 | 116.7° | 119.9° |
| F1 | C26 | F3 | O7 | 116.9° | 120.0° |
| F1 | C26 | O7 | C21 | 174.9° | 60.0° |
| C2 | N1 | C7 | C3 | 126.3° | 124.3° |
| N1 | C2 | C5 | H2 | 120.0° | 120.0° |
| N1 | C2 | C5 | H2A | 120.0° | 120.0° |
| N1 | C2 | H2 | H2A | 120.2° | 120.0° |
| C2 | N1 | C3 | C4 | 59.7° | 61.7° |
| C2 | N1 | C3 | H3 | 60.3° | 58.2° |
| C2 | N1 | C3 | H3A | 179.6° | 178.3° |
| N1 | C2 | C5 | H5 | 175.4° | 179.1° |
| N1 | C2 | C5 | H5A | 64.6° | 60.8° |
| C2 | N1 | C7 | C8 | 130.7° | 65.7° |
| C2 | N1 | C7 | H7 | 109.3° | 174.2° |
| C2 | N1 | C7 | H7A | 10.7° | 54.3° |
| N1 | C7 | C8 | O1 | 122.9° | 65.0° |
| C7 | N1 | C2 | C5 | 175.4° | 174.1° |
| C7 | N1 | C2 | H2 | 55.4° | 54.1° |
| C7 | N1 | C2 | H2A | 64.7° | 65.9° |
| C7 | N1 | C3 | C4 | 175.6° | 174.1° |
| C7 | N1 | C3 | H3 | 64.4° | 65.9° |
| C7 | N1 | C3 | H3A | 55.6° | 54.1° |
| N1 | C7 | C8 | H7 | 120.0° | 120.0° |
| N1 | C7 | C8 | H7A | 120.0° | 120.0° |
| N1 | C7 | H7 | H7A | 120.3° | 119.9° |
| N1 | C7 | C8 | H8 | 2.9° | 55.0° |
| N1 | C7 | C8 | H8A | 117.1° | 175.0° |
| C3 | N1 | C2 | C5 | 59.3° | 61.7° |
| C3 | N1 | C2 | H2 | 179.3° | 178.3° |
| C3 | N1 | C2 | H2A | 60.7° | 58.3° |
| N1 | C3 | C4 | H3 | 120.0° | 120.0° |
| N1 | C3 | C4 | H3A | 120.0° | 120.0° |
| N1 | C3 | H3 | H3A | 120.6° | 120.0° |
| N1 | C3 | C4 | H4 | 63.3° | 60.8° |
| N1 | C3 | C4 | H4A | 176.7° | 179.1° |
| C3 | N1 | C7 | C8 | 102.9° | 170.0° |
| C3 | N1 | C7 | H7 | 17.1° | 49.9° |
| C3 | N1 | C7 | H7A | 137.0° | 70.0° |
| C9 | O1 | C8 | C7 | 113.8° | 180.0° |
| C9 | O1 | C8 | H8 | 126.2° | 60.0° |
| C9 | O1 | C8 | H8A | 6.2° | 60.0° |
| O1 | C9 | H9 | H9A | 120.0° | 120.0° |
| O1 | C9 | H9 | H9B | 120.0° | 120.0° |
| O1 | C9 | H9A | H9B | 120.0° | 120.0° |
| O1 | C8 | C7 | H8 | 120.0° | 120.0° |
| O1 | C8 | C7 | H8A | 120.0° | 120.0° |
| O1 | C8 | C7 | H7 | 3.0° | 55.0° |
| O1 | C8 | C7 | H7A | 117.1° | 175.0° |
| O1 | C8 | H8 | H8A | 120.6° | 120.0° |
| C8 | O1 | C9 | H9 | 180.0° | 180.0° |
| C8 | O1 | C9 | H9A | 60.0° | 60.0° |
| C8 | O1 | C9 | H9B | 60.0° | 60.0° |
| C10 | S1 | O3 | O2 | 119.0° | 116.7° |
| S1 | C10 | C13 | C12 | 179.7° | 179.8° |
| S1 | C10 | C12 | C15 | 180.0° | 180.0° |
| S1 | C10 | C12 | H12 | 0.0° | 0.0° |
| S1 | C10 | C13 | C14 | 180.0° | 180.0° |
| S1 | C10 | C13 | H13 | 0.0° | 0.1° |
| O3 | S1 | C10 | C13 | 34.6° | 25.9° |
| O3 | S1 | C10 | C12 | 145.1° | 153.9° |
| O2 | S1 | C10 | C13 | 162.4° | 153.7° |
| O2 | S1 | C10 | C12 | 17.3° | 26.0° |
| C5 | C2 | H2 | H2A | 120.2° | 120.0° |
| C2 | C5 | H5 | H5A | 118.6° | 120.1° |
| H2 | C2 | C5 | H5 | 64.6° | 60.9° |
| H2 | C2 | C5 | H5A | 55.4° | 59.2° |
| H2A | C2 | C5 | H5 | 55.4° | 59.1° |
| H2A | C2 | C5 | H5A | 175.4° | 179.2° |
| F2 | C26 | F3 | O7 | 125.8° | 120.0° |
| F2 | C26 | O7 | C21 | 67.1° | 60.0° |
| O6 | N2 | C6 | HN2 | 180.0° | 180.0° |
| O6 | N2 | C6 | O5 | 8.8° | 4.4° |
| C6 | N2 | O6 | HO6 | 4.0° | 180.0° |
| HN2 | N2 | C6 | O5 | 171.2° | 175.5° |
| HN2 | N2 | O6 | HO6 | 176.1° | 0.0° |
| C4 | C3 | H3 | H3A | 120.5° | 119.9° |
| C3 | C4 | H4 | H4A | 118.5° | 120.1° |
| H3 | C3 | C4 | H4 | 176.7° | 179.2° |
| H3 | C3 | C4 | H4A | 56.7° | 59.1° |
| H3A | C3 | C4 | H4 | 56.7° | 59.2° |
| H3A | C3 | C4 | H4A | 63.3° | 60.9° |
| F3 | C26 | O7 | C21 | 56.9° | 180.0° |
| N6 | N3 | C18 | N4 | 179.3° | 179.7° |
| N6 | N3 | N4 | N5 | 0.3° | 0.3° |
| N3 | N6 | C19 | N5 | 0.3° | 0.3° |
| N6 | N3 | C18 | C17 | 88.3° | 90.3° |
| N6 | N3 | C18 | H18 | 31.6° | 29.7° |
| N6 | N3 | C18 | H18A | 151.7° | 149.7° |
| N3 | N6 | C19 | C20 | 179.5° | 180.0° |
| C18 | N3 | N4 | N5 | 179.6° | 180.0° |
| C18 | N3 | N6 | C19 | 179.7° | 179.9° |
| N3 | C18 | C17 | C16 | 152.8° | 180.0° |
| N3 | C18 | C17 | H18 | 120.0° | 120.0° |
| N3 | C18 | C17 | H18A | 120.0° | 120.0° |
| N3 | C18 | C17 | H17 | 87.2° | 60.0° |
| N3 | C18 | C17 | H17A | 32.9° | 60.0° |
| N3 | C18 | H18 | H18A | 120.4° | 120.0° |
| N3 | N4 | N5 | C19 | 0.0° | 0.0° |
| N4 | N3 | N6 | C19 | 0.4° | 0.4° |
| N4 | N3 | C18 | C17 | 90.9° | 90.0° |
| N4 | N3 | C18 | H18 | 149.1° | 150.0° |
| N4 | N3 | C18 | H18A | 29.1° | 30.0° |
| N4 | N5 | C19 | N6 | 0.2° | 0.2° |
| N4 | N5 | C19 | C20 | 179.4° | 179.8° |
| C16 | O4 | C11 | C14 | 18.6° | 180.0° |
| C16 | O4 | C11 | C15 | 161.7° | 0.3° |
| O4 | C16 | C17 | H16 | 120.0° | 120.0° |
| O4 | C16 | C17 | H16A | 120.0° | 119.9° |
| O4 | C16 | H16 | H16A | 120.8° | 120.0° |
| O4 | C16 | C17 | C18 | 170.3° | 180.0° |
| O4 | C16 | C17 | H17 | 69.7° | 59.9° |
| O4 | C16 | C17 | H17A | 50.3° | 60.0° |
| O4 | C11 | C14 | C15 | 179.7° | 179.8° |
| O4 | C11 | C15 | C12 | 179.9° | 179.9° |
| O4 | C11 | C14 | C13 | 179.8° | 180.0° |
| O4 | C11 | C14 | H14 | 0.1° | 0.3° |
| O4 | C11 | C15 | H15 | 0.1° | 0.2° |
| C11 | O4 | C16 | C17 | 172.6° | 180.0° |
| C11 | O4 | C16 | H16 | 52.6° | 59.9° |
| C11 | O4 | C16 | H16A | 67.4° | 60.0° |
| N5 | C19 | N6 | C20 | 179.2° | 179.7° |
| N5 | C19 | C20 | C22 | 158.0° | 179.9° |
| N5 | C19 | C20 | C23 | 23.1° | 0.5° |
| N6 | C19 | C20 | C22 | 22.9° | 0.3° |
| N6 | C19 | C20 | C23 | 156.1° | 180.0° |
| C8 | C7 | H7 | H7A | 120.4° | 120.0° |
| C7 | C8 | H8 | H8A | 120.5° | 120.0° |
| H7 | C7 | C8 | H8 | 117.1° | 175.0° |
| H7 | C7 | C8 | H8A | 122.9° | 65.0° |
| H7A | C7 | C8 | H8 | 122.9° | 65.0° |
| H7A | C7 | C8 | H8A | 2.9° | 55.0° |
| C26 | O7 | C21 | C25 | 91.3° | 0.3° |
| C26 | O7 | C21 | C24 | 90.2° | 180.0° |
| O7 | C21 | C25 | C24 | 178.5° | 179.7° |
| O7 | C21 | C25 | C22 | 179.0° | 180.0° |
| O7 | C21 | C24 | C23 | 178.9° | 180.0° |
| O7 | C21 | C24 | H24 | 1.1° | 0.3° |
| O7 | C21 | C25 | H25 | 1.1° | 0.2° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| C10 | C13 | C14 | C11 | 0.1° | 0.1° |
| C13 | C10 | C12 | C15 | 0.3° | 0.3° |
| C13 | C10 | C12 | H12 | 179.7° | 179.8° |
| C10 | C13 | C14 | H13 | 180.0° | 179.9° |
| C10 | C13 | C14 | H14 | 179.9° | 179.7° |
| C10 | C12 | C15 | C11 | 0.1° | 0.1° |
| C10 | C12 | C15 | H12 | 180.0° | 179.9° |
| C12 | C10 | C13 | C14 | 0.3° | 0.2° |
| C12 | C10 | C13 | H13 | 179.7° | 179.7° |
| C10 | C12 | C15 | H15 | 179.9° | 179.8° |
| C14 | C11 | C15 | C12 | 0.2° | 0.2° |
| C11 | C14 | C13 | H14 | 180.0° | 179.6° |
| C11 | C14 | C13 | H13 | 179.9° | 179.9° |
| C14 | C11 | C15 | H15 | 179.8° | 180.0° |
| C11 | C15 | C12 | H15 | 180.0° | 179.8° |
| C11 | C15 | C12 | H12 | 179.9° | 180.0° |
| C15 | C11 | C14 | C13 | 0.2° | 0.3° |
| C15 | C11 | C14 | H14 | 179.8° | 179.9° |
| H12 | C12 | C15 | H15 | 0.1° | 0.2° |
| H13 | C13 | C14 | H14 | 0.1° | 0.4° |
| C17 | C16 | H16 | H16A | 120.8° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17A | 119.4° | 120.0° |
| C16 | C17 | C18 | H18 | 87.2° | 60.0° |
| C16 | C17 | C18 | H18A | 32.8° | 60.0° |
| H16 | C16 | C17 | C18 | 50.3° | 60.0° |
| H16 | C16 | C17 | H17 | 170.3° | 180.0° |
| H16 | C16 | C17 | H17A | 69.7° | 60.0° |
| H16A | C16 | C17 | C18 | 69.7° | 60.0° |
| H16A | C16 | C17 | H17 | 50.3° | 60.0° |
| H16A | C16 | C17 | H17A | 170.3° | 180.0° |
| C18 | C17 | H17 | H17A | 119.4° | 120.0° |
| C17 | C18 | H18 | H18A | 120.4° | 120.0° |
| H17 | C17 | C18 | H18 | 32.8° | 60.0° |
| H17 | C17 | C18 | H18A | 152.8° | 180.0° |
| H17A | C17 | C18 | H18 | 152.8° | 180.0° |
| H17A | C17 | C18 | H18A | 87.1° | 60.0° |
| C19 | C20 | C22 | C23 | 178.9° | 179.7° |
| C19 | C20 | C22 | C25 | 178.7° | 180.0° |
| C19 | C20 | C22 | H22 | 1.3° | 0.1° |
| C19 | C20 | C23 | C24 | 178.7° | 180.0° |
| C19 | C20 | C23 | H23 | 1.3° | 0.0° |
| C20 | C22 | C25 | C21 | 0.3° | 0.1° |
| C20 | C22 | C25 | H22 | 180.0° | 179.9° |
| C22 | C20 | C23 | C24 | 0.2° | 0.3° |
| C22 | C20 | C23 | H23 | 179.8° | 179.7° |
| C20 | C22 | C25 | H25 | 179.7° | 179.7° |
| C20 | C23 | C24 | C21 | 0.3° | 0.0° |
| C23 | C20 | C22 | C25 | 0.2° | 0.3° |
| C23 | C20 | C22 | H22 | 179.8° | 179.8° |
| C20 | C23 | C24 | H23 | 180.0° | 180.0° |
| C20 | C23 | C24 | H24 | 179.7° | 179.7° |
| C21 | C25 | C22 | H25 | 180.0° | 179.8° |
| C21 | C25 | C22 | H22 | 179.6° | 180.0° |
| C25 | C21 | C24 | C23 | 0.5° | 0.3° |
| C25 | C21 | C24 | H24 | 179.5° | 180.0° |
| C24 | C21 | C25 | C22 | 0.5° | 0.2° |
| C21 | C24 | C23 | H24 | 180.0° | 179.8° |
| C21 | C24 | C23 | H23 | 179.7° | 180.0° |
| C24 | C21 | C25 | H25 | 179.5° | 180.0° |
| H22 | C22 | C25 | H25 | 0.4° | 0.1° |
| H23 | C23 | C24 | H24 | 0.3° | 0.3° |
