1BK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.38Å | 1.38Å | |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | O23 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C2 | N7 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| N7 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | N8 | sing | 1.39Å | 1.40Å | |
| N8 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| N8 | N9 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| N9 | C10 | doub | 1.30Å | 1.29Å | Aromatic |
| C12 | C10 | sing | 1.46Å | 1.45Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | O24 | sing | 1.36Å | 1.36Å | |
| O24 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | S28 | sing | 1.81Å | 1.82Å | |
| O30 | S28 | doub | 1.42Å | 1.42Å | |
| S28 | O31 | doub | 1.42Å | 1.42Å | |
| S28 | C29 | sing | 1.81Å | 1.82Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| O23 | H18 | sing | 0.97Å | 0.95Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C17 | 111.3° | 109.5° |
| C22 | C21 | C20 | 111.3° | 109.5° |
| C22 | C21 | H14 | 109.0° | 109.5° |
| C22 | C21 | H15 | 109.0° | 109.5° |
| C21 | C22 | H16 | 109.0° | 109.5° |
| C21 | C22 | H17 | 109.0° | 109.5° |
| C22 | C17 | N1 | 110.4° | 109.5° |
| C22 | C17 | C18 | 109.7° | 109.5° |
| C22 | C17 | H8 | 108.7° | 109.5° |
| C17 | C22 | H16 | 109.0° | 109.5° |
| C17 | C22 | H17 | 109.0° | 109.5° |
| C21 | C20 | O23 | 110.1° | 109.5° |
| C21 | C20 | C19 | 110.3° | 109.5° |
| C21 | C20 | H13 | 108.9° | 109.5° |
| C20 | C21 | H14 | 109.0° | 109.5° |
| C20 | C21 | H15 | 109.0° | 109.4° |
| C17 | N1 | C2 | 120.1° | 120.0° |
| N1 | C17 | C18 | 109.9° | 109.5° |
| C17 | N1 | H1 | 106.8° | 119.9° |
| N1 | C17 | H8 | 109.5° | 109.4° |
| N1 | C2 | N3 | 120.1° | 119.2° |
| N1 | C2 | N7 | 118.9° | 119.2° |
| C2 | N1 | H1 | 106.7° | 120.0° |
| C2 | N3 | C4 | 120.5° | 121.0° |
| N3 | C2 | N7 | 120.9° | 121.6° |
| N3 | C4 | C5 | 119.9° | 119.3° |
| N3 | C4 | H2 | 120.0° | 120.4° |
| C17 | C18 | C19 | 109.6° | 109.5° |
| C18 | C17 | H8 | 108.6° | 109.4° |
| C17 | C18 | H9 | 109.4° | 109.4° |
| C17 | C18 | H10 | 109.4° | 109.5° |
| O23 | C20 | C19 | 108.1° | 109.4° |
| O23 | C20 | H13 | 110.5° | 109.5° |
| C20 | O23 | H18 | 109.5° | 114.0° |
| C20 | C19 | C18 | 109.0° | 109.5° |
| C20 | C19 | H11 | 109.6° | 109.5° |
| C20 | C19 | H12 | 109.6° | 109.5° |
| C19 | C20 | H13 | 109.0° | 109.5° |
| C2 | N7 | C6 | 122.0° | 120.6° |
| C4 | C5 | C6 | 118.2° | 118.5° |
| C5 | C4 | H2 | 120.1° | 120.3° |
| C4 | C5 | H3 | 120.9° | 120.8° |
| C19 | C18 | H9 | 109.4° | 109.5° |
| C19 | C18 | H10 | 109.4° | 109.5° |
| C18 | C19 | H11 | 109.6° | 109.4° |
| C18 | C19 | H12 | 109.6° | 109.4° |
| N7 | C6 | C5 | 118.4° | 119.1° |
| N7 | C6 | N8 | 121.1° | 120.5° |
| C5 | C6 | N8 | 120.5° | 120.5° |
| C6 | C5 | H3 | 120.9° | 120.8° |
| C6 | N8 | C11 | 128.6° | 125.5° |
| C6 | N8 | N9 | 123.0° | 125.5° |
| C11 | N8 | N9 | 108.3° | 109.0° |
| N8 | C11 | C16 | 135.5° | 133.8° |
| N8 | C11 | C12 | 106.4° | 106.7° |
| N8 | N9 | C10 | 110.9° | 110.1° |
| C11 | C16 | C15 | 120.3° | 120.0° |
| C16 | C11 | C12 | 118.2° | 119.5° |
| C11 | C16 | H7 | 119.8° | 119.9° |
| C16 | C15 | C14 | 121.3° | 120.7° |
| C16 | C15 | H6 | 119.3° | 119.6° |
| C15 | C16 | H7 | 119.8° | 120.0° |
| C11 | C12 | C10 | 106.6° | 106.3° |
| C11 | C12 | C13 | 121.6° | 119.8° |
| C15 | C14 | C13 | 119.3° | 120.4° |
| C15 | C14 | H5 | 120.4° | 119.8° |
| C14 | C15 | H6 | 119.3° | 119.7° |
| N9 | C10 | C12 | 107.8° | 107.8° |
| N9 | C10 | H4 | 126.1° | 126.1° |
| C10 | C12 | C13 | 131.8° | 133.9° |
| C12 | C10 | H4 | 126.1° | 126.1° |
| C12 | C13 | C14 | 119.3° | 119.5° |
| C12 | C13 | O24 | 115.8° | 120.2° |
| C14 | C13 | O24 | 124.8° | 120.2° |
| C13 | C14 | H5 | 120.4° | 119.8° |
| C13 | O24 | C25 | 116.3° | 117.0° |
| O24 | C25 | C26 | 107.3° | 109.4° |
| O24 | C25 | H19 | 110.0° | 109.5° |
| O24 | C25 | H20 | 110.0° | 109.5° |
| C25 | C26 | C27 | 109.3° | 109.4° |
| C26 | C25 | H19 | 110.0° | 109.5° |
| C26 | C25 | H20 | 110.0° | 109.4° |
| C25 | C26 | H21 | 109.5° | 109.5° |
| C25 | C26 | H22 | 109.5° | 109.5° |
| C26 | C27 | S28 | 111.8° | 109.4° |
| C27 | C26 | H21 | 109.5° | 109.5° |
| C27 | C26 | H22 | 109.5° | 109.5° |
| C26 | C27 | H23 | 108.9° | 109.5° |
| C26 | C27 | H24 | 108.9° | 109.5° |
| C27 | S28 | O30 | 111.3° | 108.6° |
| C27 | S28 | O31 | 109.7° | 108.6° |
| C27 | S28 | C29 | 97.2° | 101.9° |
| S28 | C27 | H23 | 108.9° | 109.4° |
| S28 | C27 | H24 | 108.9° | 109.5° |
| O30 | S28 | O31 | 119.0° | 119.2° |
| O30 | S28 | C29 | 108.8° | 108.6° |
| O31 | S28 | C29 | 108.6° | 108.6° |
| S28 | C29 | H25 | 109.5° | 109.5° |
| S28 | C29 | H26 | 109.5° | 109.5° |
| S28 | C29 | H27 | 109.4° | 109.5° |
| H9 | C18 | H10 | 109.4° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.6° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.4° | 109.4° |
| H25 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C17 | H16 | 120.3° | 120.0° |
| C21 | C22 | C17 | H17 | 120.3° | 120.0° |
| C22 | C21 | C20 | H14 | 120.3° | 120.1° |
| C22 | C21 | C20 | H15 | 120.3° | 120.0° |
| C21 | C22 | C17 | N1 | 177.2° | 180.0° |
| C21 | C22 | C17 | C18 | 55.9° | 60.0° |
| C22 | C21 | C20 | O23 | 175.0° | 180.0° |
| C22 | C21 | C20 | C19 | 55.7° | 60.0° |
| C21 | C22 | C17 | H8 | 62.7° | 60.0° |
| C22 | C21 | C20 | H13 | 63.8° | 60.0° |
| C22 | C21 | H14 | H15 | 119.2° | 120.0° |
| C21 | C22 | H16 | H17 | 119.2° | 120.0° |
| C17 | C22 | C21 | C20 | 53.9° | 60.0° |
| C22 | C17 | N1 | C18 | 121.2° | 120.1° |
| C22 | C17 | N1 | H8 | 119.6° | 120.0° |
| C22 | C17 | N1 | C2 | 154.2° | 85.0° |
| C22 | C17 | C18 | H8 | 118.6° | 120.0° |
| C22 | C17 | C18 | C19 | 60.4° | 59.9° |
| C22 | C17 | N1 | H1 | 84.3° | 94.8° |
| C22 | C17 | C18 | H9 | 59.6° | 60.0° |
| C22 | C17 | C18 | H10 | 179.5° | 180.0° |
| C17 | C22 | C21 | H14 | 66.4° | 180.0° |
| C17 | C22 | C21 | H15 | 174.2° | 60.0° |
| C17 | C22 | H16 | H17 | 119.2° | 120.0° |
| C21 | C20 | O23 | C19 | 120.6° | 120.0° |
| C21 | C20 | O23 | H13 | 120.3° | 120.0° |
| C21 | C20 | C19 | H13 | 119.4° | 120.0° |
| C21 | C20 | C19 | C18 | 59.8° | 60.0° |
| C21 | C20 | C19 | H11 | 60.1° | 179.9° |
| C21 | C20 | C19 | H12 | 179.7° | 60.0° |
| C20 | C21 | H14 | H15 | 119.2° | 119.9° |
| C20 | C21 | C22 | H16 | 66.4° | 180.0° |
| C20 | C21 | C22 | H17 | 174.2° | 60.1° |
| C21 | C20 | O23 | H18 | 180.0° | 60.0° |
| C17 | N1 | C2 | H1 | 121.5° | 179.8° |
| C17 | N1 | C2 | N3 | 175.6° | 0.2° |
| N1 | C17 | C18 | H8 | 119.8° | 119.9° |
| C17 | N1 | C2 | N7 | 4.5° | 180.0° |
| N1 | C17 | C18 | C19 | 178.0° | 180.0° |
| N1 | C17 | C18 | H9 | 62.0° | 60.1° |
| N1 | C17 | C18 | H10 | 57.9° | 59.9° |
| N1 | C17 | C22 | H16 | 56.9° | 59.9° |
| N1 | C17 | C22 | H17 | 62.5° | 60.0° |
| N1 | C2 | N3 | N7 | 179.9° | 179.8° |
| N1 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | N1 | C17 | C18 | 84.6° | 154.9° |
| N1 | C2 | N7 | C6 | 179.7° | 179.7° |
| C2 | N1 | C17 | H8 | 34.6° | 35.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.0° |
| N3 | C2 | N7 | C6 | 0.2° | 0.5° |
| N3 | C2 | N1 | H1 | 54.1° | 180.0° |
| C2 | N3 | C4 | H2 | 179.6° | 180.0° |
| C4 | N3 | C2 | N7 | 0.1° | 0.2° |
| N3 | C4 | C5 | H2 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 1.2° | 0.0° |
| N3 | C4 | C5 | H3 | 178.8° | 179.9° |
| C17 | C18 | C19 | C20 | 62.4° | 60.0° |
| C17 | C18 | C19 | H9 | 120.0° | 119.9° |
| C17 | C18 | C19 | H10 | 120.0° | 120.1° |
| C18 | C17 | N1 | H1 | 36.9° | 25.3° |
| C17 | C18 | H9 | H10 | 119.9° | 120.0° |
| C17 | C18 | C19 | H11 | 57.5° | 179.9° |
| C17 | C18 | C19 | H12 | 177.7° | 60.0° |
| C18 | C17 | C22 | H16 | 64.3° | 180.0° |
| C18 | C17 | C22 | H17 | 176.2° | 60.1° |
| O23 | C20 | C19 | H13 | 120.1° | 120.0° |
| O23 | C20 | C19 | C18 | 179.7° | 180.0° |
| O23 | C20 | C19 | H11 | 60.3° | 60.1° |
| O23 | C20 | C19 | H12 | 59.8° | 60.0° |
| O23 | C20 | C21 | H14 | 54.7° | 60.0° |
| O23 | C20 | C21 | H15 | 64.7° | 60.0° |
| C20 | C19 | C18 | H11 | 119.9° | 120.0° |
| C20 | C19 | C18 | H12 | 119.9° | 120.0° |
| C20 | C19 | C18 | H9 | 57.7° | 60.0° |
| C20 | C19 | C18 | H10 | 177.6° | 180.0° |
| C20 | C19 | H11 | H12 | 120.2° | 120.1° |
| C19 | C20 | C21 | H14 | 64.5° | 180.0° |
| C19 | C20 | C21 | H15 | 176.0° | 60.0° |
| C19 | C20 | O23 | H18 | 59.4° | 180.0° |
| C2 | N7 | C6 | C5 | 1.0° | 0.6° |
| C2 | N7 | C6 | N8 | 179.4° | 179.8° |
| N7 | C2 | N1 | H1 | 126.0° | 0.2° |
| C4 | C5 | C6 | N7 | 1.5° | 0.3° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | N8 | 179.9° | 180.0° |
| C19 | C18 | C17 | H8 | 58.2° | 60.1° |
| C19 | C18 | H9 | H10 | 119.9° | 120.0° |
| C18 | C19 | H11 | H12 | 120.2° | 119.9° |
| C18 | C19 | C20 | H13 | 59.6° | 60.0° |
| N7 | C6 | C5 | N8 | 178.4° | 179.7° |
| N7 | C6 | N8 | C11 | 9.6° | 24.7° |
| N7 | C6 | N8 | N9 | 168.2° | 155.6° |
| N7 | C6 | C5 | H3 | 178.5° | 179.8° |
| C5 | C6 | N8 | C11 | 172.0° | 155.0° |
| C5 | C6 | N8 | N9 | 10.2° | 24.8° |
| C6 | C5 | C4 | H2 | 178.8° | 179.9° |
| C6 | N8 | C11 | N9 | 178.0° | 179.8° |
| C6 | N8 | C11 | C16 | 1.2° | 0.0° |
| C6 | N8 | C11 | C12 | 178.9° | 179.9° |
| C6 | N8 | N9 | C10 | 179.5° | 180.0° |
| N8 | C6 | C5 | H3 | 0.1° | 0.1° |
| N8 | C11 | C16 | C12 | 179.9° | 179.8° |
| N8 | C11 | C16 | C15 | 179.9° | 179.9° |
| C11 | N8 | N9 | C10 | 1.3° | 0.2° |
| N8 | C11 | C12 | C10 | 0.2° | 0.4° |
| N8 | C11 | C12 | C13 | 179.7° | 180.0° |
| N8 | C11 | C16 | H7 | 0.0° | 0.0° |
| N9 | N8 | C11 | C16 | 179.2° | 179.8° |
| N9 | N8 | C11 | C12 | 0.9° | 0.4° |
| N8 | N9 | C10 | C12 | 1.2° | 0.0° |
| N8 | N9 | C10 | H4 | 178.8° | 180.0° |
| C11 | C16 | C15 | H7 | 180.0° | 179.9° |
| C11 | C16 | C15 | C14 | 0.3° | 0.3° |
| C16 | C11 | C12 | C10 | 179.9° | 179.8° |
| C16 | C11 | C12 | C13 | 0.2° | 0.2° |
| C11 | C16 | C15 | H6 | 179.7° | 179.9° |
| C15 | C16 | C11 | C12 | 0.1° | 0.3° |
| C16 | C15 | C14 | H6 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 1.1° | 0.1° |
| C16 | C15 | C14 | H5 | 179.0° | 179.9° |
| C11 | C12 | C10 | N9 | 0.6° | 0.3° |
| C11 | C12 | C10 | C13 | 179.9° | 179.5° |
| C11 | C12 | C13 | C14 | 1.0° | 0.1° |
| C11 | C12 | C13 | O24 | 178.4° | 180.0° |
| C11 | C12 | C10 | H4 | 179.4° | 179.8° |
| C12 | C11 | C16 | H7 | 179.9° | 179.8° |
| C15 | C14 | C13 | C12 | 1.4° | 0.0° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | O24 | 178.6° | 180.0° |
| C14 | C15 | C16 | H7 | 179.7° | 179.8° |
| N9 | C10 | C12 | H4 | 180.0° | 180.0° |
| N9 | C10 | C12 | C13 | 179.5° | 179.8° |
| C10 | C12 | C13 | C14 | 179.1° | 179.5° |
| C10 | C12 | C13 | O24 | 1.7° | 0.5° |
| C12 | C13 | C14 | O24 | 177.2° | 179.9° |
| C12 | C13 | O24 | C25 | 148.4° | 180.0° |
| C13 | C12 | C10 | H4 | 0.5° | 0.2° |
| C12 | C13 | C14 | H5 | 178.6° | 180.0° |
| C14 | C13 | O24 | C25 | 34.3° | 0.0° |
| C13 | C14 | C15 | H6 | 178.9° | 180.0° |
| C13 | O24 | C25 | C26 | 153.8° | 180.0° |
| O24 | C13 | C14 | H5 | 1.4° | 0.0° |
| C13 | O24 | C25 | H19 | 34.1° | 60.0° |
| C13 | O24 | C25 | H20 | 86.5° | 60.1° |
| O24 | C25 | C26 | H19 | 119.7° | 120.0° |
| O24 | C25 | C26 | H20 | 119.7° | 120.0° |
| O24 | C25 | C26 | C27 | 58.4° | 180.0° |
| O24 | C25 | H19 | H20 | 121.0° | 120.1° |
| O24 | C25 | C26 | H21 | 61.6° | 60.0° |
| O24 | C25 | C26 | H22 | 178.4° | 60.0° |
| C25 | C26 | C27 | H21 | 120.0° | 120.0° |
| C25 | C26 | C27 | H22 | 120.0° | 120.0° |
| C25 | C26 | C27 | S28 | 178.3° | 180.0° |
| C26 | C25 | H19 | H20 | 121.0° | 120.0° |
| C25 | C26 | H21 | H22 | 120.1° | 120.0° |
| C25 | C26 | C27 | H23 | 58.0° | 60.0° |
| C25 | C26 | C27 | H24 | 61.3° | 60.0° |
| C26 | C27 | S28 | H23 | 120.3° | 120.0° |
| C26 | C27 | S28 | H24 | 120.3° | 120.0° |
| C26 | C27 | S28 | O30 | 66.2° | 65.5° |
| C26 | C27 | S28 | O31 | 67.6° | 65.5° |
| C26 | C27 | S28 | C29 | 179.7° | 180.0° |
| C27 | C26 | C25 | H19 | 178.1° | 60.0° |
| C27 | C26 | C25 | H20 | 61.3° | 60.0° |
| C27 | C26 | H21 | H22 | 120.0° | 120.1° |
| C26 | C27 | H23 | H24 | 118.9° | 120.0° |
| C27 | S28 | O30 | O31 | 129.0° | 125.0° |
| C27 | S28 | O30 | C29 | 105.9° | 110.1° |
| C27 | S28 | O31 | C29 | 105.1° | 110.1° |
| S28 | C27 | C26 | H21 | 61.7° | 60.0° |
| S28 | C27 | C26 | H22 | 58.4° | 60.0° |
| S28 | C27 | H23 | H24 | 119.0° | 120.0° |
| C27 | S28 | C29 | H25 | 180.0° | 60.1° |
| C27 | S28 | C29 | H26 | 60.0° | 180.0° |
| C27 | S28 | C29 | H27 | 60.0° | 60.0° |
| O30 | S28 | O31 | C29 | 125.2° | 125.0° |
| O30 | S28 | C27 | H23 | 173.5° | 174.5° |
| O30 | S28 | C27 | H24 | 54.1° | 54.5° |
| O30 | S28 | C29 | H25 | 64.6° | 54.5° |
| O30 | S28 | C29 | H26 | 175.4° | 65.4° |
| O30 | S28 | C29 | H27 | 55.4° | 174.5° |
| O31 | S28 | C27 | H23 | 52.8° | 54.5° |
| O31 | S28 | C27 | H24 | 172.1° | 174.5° |
| O31 | S28 | C29 | H25 | 66.3° | 174.6° |
| O31 | S28 | C29 | H26 | 53.6° | 65.5° |
| O31 | S28 | C29 | H27 | 173.7° | 54.5° |
| C29 | S28 | C27 | H23 | 60.0° | 60.0° |
| C29 | S28 | C27 | H24 | 59.3° | 60.0° |
| S28 | C29 | H25 | H26 | 120.0° | 119.9° |
| S28 | C29 | H25 | H27 | 120.0° | 120.1° |
| S28 | C29 | H26 | H27 | 120.0° | 120.0° |
| H1 | N1 | C17 | H8 | 156.1° | 145.2° |
| H2 | C4 | C5 | H3 | 1.2° | 0.0° |
| H5 | C14 | C15 | H6 | 1.1° | 0.0° |
| H6 | C15 | C16 | H7 | 0.3° | 0.0° |
| H8 | C17 | C18 | H9 | 178.3° | 180.0° |
| H8 | C17 | C18 | H10 | 61.8° | 60.0° |
| H8 | C17 | C22 | H16 | 177.1° | 60.0° |
| H8 | C17 | C22 | H17 | 57.6° | 179.9° |
| H9 | C18 | C19 | H11 | 177.6° | 60.0° |
| H9 | C18 | C19 | H12 | 62.3° | 180.0° |
| H10 | C18 | C19 | H11 | 62.5° | 60.0° |
| H10 | C18 | C19 | H12 | 57.6° | 60.0° |
| H11 | C19 | C20 | H13 | 179.6° | 59.9° |
| H12 | C19 | C20 | H13 | 60.3° | 180.0° |
| H13 | C20 | C21 | H14 | 176.0° | 60.1° |
| H13 | C20 | C21 | H15 | 56.5° | 180.0° |
| H13 | C20 | O23 | H18 | 59.7° | 60.0° |
| H14 | C21 | C22 | H16 | 173.3° | 59.9° |
| H14 | C21 | C22 | H17 | 53.9° | 60.0° |
| H15 | C21 | C22 | H16 | 53.9° | 60.1° |
| H15 | C21 | C22 | H17 | 65.6° | 180.0° |
| H19 | C25 | C26 | H21 | 58.1° | 180.0° |
| H19 | C25 | C26 | H22 | 62.0° | 60.0° |
| H20 | C25 | C26 | H21 | 178.8° | 60.0° |
| H20 | C25 | C26 | H22 | 58.7° | 180.0° |
| H21 | C26 | C27 | H23 | 178.0° | 180.0° |
| H21 | C26 | C27 | H24 | 58.7° | 60.0° |
| H22 | C26 | C27 | H23 | 62.0° | 59.9° |
| H22 | C26 | C27 | H24 | 178.7° | 180.0° |
| H25 | C29 | H26 | H27 | 120.0° | 120.0° |
