CBN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| C8 | C24 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C12 | C24 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å | |
| C13 | C21 | sing | 1.53Å | 1.55Å | |
| C13 | C24 | sing | 1.53Å | 1.57Å | |
| C13 | O1 | sing | 1.43Å | 1.42Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | O2 | sing | 1.45Å | 1.43Å | |
| C21 | H21 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | O11 | sing | 1.43Å | 1.43Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | O3 | sing | 1.43Å | 1.43Å | |
| C23 | O4 | sing | 1.43Å | 1.42Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| C24 | O3 | sing | 1.43Å | 1.42Å | |
| CL1 | C28 | sing | 1.74Å | 1.74Å | |
| C27 | C28 | doub | 1.39Å | 1.45Å | Aromatic |
| C27 | C35 | sing | 1.39Å | 1.48Å | Aromatic |
| C27 | O4 | sing | 1.36Å | 1.39Å | |
| C28 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C4 | C32 | doub | 1.40Å | 1.47Å | Aromatic |
| C4 | O6 | sing | 1.35Å | 1.43Å | Aromatic |
| C11 | C31 | sing | 1.41Å | 1.49Å | Aromatic |
| C11 | O6 | sing | 1.34Å | 1.42Å | Aromatic |
| C11 | O7 | doub | 1.22Å | 1.19Å | |
| C31 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | N1 | sing | 1.40Å | 1.47Å | |
| C9 | C32 | sing | 1.47Å | 1.50Å | Aromatic |
| C9 | O5 | sing | 1.35Å | 1.36Å | |
| C32 | C33 | sing | 1.40Å | 1.46Å | Aromatic |
| C33 | C35 | doub | 1.37Å | 1.43Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.48Å | 1.47Å | |
| C14 | N1 | sing | 1.35Å | 1.33Å | |
| C14 | O8 | doub | 1.21Å | 1.17Å | |
| C15 | C16 | doub | 1.40Å | 1.47Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.46Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.39Å | 1.46Å | Aromatic |
| C17 | C25 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.39Å | 1.45Å | Aromatic |
| C18 | O9 | sing | 1.36Å | 1.37Å | |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.56Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C29 | doub | 1.31Å | 1.34Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.51Å | 1.47Å | |
| C29 | C34 | sing | 1.51Å | 1.46Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.11Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| O2 | C10 | sing | 1.35Å | 1.38Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.40Å | 1.32Å | Aromatic |
| C1 | C5 | doub | 1.35Å | 1.45Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.38Å | 1.45Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | N2 | sing | 1.38Å | 1.46Å | Aromatic |
| C3 | C10 | sing | 1.46Å | 1.45Å | |
| N2 | C5 | sing | 1.35Å | 1.47Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | sing | 1.51Å | 1.47Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C10 | O10 | doub | 1.22Å | 1.22Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | H71 | 117.6° | 109.5° |
| O1 | C7 | H72 | 109.3° | 109.4° |
| O1 | C7 | H73 | 109.3° | 109.5° |
| C7 | O1 | C13 | 117.5° | 106.8° |
| H71 | C7 | H72 | 109.2° | 109.5° |
| H71 | C7 | H73 | 109.3° | 109.5° |
| H72 | C7 | H73 | 100.8° | 109.4° |
| C24 | C8 | H81 | 103.1° | 109.5° |
| C24 | C8 | H82 | 114.6° | 109.5° |
| C24 | C8 | H83 | 114.6° | 109.5° |
| C8 | C24 | C12 | 103.2° | 109.3° |
| C8 | C24 | C13 | 116.0° | 109.4° |
| C8 | C24 | O3 | 110.1° | 109.4° |
| H81 | C8 | H82 | 114.7° | 109.4° |
| H81 | C8 | H83 | 114.6° | 109.4° |
| H82 | C8 | H83 | 95.8° | 109.5° |
| C24 | C12 | H121 | 103.2° | 109.5° |
| C24 | C12 | H122 | 114.6° | 109.5° |
| C24 | C12 | H123 | 114.6° | 109.5° |
| C12 | C24 | C13 | 112.8° | 109.6° |
| C12 | C24 | O3 | 106.9° | 109.4° |
| H121 | C12 | H122 | 114.5° | 109.5° |
| H121 | C12 | H123 | 114.6° | 109.5° |
| H122 | C12 | H123 | 95.8° | 109.4° |
| C21 | C13 | C24 | 111.0° | 109.1° |
| C21 | C13 | O1 | 106.3° | 109.6° |
| C21 | C13 | H13 | 111.9° | 109.6° |
| C13 | C21 | C22 | 109.9° | 108.6° |
| C13 | C21 | O2 | 110.3° | 109.6° |
| C13 | C21 | H21 | 108.8° | 109.6° |
| C24 | C13 | O1 | 113.1° | 109.5° |
| C24 | C13 | H13 | 104.9° | 109.5° |
| C13 | C24 | O3 | 107.6° | 109.7° |
| O1 | C13 | H13 | 109.7° | 109.5° |
| C22 | C21 | O2 | 110.1° | 109.7° |
| C22 | C21 | H21 | 109.1° | 109.6° |
| C21 | C22 | C23 | 106.8° | 109.0° |
| C21 | C22 | O11 | 107.3° | 109.5° |
| C21 | C22 | H22 | 114.5° | 109.5° |
| O2 | C21 | H21 | 108.6° | 109.6° |
| C21 | O2 | C10 | 119.9° | 120.0° |
| C23 | C22 | O11 | 114.7° | 109.6° |
| C23 | C22 | H22 | 107.1° | 109.5° |
| C22 | C23 | O3 | 115.5° | 109.8° |
| C22 | C23 | O4 | 105.2° | 109.4° |
| C22 | C23 | H23 | 108.3° | 109.4° |
| O11 | C22 | H22 | 106.6° | 109.6° |
| C22 | O11 | H11 | 107.3° | 106.8° |
| O3 | C23 | O4 | 109.3° | 109.3° |
| O3 | C23 | H23 | 104.1° | 109.5° |
| C23 | O3 | C24 | 122.7° | 107.6° |
| O4 | C23 | H23 | 114.7° | 109.4° |
| C23 | O4 | C27 | 122.9° | 106.8° |
| CL1 | C28 | C27 | 122.8° | 120.1° |
| CL1 | C28 | C4 | 118.6° | 120.1° |
| C28 | C27 | C35 | 120.8° | 120.5° |
| C28 | C27 | O4 | 115.8° | 119.8° |
| C27 | C28 | C4 | 118.6° | 119.8° |
| C35 | C27 | O4 | 123.4° | 119.7° |
| C27 | C35 | C33 | 119.9° | 120.4° |
| C27 | C35 | H35 | 121.9° | 119.8° |
| C28 | C4 | C32 | 121.2° | 119.3° |
| C28 | C4 | O6 | 120.6° | 120.6° |
| C32 | C4 | O6 | 117.9° | 120.1° |
| C4 | C32 | C9 | 118.7° | 118.9° |
| C4 | C32 | C33 | 119.6° | 120.2° |
| C4 | O6 | C11 | 123.0° | 121.9° |
| C31 | C11 | O6 | 118.9° | 121.8° |
| C31 | C11 | O7 | 121.9° | 119.1° |
| C11 | C31 | C9 | 119.3° | 119.5° |
| C11 | C31 | N1 | 118.5° | 120.3° |
| O6 | C11 | O7 | 118.2° | 119.1° |
| C9 | C31 | N1 | 121.7° | 120.2° |
| C31 | C9 | C32 | 121.8° | 117.9° |
| C31 | C9 | O5 | 121.3° | 121.1° |
| C31 | N1 | C14 | 125.4° | 120.0° |
| C31 | N1 | HN1 | 122.6° | 120.0° |
| C32 | C9 | O5 | 116.9° | 121.0° |
| C9 | C32 | C33 | 121.6° | 120.9° |
| C9 | O5 | H5 | 121.3° | 106.8° |
| C32 | C33 | C35 | 119.9° | 119.8° |
| C32 | C33 | H33 | 121.1° | 120.1° |
| C35 | C33 | H33 | 119.1° | 120.1° |
| C33 | C35 | H35 | 118.2° | 119.8° |
| C15 | C14 | N1 | 124.0° | 120.0° |
| C15 | C14 | O8 | 118.6° | 120.0° |
| C14 | C15 | C16 | 120.5° | 120.1° |
| C14 | C15 | C20 | 118.5° | 120.1° |
| N1 | C14 | O8 | 117.2° | 120.0° |
| C14 | N1 | HN1 | 112.0° | 120.0° |
| C16 | C15 | C20 | 120.6° | 119.8° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H16 | 121.1° | 120.0° |
| C15 | C20 | C19 | 119.5° | 119.9° |
| C15 | C20 | H20 | 121.2° | 120.0° |
| C17 | C16 | H16 | 119.0° | 120.0° |
| C16 | C17 | C18 | 118.5° | 120.0° |
| C16 | C17 | C25 | 120.3° | 120.0° |
| C18 | C17 | C25 | 121.2° | 120.0° |
| C17 | C18 | C19 | 122.1° | 120.2° |
| C17 | C18 | O9 | 119.6° | 119.9° |
| C17 | C25 | C26 | 114.2° | 109.5° |
| C17 | C25 | H251 | 110.5° | 109.5° |
| C17 | C25 | H252 | 110.5° | 109.5° |
| C19 | C18 | O9 | 118.2° | 119.9° |
| C18 | C19 | C20 | 119.4° | 120.1° |
| C18 | C19 | H19 | 121.0° | 119.9° |
| C18 | O9 | H9 | 119.7° | 106.8° |
| C20 | C19 | H19 | 119.6° | 119.9° |
| C19 | C20 | H20 | 119.3° | 120.1° |
| C26 | C25 | H251 | 110.5° | 109.5° |
| C26 | C25 | H252 | 110.5° | 109.4° |
| C25 | C26 | C29 | 130.4° | 120.0° |
| C25 | C26 | H26 | 123.8° | 120.0° |
| H251 | C25 | H252 | 99.8° | 109.5° |
| C29 | C26 | H26 | 105.9° | 120.0° |
| C26 | C29 | C30 | 119.0° | 120.0° |
| C26 | C29 | C34 | 120.0° | 120.0° |
| C30 | C29 | C34 | 120.8° | 120.0° |
| C29 | C30 | H301 | 119.0° | 109.4° |
| C29 | C30 | H302 | 108.8° | 109.5° |
| C29 | C30 | H303 | 108.8° | 109.5° |
| C29 | C34 | H341 | 120.0° | 109.5° |
| C29 | C34 | H342 | 108.4° | 109.5° |
| C29 | C34 | H343 | 108.4° | 109.5° |
| H301 | C30 | H302 | 108.8° | 109.5° |
| H301 | C30 | H303 | 108.7° | 109.4° |
| H302 | C30 | H303 | 101.2° | 109.5° |
| H341 | C34 | H342 | 108.4° | 109.4° |
| H341 | C34 | H343 | 108.5° | 109.5° |
| H342 | C34 | H343 | 101.6° | 109.5° |
| O2 | C10 | C3 | 114.9° | 120.0° |
| O2 | C10 | O10 | 122.3° | 120.0° |
| C2 | C1 | C5 | 110.8° | 107.8° |
| C2 | C1 | H1 | 120.7° | 126.0° |
| C1 | C2 | C3 | 108.5° | 106.9° |
| C1 | C2 | H2 | 122.1° | 126.6° |
| C5 | C1 | H1 | 128.5° | 126.1° |
| C1 | C5 | N2 | 107.7° | 109.0° |
| C1 | C5 | C6 | 134.8° | 125.5° |
| C3 | C2 | H2 | 129.4° | 126.5° |
| C2 | C3 | N2 | 109.3° | 107.5° |
| C2 | C3 | C10 | 129.4° | 126.3° |
| N2 | C3 | C10 | 121.0° | 126.3° |
| C3 | N2 | C5 | 103.6° | 108.8° |
| C3 | N2 | HN2 | 128.1° | 125.6° |
| C3 | C10 | O10 | 122.8° | 120.0° |
| C5 | N2 | HN2 | 128.3° | 125.6° |
| N2 | C5 | C6 | 116.0° | 125.6° |
| C5 | C6 | H61 | 134.8° | 109.5° |
| C5 | C6 | H62 | 103.5° | 109.4° |
| C5 | C6 | H63 | 103.5° | 109.5° |
| H61 | C6 | H62 | 103.5° | 109.4° |
| H61 | C6 | H63 | 103.6° | 109.6° |
| H62 | C6 | H63 | 105.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | H71 | H72 | 125.3° | 120.0° |
| O1 | C7 | H71 | H73 | 125.3° | 120.1° |
| O1 | C7 | H72 | H73 | 115.1° | 120.0° |
| C7 | O1 | C13 | C21 | 105.2° | 90.2° |
| C7 | O1 | C13 | C24 | 132.8° | 150.2° |
| C7 | O1 | C13 | H13 | 16.0° | 30.1° |
| H71 | C7 | H72 | H73 | 115.0° | 120.0° |
| H71 | C7 | O1 | C13 | 180.0° | 180.0° |
| H72 | C7 | O1 | C13 | 54.8° | 60.0° |
| H73 | C7 | O1 | C13 | 54.7° | 59.9° |
| C24 | C8 | H81 | H82 | 125.3° | 120.1° |
| C24 | C8 | H81 | H83 | 125.2° | 120.0° |
| C24 | C8 | H82 | H83 | 120.4° | 120.0° |
| C8 | C24 | C12 | C13 | 125.9° | 119.9° |
| C8 | C24 | C12 | O3 | 116.0° | 119.8° |
| C8 | C24 | C12 | H121 | 179.9° | 59.8° |
| C8 | C24 | C12 | H122 | 54.8° | 60.2° |
| C8 | C24 | C12 | H123 | 54.7° | 179.8° |
| C8 | C24 | C13 | C21 | 71.1° | 58.8° |
| C8 | C24 | C13 | O3 | 123.7° | 120.0° |
| C8 | C24 | C13 | O1 | 48.3° | 178.8° |
| C8 | C24 | C13 | H13 | 167.8° | 61.1° |
| C8 | C24 | O3 | C23 | 82.1° | 52.5° |
| H81 | C8 | H82 | H83 | 120.5° | 119.9° |
| H81 | C8 | C24 | C12 | 180.0° | 177.1° |
| H81 | C8 | C24 | C13 | 56.1° | 62.9° |
| H81 | C8 | C24 | O3 | 66.3° | 57.3° |
| H82 | C8 | C24 | C12 | 54.7° | 62.9° |
| H82 | C8 | C24 | C13 | 178.5° | 57.1° |
| H82 | C8 | C24 | O3 | 59.0° | 177.3° |
| H83 | C8 | C24 | C12 | 54.7° | 57.2° |
| H83 | C8 | C24 | C13 | 69.1° | 177.1° |
| H83 | C8 | C24 | O3 | 168.5° | 62.7° |
| C24 | C12 | H121 | H122 | 125.3° | 120.0° |
| C24 | C12 | H121 | H123 | 125.4° | 120.0° |
| C24 | C12 | H122 | H123 | 120.5° | 120.0° |
| C12 | C24 | C13 | C21 | 170.2° | 178.7° |
| C12 | C24 | C13 | O3 | 117.6° | 120.1° |
| C12 | C24 | C13 | O1 | 70.4° | 61.4° |
| C12 | C24 | C13 | H13 | 49.1° | 58.7° |
| C12 | C24 | O3 | C23 | 166.6° | 172.3° |
| H121 | C12 | H122 | H123 | 120.4° | 120.0° |
| H121 | C12 | C24 | C13 | 54.0° | 179.7° |
| H121 | C12 | C24 | O3 | 64.0° | 60.0° |
| H122 | C12 | C24 | C13 | 71.2° | 59.7° |
| H122 | C12 | C24 | O3 | 170.8° | 180.0° |
| H123 | C12 | C24 | C13 | 179.3° | 60.3° |
| H123 | C12 | C24 | O3 | 61.3° | 60.0° |
| C21 | C13 | C24 | O1 | 119.4° | 119.9° |
| C21 | C13 | C24 | H13 | 121.0° | 119.9° |
| C21 | C13 | O1 | H13 | 121.2° | 120.3° |
| C13 | C21 | C22 | O2 | 121.7° | 119.9° |
| C13 | C21 | C22 | H21 | 119.2° | 119.7° |
| C13 | C21 | O2 | H21 | 119.2° | 120.3° |
| C13 | C21 | C22 | C23 | 56.7° | 53.7° |
| C13 | C21 | C22 | O11 | 66.8° | 173.7° |
| C13 | C21 | C22 | H22 | 175.1° | 66.1° |
| C21 | C13 | C24 | O3 | 52.6° | 61.2° |
| C13 | C21 | O2 | C10 | 154.6° | 150.0° |
| C24 | C13 | O1 | H13 | 116.8° | 120.1° |
| C24 | C13 | C21 | C22 | 62.9° | 53.8° |
| C24 | C13 | C21 | O2 | 175.5° | 66.2° |
| C24 | C13 | C21 | H21 | 56.4° | 173.5° |
| C13 | C24 | O3 | C23 | 45.2° | 67.5° |
| O1 | C13 | C21 | C22 | 173.7° | 66.1° |
| O1 | C13 | C21 | O2 | 52.1° | 174.0° |
| O1 | C13 | C21 | H21 | 66.9° | 53.6° |
| O1 | C13 | C24 | O3 | 172.0° | 58.8° |
| H13 | C13 | C21 | C22 | 53.9° | 173.7° |
| H13 | C13 | C21 | O2 | 67.6° | 53.7° |
| H13 | C13 | C21 | H21 | 173.3° | 66.6° |
| H13 | C13 | C24 | O3 | 68.5° | 178.9° |
| C22 | C21 | O2 | H21 | 119.4° | 120.4° |
| C21 | C22 | C23 | O11 | 118.7° | 119.9° |
| C21 | C22 | C23 | H22 | 123.2° | 119.8° |
| C21 | C22 | O11 | H22 | 123.2° | 120.2° |
| C21 | C22 | C23 | O3 | 46.7° | 61.3° |
| C21 | C22 | C23 | O4 | 73.9° | 178.7° |
| C21 | C22 | C23 | H23 | 163.0° | 58.9° |
| C22 | C21 | O2 | C10 | 83.9° | 90.8° |
| C21 | C22 | O11 | H11 | 180.0° | 180.0° |
| O2 | C21 | C22 | C23 | 178.4° | 66.1° |
| O2 | C21 | C22 | O11 | 54.9° | 53.8° |
| O2 | C21 | C22 | H22 | 63.2° | 174.1° |
| C21 | O2 | C10 | C3 | 166.0° | 180.0° |
| C21 | O2 | C10 | O10 | 13.7° | 0.0° |
| H21 | C21 | C22 | C23 | 62.6° | 173.5° |
| H21 | C21 | C22 | O11 | 174.0° | 66.6° |
| H21 | C21 | C22 | H22 | 55.9° | 53.6° |
| H21 | C21 | O2 | C10 | 35.4° | 29.6° |
| C23 | C22 | O11 | H22 | 118.4° | 120.2° |
| C22 | C23 | O3 | O4 | 118.3° | 120.0° |
| C22 | C23 | O3 | H23 | 118.7° | 120.1° |
| C22 | C23 | O4 | H23 | 118.9° | 119.8° |
| C22 | C23 | O3 | C24 | 44.8° | 67.6° |
| C22 | C23 | O4 | C27 | 177.7° | 167.9° |
| C23 | C22 | O11 | H11 | 61.5° | 60.4° |
| O11 | C22 | C23 | O3 | 72.1° | 178.8° |
| O11 | C22 | C23 | O4 | 167.3° | 58.8° |
| O11 | C22 | C23 | H23 | 44.2° | 61.0° |
| H22 | C22 | C23 | O3 | 169.8° | 58.5° |
| H22 | C22 | C23 | O4 | 49.2° | 61.5° |
| H22 | C22 | C23 | H23 | 73.9° | 178.7° |
| H22 | C22 | O11 | H11 | 56.9° | 59.8° |
| O3 | C23 | O4 | H23 | 116.5° | 119.9° |
| O3 | C23 | O4 | C27 | 57.7° | 71.9° |
| O4 | C23 | O3 | C24 | 73.5° | 172.4° |
| C23 | O4 | C27 | C28 | 165.5° | 178.3° |
| C23 | O4 | C27 | C35 | 15.3° | 2.0° |
| H23 | C23 | O3 | C24 | 163.4° | 52.5° |
| H23 | C23 | O4 | C27 | 58.8° | 48.0° |
| CL1 | C28 | C27 | C4 | 178.5° | 179.8° |
| CL1 | C28 | C27 | C35 | 179.6° | 179.7° |
| CL1 | C28 | C27 | O4 | 0.5° | 0.0° |
| CL1 | C28 | C4 | C32 | 178.8° | 179.8° |
| CL1 | C28 | C4 | O6 | 4.9° | 0.1° |
| C28 | C27 | C35 | O4 | 179.1° | 179.8° |
| C27 | C28 | C4 | C32 | 0.2° | 0.5° |
| C27 | C28 | C4 | O6 | 173.7° | 179.7° |
| C28 | C27 | C35 | C33 | 0.9° | 0.2° |
| C28 | C27 | C35 | H35 | 179.1° | 179.8° |
| C35 | C27 | C28 | C4 | 1.1° | 0.5° |
| C27 | C35 | C33 | C32 | 0.3° | 0.0° |
| C27 | C35 | C33 | H35 | 179.9° | 180.0° |
| C27 | C35 | C33 | H33 | 179.7° | 180.0° |
| O4 | C27 | C28 | C4 | 178.1° | 179.8° |
| O4 | C27 | C35 | C33 | 178.2° | 180.0° |
| O4 | C27 | C35 | H35 | 1.8° | 0.0° |
| C28 | C4 | C32 | O6 | 174.0° | 179.8° |
| C28 | C4 | O6 | C11 | 170.0° | 179.8° |
| C28 | C4 | C32 | C9 | 174.7° | 179.7° |
| C28 | C4 | C32 | C33 | 1.0° | 0.2° |
| C32 | C4 | O6 | C11 | 4.1° | 0.1° |
| C4 | C32 | C9 | C31 | 2.3° | 0.0° |
| C4 | C32 | C9 | C33 | 175.6° | 179.9° |
| C4 | C32 | C9 | O5 | 178.7° | 180.0° |
| C4 | C32 | C33 | C35 | 1.2° | 0.1° |
| C4 | C32 | C33 | H33 | 178.8° | 179.9° |
| C4 | O6 | C11 | C31 | 7.2° | 0.0° |
| C4 | O6 | C11 | O7 | 176.1° | 180.0° |
| O6 | C4 | C32 | C9 | 0.7° | 0.1° |
| O6 | C4 | C32 | C33 | 175.0° | 180.0° |
| C31 | C11 | O6 | O7 | 168.9° | 179.9° |
| C11 | C31 | C9 | N1 | 171.7° | 180.0° |
| C11 | C31 | C9 | C32 | 0.8° | 0.0° |
| C11 | C31 | C9 | O5 | 178.2° | 180.0° |
| C11 | C31 | N1 | C14 | 50.9° | 57.6° |
| C11 | C31 | N1 | HN1 | 129.1° | 122.3° |
| O6 | C11 | C31 | C9 | 5.4° | 0.1° |
| O6 | C11 | C31 | N1 | 166.6° | 180.0° |
| O7 | C11 | C31 | C9 | 173.9° | 180.0° |
| O7 | C11 | C31 | N1 | 2.0° | 0.0° |
| C31 | C9 | C32 | O5 | 179.0° | 180.0° |
| C31 | C9 | C32 | C33 | 173.3° | 180.0° |
| C9 | C31 | N1 | C14 | 120.8° | 122.3° |
| C9 | C31 | N1 | HN1 | 59.1° | 57.7° |
| C31 | C9 | O5 | H5 | 180.0° | 5.1° |
| N1 | C31 | C9 | C32 | 170.9° | 180.0° |
| N1 | C31 | C9 | O5 | 10.1° | 0.0° |
| C31 | N1 | C14 | C15 | 39.8° | 174.9° |
| C31 | N1 | C14 | HN1 | 180.0° | 180.0° |
| C31 | N1 | C14 | O8 | 145.3° | 5.2° |
| C9 | C32 | C33 | C35 | 174.4° | 180.0° |
| C9 | C32 | C33 | H33 | 5.7° | 0.0° |
| C32 | C9 | O5 | H5 | 1.0° | 174.9° |
| O5 | C9 | C32 | C33 | 5.7° | 0.0° |
| C32 | C33 | C35 | H33 | 180.0° | 180.0° |
| C32 | C33 | C35 | H35 | 179.8° | 179.9° |
| H33 | C33 | C35 | H35 | 0.3° | 0.0° |
| C15 | C14 | N1 | O8 | 174.9° | 179.9° |
| C14 | C15 | C16 | C20 | 173.2° | 179.7° |
| C14 | C15 | C16 | C17 | 171.2° | 179.8° |
| C14 | C15 | C16 | H16 | 8.8° | 0.3° |
| C14 | C15 | C20 | C19 | 170.3° | 180.0° |
| C14 | C15 | C20 | H20 | 9.7° | 0.0° |
| C15 | C14 | N1 | HN1 | 140.1° | 5.1° |
| N1 | C14 | C15 | C16 | 35.4° | 179.7° |
| N1 | C14 | C15 | C20 | 151.3° | 0.0° |
| O8 | C14 | C15 | C16 | 139.5° | 0.4° |
| O8 | C14 | C15 | C20 | 33.9° | 179.9° |
| O8 | C14 | N1 | HN1 | 34.8° | 174.8° |
| C15 | C16 | C17 | H16 | 180.0° | 179.5° |
| C15 | C16 | C17 | C18 | 0.3° | 0.5° |
| C15 | C16 | C17 | C25 | 178.5° | 179.7° |
| C16 | C15 | C20 | C19 | 3.1° | 0.3° |
| C16 | C15 | C20 | H20 | 177.0° | 179.7° |
| C20 | C15 | C16 | C17 | 2.0° | 0.5° |
| C20 | C15 | C16 | H16 | 178.0° | 180.0° |
| C15 | C20 | C19 | C18 | 1.8° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C15 | C20 | C19 | H19 | 178.2° | 180.0° |
| C16 | C17 | C18 | C25 | 178.9° | 179.8° |
| C16 | C17 | C18 | C19 | 1.7° | 0.2° |
| C16 | C17 | C18 | O9 | 178.6° | 179.7° |
| C16 | C17 | C25 | C26 | 101.8° | 90.2° |
| C16 | C17 | C25 | H251 | 133.0° | 149.7° |
| C16 | C17 | C25 | H252 | 23.5° | 29.7° |
| H16 | C16 | C17 | C18 | 179.6° | 180.0° |
| H16 | C16 | C17 | C25 | 1.5° | 0.2° |
| C17 | C18 | C19 | O9 | 177.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C17 | C18 | C19 | H19 | 179.4° | 180.0° |
| C18 | C17 | C25 | C26 | 77.1° | 90.0° |
| C18 | C17 | C25 | H251 | 48.1° | 30.1° |
| C18 | C17 | C25 | H252 | 157.6° | 150.1° |
| C17 | C18 | O9 | H9 | 180.0° | 89.9° |
| C25 | C17 | C18 | C19 | 177.2° | 180.0° |
| C25 | C17 | C18 | O9 | 0.3° | 0.1° |
| C17 | C25 | C26 | H251 | 125.2° | 120.1° |
| C17 | C25 | C26 | H252 | 125.3° | 120.0° |
| C17 | C25 | H251 | H252 | 116.4° | 120.0° |
| C17 | C25 | C26 | C29 | 107.9° | 117.2° |
| C17 | C25 | C26 | H26 | 72.2° | 62.8° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 178.3° | 180.0° |
| C19 | C18 | O9 | H9 | 3.0° | 90.0° |
| O9 | C18 | C19 | C20 | 177.6° | 180.0° |
| O9 | C18 | C19 | H19 | 2.4° | 0.0° |
| H19 | C19 | C20 | H20 | 1.7° | 0.0° |
| C26 | C25 | H251 | H252 | 116.3° | 119.9° |
| C25 | C26 | C29 | H26 | 180.0° | 180.0° |
| C25 | C26 | C29 | C30 | 178.0° | 172.9° |
| C25 | C26 | C29 | C34 | 2.8° | 7.2° |
| H251 | C25 | C26 | C29 | 126.9° | 122.7° |
| H251 | C25 | C26 | H26 | 53.1° | 57.2° |
| H252 | C25 | C26 | C29 | 17.4° | 2.8° |
| H252 | C25 | C26 | H26 | 162.5° | 177.2° |
| C26 | C29 | C30 | C34 | 175.2° | 179.9° |
| C26 | C29 | C30 | H301 | 180.0° | 180.0° |
| C26 | C29 | C30 | H302 | 54.7° | 60.0° |
| C26 | C29 | C30 | H303 | 54.8° | 60.1° |
| C26 | C29 | C34 | H341 | 180.0° | 5.6° |
| C26 | C29 | C34 | H342 | 54.7° | 125.5° |
| C26 | C29 | C34 | H343 | 54.7° | 114.4° |
| H26 | C26 | C29 | C30 | 2.0° | 7.1° |
| H26 | C26 | C29 | C34 | 177.2° | 172.9° |
| C29 | C30 | H301 | H302 | 125.3° | 120.1° |
| C29 | C30 | H301 | H303 | 125.2° | 120.0° |
| C29 | C30 | H302 | H303 | 114.5° | 120.1° |
| C30 | C29 | C34 | H341 | 4.9° | 174.4° |
| C30 | C29 | C34 | H342 | 130.1° | 54.4° |
| C30 | C29 | C34 | H343 | 120.4° | 65.6° |
| C34 | C29 | C30 | H301 | 4.9° | 0.1° |
| C34 | C29 | C30 | H302 | 120.5° | 119.9° |
| C34 | C29 | C30 | H303 | 130.1° | 120.0° |
| C29 | C34 | H341 | H342 | 125.2° | 120.0° |
| C29 | C34 | H341 | H343 | 125.3° | 120.0° |
| C29 | C34 | H342 | H343 | 114.0° | 120.1° |
| H301 | C30 | H302 | H303 | 114.4° | 119.9° |
| H341 | C34 | H342 | H343 | 114.2° | 120.0° |
| O2 | C10 | C3 | C2 | 14.5° | 179.7° |
| O2 | C10 | C3 | N2 | 158.3° | 0.1° |
| O2 | C10 | C3 | O10 | 179.8° | 180.0° |
| C2 | C1 | C5 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | N2 | 0.1° | 0.4° |
| C1 | C2 | C3 | C10 | 173.6° | 179.9° |
| C2 | C1 | C5 | N2 | 5.1° | 0.3° |
| C2 | C1 | C5 | C6 | 159.6° | 179.8° |
| C5 | C1 | C2 | C3 | 3.1° | 0.4° |
| C5 | C1 | C2 | H2 | 176.9° | 179.9° |
| C1 | C5 | N2 | C3 | 4.8° | 0.0° |
| C1 | C5 | N2 | C6 | 168.0° | 180.0° |
| C1 | C5 | N2 | HN2 | 175.2° | 180.0° |
| C1 | C5 | C6 | H61 | 180.0° | 150.0° |
| C1 | C5 | C6 | H62 | 54.7° | 90.1° |
| C1 | C5 | C6 | H63 | 54.7° | 29.9° |
| H1 | C1 | C2 | C3 | 176.9° | 179.8° |
| H1 | C1 | C2 | H2 | 3.1° | 0.1° |
| H1 | C1 | C5 | N2 | 174.9° | 180.0° |
| H1 | C1 | C5 | C6 | 20.4° | 0.1° |
| C2 | C3 | N2 | C10 | 174.1° | 179.7° |
| C2 | C3 | N2 | C5 | 3.1° | 0.3° |
| C2 | C3 | N2 | HN2 | 176.9° | 179.8° |
| C2 | C3 | C10 | O10 | 165.3° | 0.4° |
| H2 | C2 | C3 | N2 | 179.9° | 179.9° |
| H2 | C2 | C3 | C10 | 6.5° | 0.2° |
| C3 | N2 | C5 | HN2 | 180.0° | 179.9° |
| C3 | N2 | C5 | C6 | 163.2° | 179.9° |
| N2 | C3 | C10 | O10 | 21.9° | 179.9° |
| C10 | C3 | N2 | C5 | 177.2° | 180.0° |
| C10 | C3 | N2 | HN2 | 2.8° | 0.1° |
| N2 | C5 | C6 | H61 | 16.2° | 29.9° |
| N2 | C5 | C6 | H62 | 109.0° | 90.0° |
| N2 | C5 | C6 | H63 | 141.5° | 150.0° |
| HN2 | N2 | C5 | C6 | 16.8° | 0.0° |
| C5 | C6 | H61 | H62 | 125.2° | 119.9° |
| C5 | C6 | H61 | H63 | 125.3° | 120.1° |
| C5 | C6 | H62 | H63 | 108.3° | 120.0° |
| H61 | C6 | H62 | H63 | 108.3° | 120.1° |
