B8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.45Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C66 | sing | 1.51Å | 1.49Å | |
| C7 | O7 | doub | 1.21Å | 1.24Å | |
| C7 | N8 | sing | 1.35Å | 1.34Å | |
| N8 | C8 | sing | 1.46Å | 1.46Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C8 | C9 | sing | 1.51Å | 1.56Å | |
| C8 | C14 | sing | 1.54Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.54Å | 1.54Å | |
| C9 | O9 | sing | 1.45Å | 1.44Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | N13 | sing | 1.48Å | 1.46Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| N13 | C14 | sing | 1.39Å | 1.46Å | |
| N13 | H13 | sing | 1.01Å | 1.02Å | |
| O9 | C15 | sing | 1.35Å | 1.46Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | O15 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.48Å | 1.39Å | |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C22 | sing | 1.48Å | 1.41Å | |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | O22 | doub | 1.22Å | 1.24Å | |
| C22 | C23 | sing | 1.47Å | 1.40Å | |
| C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C29 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C26 | O26 | sing | 1.36Å | 1.46Å | |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| O26 | C30 | sing | 1.43Å | 1.41Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | O29 | sing | 1.36Å | 1.44Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| C66 | C71 | sing | 1.53Å | 1.54Å | |
| C66 | C72 | sing | 1.53Å | 1.52Å | |
| C66 | H66 | sing | 1.09Å | 1.11Å | |
| C71 | C81 | sing | 1.53Å | 1.55Å | |
| C71 | H711 | sing | 1.09Å | 1.12Å | |
| C71 | H712 | sing | 1.09Å | 1.12Å | |
| C72 | H721 | sing | 1.09Å | 1.12Å | |
| C72 | H722 | sing | 1.09Å | 1.11Å | |
| C72 | H723 | sing | 1.09Å | 1.12Å | |
| C81 | H811 | sing | 1.09Å | 1.12Å | |
| C81 | H812 | sing | 1.09Å | 1.11Å | |
| C81 | H813 | sing | 1.09Å | 1.11Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 119.8° | 106.8° |
| O1 | C1 | C2 | 119.8° | 119.9° |
| O1 | C1 | C6 | 119.7° | 119.9° |
| C2 | C1 | C6 | 120.5° | 120.2° |
| C1 | C2 | C3 | 119.8° | 120.1° |
| C1 | C2 | H2 | 120.0° | 119.9° |
| C1 | C6 | C5 | 119.0° | 120.1° |
| C1 | C6 | C66 | 119.6° | 120.0° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C2 | C3 | C4 | 121.6° | 119.9° |
| C2 | C3 | H3 | 118.9° | 120.1° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C3 | C4 | C5 | 117.2° | 119.8° |
| C3 | C4 | C7 | 120.2° | 120.1° |
| C5 | C4 | C7 | 121.9° | 120.1° |
| C4 | C5 | C6 | 121.9° | 119.9° |
| C4 | C5 | H5 | 119.3° | 120.0° |
| C4 | C7 | O7 | 123.2° | 120.0° |
| C4 | C7 | N8 | 114.5° | 120.0° |
| C6 | C5 | H5 | 118.9° | 120.0° |
| C5 | C6 | C66 | 121.4° | 120.0° |
| C6 | C66 | C71 | 112.2° | 109.5° |
| C6 | C66 | C72 | 110.7° | 109.5° |
| C6 | C66 | H66 | 107.7° | 109.5° |
| O7 | C7 | N8 | 122.1° | 119.9° |
| C7 | N8 | C8 | 123.5° | 120.1° |
| C7 | N8 | HN8 | 113.8° | 120.0° |
| C8 | N8 | HN8 | 122.6° | 120.0° |
| N8 | C8 | C9 | 112.2° | 109.5° |
| N8 | C8 | C14 | 105.9° | 109.6° |
| N8 | C8 | H8 | 113.1° | 109.5° |
| C9 | C8 | C14 | 116.8° | 109.1° |
| C9 | C8 | H8 | 101.0° | 109.6° |
| C8 | C9 | C10 | 118.0° | 112.1° |
| C8 | C9 | O9 | 104.0° | 109.0° |
| C8 | C9 | H9 | 108.1° | 108.9° |
| C14 | C8 | H8 | 108.0° | 109.5° |
| C8 | C14 | N13 | 109.7° | 112.5° |
| C8 | C14 | H141 | 112.1° | 108.9° |
| C8 | C14 | H142 | 112.1° | 108.9° |
| C10 | C9 | O9 | 110.8° | 108.9° |
| C10 | C9 | H9 | 100.9° | 109.0° |
| C9 | C10 | C11 | 112.9° | 111.5° |
| C9 | C10 | H101 | 111.0° | 109.1° |
| C9 | C10 | H102 | 111.0° | 109.0° |
| O9 | C9 | H9 | 115.7° | 109.0° |
| C9 | O9 | C15 | 114.7° | 120.0° |
| C11 | C10 | H101 | 111.0° | 109.1° |
| C11 | C10 | H102 | 110.9° | 109.0° |
| C10 | C11 | C12 | 111.1° | 111.1° |
| C10 | C11 | H111 | 111.6° | 109.1° |
| C10 | C11 | H112 | 111.6° | 109.2° |
| H101 | C10 | H102 | 99.3° | 109.1° |
| C12 | C11 | H111 | 111.6° | 109.2° |
| C12 | C11 | H112 | 111.6° | 109.2° |
| C11 | C12 | N13 | 112.5° | 108.7° |
| C11 | C12 | H121 | 111.1° | 109.6° |
| C11 | C12 | H122 | 111.1° | 109.6° |
| H111 | C11 | H112 | 98.8° | 109.1° |
| N13 | C12 | H121 | 111.1° | 109.6° |
| N13 | C12 | H122 | 111.1° | 109.6° |
| C12 | N13 | C14 | 124.8° | 110.8° |
| C12 | N13 | H13 | 106.8° | 106.7° |
| H121 | C12 | H122 | 99.2° | 109.7° |
| C14 | N13 | H13 | 106.8° | 106.7° |
| N13 | C14 | H141 | 112.1° | 108.9° |
| N13 | C14 | H142 | 112.2° | 108.9° |
| O9 | C15 | O15 | 120.4° | 120.0° |
| O9 | C15 | C16 | 120.6° | 120.0° |
| H141 | C14 | H142 | 98.3° | 108.8° |
| O15 | C15 | C16 | 117.9° | 120.0° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C15 | C16 | C21 | 120.5° | 120.0° |
| C17 | C16 | C21 | 118.2° | 120.0° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C16 | C21 | C20 | 120.8° | 120.0° |
| C16 | C21 | H21 | 119.4° | 120.0° |
| C18 | C17 | H17 | 119.3° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| C18 | C19 | C20 | 118.5° | 120.0° |
| C18 | C19 | C22 | 120.4° | 120.0° |
| C20 | C19 | C22 | 121.1° | 120.0° |
| C19 | C20 | C21 | 120.9° | 120.0° |
| C19 | C20 | H20 | 119.4° | 120.0° |
| C19 | C22 | O22 | 118.2° | 120.0° |
| C19 | C22 | C23 | 123.2° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.0° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| O22 | C22 | C23 | 118.6° | 120.0° |
| C22 | C23 | C24 | 116.2° | 120.2° |
| C22 | C23 | C29 | 126.3° | 120.2° |
| C24 | C23 | C29 | 116.8° | 119.6° |
| C23 | C24 | C26 | 121.8° | 119.8° |
| C23 | C24 | H24 | 118.7° | 120.1° |
| C23 | C29 | C28 | 121.7° | 119.8° |
| C23 | C29 | O29 | 119.0° | 120.1° |
| C26 | C24 | H24 | 119.5° | 120.1° |
| C24 | C26 | O26 | 120.3° | 119.9° |
| C24 | C26 | C27 | 120.5° | 120.2° |
| O26 | C26 | C27 | 119.2° | 119.9° |
| C26 | O26 | C30 | 123.1° | 106.8° |
| C26 | C27 | C28 | 118.9° | 120.4° |
| C26 | C27 | H27 | 120.6° | 119.8° |
| O26 | C30 | H301 | 123.2° | 109.4° |
| O26 | C30 | H302 | 107.4° | 109.5° |
| O26 | C30 | H303 | 107.4° | 109.4° |
| C28 | C27 | H27 | 120.6° | 119.8° |
| C27 | C28 | C29 | 120.3° | 120.1° |
| C27 | C28 | H28 | 119.3° | 120.0° |
| C29 | C28 | H28 | 120.3° | 119.9° |
| C28 | C29 | O29 | 119.3° | 120.1° |
| C29 | O29 | H29 | 119.0° | 106.8° |
| C71 | C66 | C72 | 112.0° | 109.5° |
| C71 | C66 | H66 | 106.1° | 109.5° |
| C66 | C71 | C81 | 111.7° | 109.5° |
| C66 | C71 | H711 | 111.4° | 109.5° |
| C66 | C71 | H712 | 111.4° | 109.5° |
| C72 | C66 | H66 | 107.9° | 109.5° |
| C66 | C72 | H721 | 110.7° | 109.5° |
| C66 | C72 | H722 | 111.8° | 109.5° |
| C66 | C72 | H723 | 111.8° | 109.5° |
| C81 | C71 | H711 | 111.4° | 109.5° |
| C81 | C71 | H712 | 111.4° | 109.5° |
| C71 | C81 | H811 | 111.7° | 109.5° |
| C71 | C81 | H812 | 111.4° | 109.5° |
| C71 | C81 | H813 | 111.4° | 109.5° |
| H711 | C71 | H712 | 98.9° | 109.4° |
| H721 | C72 | H722 | 111.8° | 109.5° |
| H721 | C72 | H723 | 111.7° | 109.4° |
| H722 | C72 | H723 | 98.7° | 109.5° |
| H811 | C81 | H812 | 111.3° | 109.4° |
| H811 | C81 | H813 | 111.3° | 109.4° |
| H812 | C81 | H813 | 99.1° | 109.5° |
| H301 | C30 | H302 | 107.3° | 109.5° |
| H301 | C30 | H303 | 107.4° | 109.5° |
| H302 | C30 | H303 | 102.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 179.1° | 179.4° |
| O1 | C1 | C2 | C3 | 178.0° | 180.0° |
| O1 | C1 | C2 | H2 | 2.0° | 0.2° |
| O1 | C1 | C6 | C5 | 178.4° | 180.0° |
| O1 | C1 | C6 | C66 | 1.7° | 0.3° |
| HO1 | O1 | C1 | C2 | 180.0° | 90.0° |
| HO1 | O1 | C1 | C6 | 0.9° | 90.5° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.9° | 0.3° |
| C1 | C2 | C3 | H3 | 179.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.7° | 0.6° |
| C2 | C1 | C6 | C66 | 179.3° | 179.7° |
| C6 | C1 | C2 | C3 | 1.0° | 0.5° |
| C6 | C1 | C2 | H2 | 179.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.2° | 0.3° |
| C1 | C6 | C5 | C66 | 179.9° | 179.7° |
| C1 | C6 | C5 | H5 | 179.8° | 179.7° |
| C1 | C6 | C66 | C71 | 122.1° | 120.3° |
| C1 | C6 | C66 | C72 | 112.0° | 119.7° |
| C1 | C6 | C66 | H66 | 5.6° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | C7 | 169.8° | 180.0° |
| H2 | C2 | C3 | C4 | 179.1° | 180.0° |
| H2 | C2 | C3 | H3 | 1.0° | 0.0° |
| C3 | C4 | C5 | C7 | 170.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C7 | O7 | 5.7° | 180.0° |
| C3 | C4 | C7 | N8 | 179.3° | 0.1° |
| H3 | C3 | C4 | C5 | 179.5° | 180.0° |
| H3 | C3 | C4 | C7 | 10.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C66 | 179.7° | 180.0° |
| C5 | C4 | C7 | O7 | 175.5° | 0.0° |
| C5 | C4 | C7 | N8 | 9.5° | 180.0° |
| C7 | C4 | C5 | C6 | 170.0° | 180.0° |
| C7 | C4 | C5 | H5 | 10.0° | 0.0° |
| C4 | C7 | O7 | N8 | 174.6° | 179.9° |
| C4 | C7 | N8 | C8 | 168.1° | 180.0° |
| C4 | C7 | N8 | HN8 | 12.0° | 0.1° |
| C5 | C6 | C66 | C71 | 58.0° | 60.0° |
| C5 | C6 | C66 | C72 | 67.9° | 60.0° |
| C5 | C6 | C66 | H66 | 174.4° | 180.0° |
| H5 | C5 | C6 | C66 | 0.3° | 0.0° |
| C6 | C66 | C71 | C72 | 125.2° | 120.0° |
| C6 | C66 | C71 | H66 | 117.3° | 120.0° |
| C6 | C66 | C72 | H66 | 117.5° | 120.0° |
| C6 | C66 | C71 | C81 | 76.4° | 180.0° |
| C6 | C66 | C71 | H711 | 158.3° | 60.0° |
| C6 | C66 | C71 | H712 | 48.9° | 59.9° |
| C6 | C66 | C72 | H721 | 179.9° | 60.0° |
| C6 | C66 | C72 | H722 | 54.7° | 180.0° |
| C6 | C66 | C72 | H723 | 54.8° | 60.0° |
| O7 | C7 | N8 | C8 | 16.9° | 0.1° |
| O7 | C7 | N8 | HN8 | 163.1° | 180.0° |
| C7 | N8 | C8 | HN8 | 180.0° | 179.9° |
| C7 | N8 | C8 | C9 | 119.9° | 150.2° |
| C7 | N8 | C8 | C14 | 111.6° | 90.1° |
| C7 | N8 | C8 | H8 | 6.4° | 30.1° |
| N8 | C8 | C9 | C14 | 122.5° | 119.9° |
| N8 | C8 | C9 | H8 | 120.7° | 120.1° |
| N8 | C8 | C14 | H8 | 121.3° | 120.1° |
| N8 | C8 | C9 | C10 | 150.5° | 147.1° |
| N8 | C8 | C9 | O9 | 86.4° | 26.4° |
| N8 | C8 | C9 | H9 | 37.0° | 92.3° |
| N8 | C8 | C14 | N13 | 158.1° | 159.8° |
| N8 | C8 | C14 | H141 | 76.6° | 79.5° |
| N8 | C8 | C14 | H142 | 32.8° | 38.9° |
| HN8 | N8 | C8 | C9 | 60.1° | 29.8° |
| HN8 | N8 | C8 | C14 | 68.5° | 89.9° |
| HN8 | N8 | C8 | H8 | 173.5° | 150.0° |
| C9 | C8 | C14 | H8 | 112.9° | 119.9° |
| C8 | C9 | C10 | O9 | 119.6° | 120.7° |
| C8 | C9 | C10 | H9 | 117.4° | 120.5° |
| C8 | C9 | O9 | H9 | 118.3° | 118.7° |
| C8 | C9 | C10 | C11 | 48.5° | 40.7° |
| C8 | C9 | C10 | H101 | 173.8° | 161.2° |
| C8 | C9 | C10 | H102 | 76.7° | 79.7° |
| C9 | C8 | C14 | N13 | 76.2° | 80.3° |
| C8 | C9 | O9 | C15 | 166.6° | 147.5° |
| C9 | C8 | C14 | H141 | 49.1° | 40.4° |
| C9 | C8 | C14 | H142 | 158.6° | 158.9° |
| C14 | C8 | C9 | C10 | 28.0° | 93.0° |
| C14 | C8 | C9 | O9 | 151.1° | 146.4° |
| C14 | C8 | C9 | H9 | 85.5° | 27.6° |
| C8 | C14 | N13 | C12 | 75.4° | 63.8° |
| C8 | C14 | N13 | H141 | 125.2° | 120.7° |
| C8 | C14 | N13 | H142 | 125.3° | 120.8° |
| C8 | C14 | N13 | H13 | 159.4° | 179.6° |
| C8 | C14 | H141 | H142 | 118.1° | 118.5° |
| H8 | C8 | C9 | C10 | 88.8° | 26.9° |
| H8 | C8 | C9 | O9 | 34.3° | 93.7° |
| H8 | C8 | C9 | H9 | 157.7° | 147.5° |
| H8 | C8 | C14 | N13 | 36.8° | 39.6° |
| H8 | C8 | C14 | H141 | 162.0° | 160.4° |
| H8 | C8 | C14 | H142 | 88.5° | 81.2° |
| C10 | C9 | O9 | H9 | 113.9° | 118.8° |
| C9 | C10 | C11 | H101 | 125.3° | 120.6° |
| C9 | C10 | C11 | H102 | 125.3° | 120.4° |
| C9 | C10 | H101 | H102 | 116.9° | 119.0° |
| C9 | C10 | C11 | C12 | 88.7° | 40.5° |
| C9 | C10 | C11 | H111 | 36.6° | 160.9° |
| C9 | C10 | C11 | H112 | 146.0° | 80.0° |
| C10 | C9 | O9 | C15 | 65.7° | 90.0° |
| O9 | C9 | C10 | C11 | 71.1° | 161.4° |
| O9 | C9 | C10 | H101 | 54.2° | 78.1° |
| O9 | C9 | C10 | H102 | 163.6° | 41.0° |
| C9 | O9 | C15 | O15 | 22.1° | 0.0° |
| C9 | O9 | C15 | C16 | 145.5° | 179.9° |
| H9 | C9 | C10 | C11 | 165.9° | 79.8° |
| H9 | C9 | C10 | H101 | 68.8° | 40.7° |
| H9 | C9 | C10 | H102 | 40.7° | 159.8° |
| H9 | C9 | O9 | C15 | 48.2° | 28.8° |
| C11 | C10 | H101 | H102 | 116.8° | 119.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.4° |
| C10 | C11 | C12 | H112 | 125.3° | 120.5° |
| C10 | C11 | H111 | H112 | 117.5° | 119.2° |
| C10 | C11 | C12 | N13 | 69.4° | 97.6° |
| C10 | C11 | C12 | H121 | 165.4° | 22.2° |
| C10 | C11 | C12 | H122 | 55.9° | 142.7° |
| H101 | C10 | C11 | C12 | 146.0° | 80.1° |
| H101 | C10 | C11 | H111 | 88.7° | 40.3° |
| H101 | C10 | C11 | H112 | 20.7° | 159.4° |
| H102 | C10 | C11 | C12 | 36.6° | 160.8° |
| H102 | C10 | C11 | H111 | 161.9° | 78.7° |
| H102 | C10 | C11 | H112 | 88.7° | 40.4° |
| C12 | C11 | H111 | H112 | 117.5° | 119.2° |
| C11 | C12 | N13 | H121 | 125.3° | 119.8° |
| C11 | C12 | N13 | H122 | 125.3° | 119.7° |
| C11 | C12 | H121 | H122 | 117.0° | 120.4° |
| C11 | C12 | N13 | C14 | 59.9° | 84.8° |
| C11 | C12 | N13 | H13 | 174.9° | 159.5° |
| H111 | C11 | C12 | N13 | 55.9° | 142.0° |
| H111 | C11 | C12 | H121 | 69.3° | 98.2° |
| H111 | C11 | C12 | H122 | 178.8° | 22.3° |
| H112 | C11 | C12 | N13 | 165.4° | 22.9° |
| H112 | C11 | C12 | H121 | 40.1° | 142.7° |
| H112 | C11 | C12 | H122 | 69.3° | 96.9° |
| N13 | C12 | H121 | H122 | 117.0° | 120.4° |
| C12 | N13 | C14 | H13 | 125.2° | 115.7° |
| C12 | N13 | C14 | H141 | 49.9° | 56.9° |
| C12 | N13 | C14 | H142 | 159.4° | 175.4° |
| H121 | C12 | N13 | C14 | 174.9° | 35.0° |
| H121 | C12 | N13 | H13 | 49.7° | 80.8° |
| H122 | C12 | N13 | C14 | 65.4° | 155.5° |
| H122 | C12 | N13 | H13 | 59.8° | 39.7° |
| N13 | C14 | H141 | H142 | 118.1° | 118.6° |
| H13 | N13 | C14 | H141 | 75.3° | 58.8° |
| H13 | N13 | C14 | H142 | 34.1° | 59.6° |
| O9 | C15 | O15 | C16 | 167.9° | 180.0° |
| O9 | C15 | C16 | C17 | 152.7° | 0.3° |
| O9 | C15 | C16 | C21 | 25.8° | 180.0° |
| O15 | C15 | C16 | C17 | 39.4° | 179.7° |
| O15 | C15 | C16 | C21 | 142.1° | 0.1° |
| C15 | C16 | C17 | C21 | 178.5° | 179.6° |
| C15 | C16 | C17 | C18 | 179.6° | 179.8° |
| C15 | C16 | C17 | H17 | 0.5° | 0.3° |
| C15 | C16 | C21 | C20 | 179.6° | 180.0° |
| C15 | C16 | C21 | H21 | 0.4° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.5° |
| C16 | C17 | C18 | C19 | 0.8° | 0.5° |
| C16 | C17 | C18 | H18 | 179.2° | 179.8° |
| C17 | C16 | C21 | C20 | 1.1° | 0.3° |
| C17 | C16 | C21 | H21 | 179.0° | 179.7° |
| C21 | C16 | C17 | C18 | 1.0° | 0.6° |
| C21 | C16 | C17 | H17 | 179.0° | 179.9° |
| C16 | C21 | C20 | C19 | 0.9° | 0.1° |
| C16 | C21 | C20 | H21 | 180.0° | 179.9° |
| C16 | C21 | C20 | H20 | 179.1° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.6° | 0.3° |
| C17 | C18 | C19 | C22 | 177.6° | 179.8° |
| H17 | C17 | C18 | C19 | 179.2° | 179.9° |
| H17 | C17 | C18 | H18 | 0.8° | 0.3° |
| C18 | C19 | C20 | C22 | 177.1° | 179.9° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C18 | C19 | C20 | H20 | 179.3° | 179.9° |
| C18 | C19 | C22 | O22 | 42.7° | 6.6° |
| C18 | C19 | C22 | C23 | 140.1° | 173.5° |
| H18 | C18 | C19 | C20 | 179.4° | 180.0° |
| H18 | C18 | C19 | C22 | 2.3° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 179.1° | 180.0° |
| C20 | C19 | C22 | O22 | 134.3° | 173.5° |
| C20 | C19 | C22 | C23 | 42.9° | 6.5° |
| C22 | C19 | C20 | C21 | 177.7° | 180.0° |
| C22 | C19 | C20 | H20 | 2.3° | 0.0° |
| C19 | C22 | O22 | C23 | 177.3° | 179.9° |
| C19 | C22 | C23 | C24 | 128.5° | 123.2° |
| C19 | C22 | C23 | C29 | 61.7° | 57.1° |
| H20 | C20 | C21 | H21 | 0.9° | 0.0° |
| O22 | C22 | C23 | C24 | 48.7° | 56.7° |
| O22 | C22 | C23 | C29 | 121.1° | 123.0° |
| C22 | C23 | C24 | C29 | 170.8° | 179.7° |
| C22 | C23 | C24 | C26 | 172.5° | 180.0° |
| C22 | C23 | C24 | H24 | 7.5° | 0.1° |
| C22 | C23 | C29 | C28 | 172.2° | 179.8° |
| C22 | C23 | C29 | O29 | 7.3° | 0.3° |
| C23 | C24 | C26 | H24 | 180.0° | 180.0° |
| C23 | C24 | C26 | O26 | 179.3° | 180.0° |
| C23 | C24 | C26 | C27 | 1.0° | 0.0° |
| C24 | C23 | C29 | C28 | 2.5° | 0.5° |
| C24 | C23 | C29 | O29 | 177.1° | 180.0° |
| C29 | C23 | C24 | C26 | 1.6° | 0.3° |
| C29 | C23 | C24 | H24 | 178.4° | 179.8° |
| C23 | C29 | C28 | C27 | 2.7° | 0.6° |
| C23 | C29 | C28 | O29 | 179.6° | 179.5° |
| C23 | C29 | C28 | H28 | 177.4° | 179.8° |
| C23 | C29 | O29 | H29 | 180.0° | 90.4° |
| C24 | C26 | O26 | C27 | 178.3° | 180.0° |
| C24 | C26 | O26 | C30 | 24.4° | 180.0° |
| C24 | C26 | C27 | C28 | 1.1° | 0.0° |
| C24 | C26 | C27 | H27 | 178.9° | 180.0° |
| H24 | C24 | C26 | O26 | 0.7° | 0.0° |
| H24 | C24 | C26 | C27 | 179.0° | 180.0° |
| O26 | C26 | C27 | C28 | 179.4° | 179.9° |
| O26 | C26 | C27 | H27 | 0.6° | 0.0° |
| C26 | O26 | C30 | H301 | 180.0° | 180.0° |
| C26 | O26 | C30 | H302 | 54.8° | 60.0° |
| C26 | O26 | C30 | H303 | 54.7° | 60.0° |
| C27 | C26 | O26 | C30 | 157.3° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.9° | 0.3° |
| C26 | C27 | C28 | H28 | 178.1° | 180.0° |
| O26 | C30 | H301 | H302 | 125.2° | 120.0° |
| O26 | C30 | H301 | H303 | 125.3° | 119.9° |
| O26 | C30 | H302 | H303 | 112.9° | 120.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.7° |
| C27 | C28 | C29 | O29 | 176.9° | 180.0° |
| H27 | C27 | C28 | C29 | 178.1° | 179.7° |
| H27 | C27 | C28 | H28 | 1.9° | 0.1° |
| C28 | C29 | O29 | H29 | 0.4° | 90.1° |
| H28 | C28 | C29 | O29 | 3.1° | 0.3° |
| C71 | C66 | C72 | H66 | 116.5° | 120.0° |
| C66 | C71 | C81 | H711 | 125.3° | 120.0° |
| C66 | C71 | C81 | H712 | 125.3° | 120.0° |
| C66 | C71 | H711 | H712 | 117.3° | 120.0° |
| C71 | C66 | C72 | H721 | 53.9° | 60.1° |
| C71 | C66 | C72 | H722 | 179.3° | 60.0° |
| C71 | C66 | C72 | H723 | 71.2° | 180.0° |
| C66 | C71 | C81 | H811 | 180.0° | 180.0° |
| C66 | C71 | C81 | H812 | 54.8° | 60.0° |
| C66 | C71 | C81 | H813 | 54.8° | 60.0° |
| C72 | C66 | C71 | C81 | 158.5° | 60.0° |
| C72 | C66 | C71 | H711 | 33.2° | 180.0° |
| C72 | C66 | C71 | H712 | 76.3° | 60.1° |
| C66 | C72 | H721 | H722 | 125.3° | 120.0° |
| C66 | C72 | H721 | H723 | 125.2° | 120.0° |
| C66 | C72 | H722 | H723 | 117.7° | 120.0° |
| H66 | C66 | C71 | C81 | 41.0° | 60.0° |
| H66 | C66 | C71 | H711 | 84.3° | 60.0° |
| H66 | C66 | C71 | H712 | 166.2° | 180.0° |
| H66 | C66 | C72 | H721 | 62.5° | 179.9° |
| H66 | C66 | C72 | H722 | 62.8° | 60.0° |
| H66 | C66 | C72 | H723 | 172.3° | 60.0° |
| C81 | C71 | H711 | H712 | 117.3° | 120.0° |
| C71 | C81 | H811 | H812 | 125.3° | 120.0° |
| C71 | C81 | H811 | H813 | 125.2° | 120.0° |
| C71 | C81 | H812 | H813 | 117.3° | 120.0° |
| H711 | C71 | C81 | H811 | 54.7° | 60.0° |
| H711 | C71 | C81 | H812 | 179.9° | 60.0° |
| H711 | C71 | C81 | H813 | 70.5° | 180.0° |
| H712 | C71 | C81 | H811 | 54.7° | 59.9° |
| H712 | C71 | C81 | H812 | 70.5° | 179.9° |
| H712 | C71 | C81 | H813 | 179.9° | 60.0° |
| H721 | C72 | H722 | H723 | 117.6° | 120.0° |
| H811 | C81 | H812 | H813 | 117.2° | 120.0° |
| H301 | C30 | H302 | H303 | 112.9° | 120.1° |
