BHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C7 | C6 | sing | 1.51Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C6 | C1 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C13 | O1 | doub | 1.21Å | 1.24Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | N | sing | 1.35Å | 1.33Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| N | C14 | sing | 1.46Å | 1.44Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C29 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C20 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C19 | O2 | sing | 1.36Å | 1.40Å | |
| O2 | C22 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | O3 | doub | 1.21Å | 1.26Å | |
| C31 | O4T | sing | 1.34Å | 1.25Å | |
| O4T | HXT | sing | 0.97Å | 0.95Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.45Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C28 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C27 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 109.9° | 109.5° |
| C8 | C9 | H91 | 112.1° | 109.5° |
| C8 | C9 | H92 | 112.1° | 109.5° |
| C9 | C8 | C7 | 112.0° | 109.5° |
| C9 | C8 | H81 | 111.3° | 109.5° |
| C9 | C8 | H82 | 111.3° | 109.5° |
| C10 | C9 | H91 | 112.0° | 109.5° |
| C10 | C9 | H92 | 112.0° | 109.4° |
| C9 | C10 | C11 | 111.7° | 109.5° |
| C9 | C10 | H101 | 111.4° | 109.5° |
| C9 | C10 | H102 | 111.4° | 109.4° |
| H91 | C9 | H92 | 98.4° | 109.5° |
| C7 | C8 | H81 | 111.3° | 109.4° |
| C7 | C8 | H82 | 111.3° | 109.4° |
| C8 | C7 | C6 | 113.7° | 109.5° |
| C8 | C7 | H71 | 110.6° | 109.5° |
| C8 | C7 | H72 | 110.6° | 109.5° |
| H81 | C8 | H82 | 99.0° | 109.5° |
| C6 | C7 | H71 | 110.7° | 109.5° |
| C6 | C7 | H72 | 110.7° | 109.5° |
| C7 | C6 | C1 | 121.3° | 120.0° |
| C7 | C6 | C5 | 122.3° | 120.0° |
| H71 | C7 | H72 | 99.7° | 109.5° |
| C1 | C6 | C5 | 116.4° | 120.0° |
| C6 | C1 | C2 | 121.9° | 120.0° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C6 | C5 | C4 | 121.7° | 120.0° |
| C6 | C5 | H5 | 119.3° | 120.0° |
| C2 | C1 | H1 | 118.4° | 120.0° |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C1 | C2 | H2 | 120.8° | 120.0° |
| C4 | C5 | H5 | 119.0° | 119.9° |
| C5 | C4 | C3 | 119.8° | 119.9° |
| C5 | C4 | H4 | 120.6° | 120.1° |
| C3 | C2 | H2 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| O1 | C13 | C12 | 119.6° | 120.0° |
| O1 | C13 | N | 124.3° | 120.0° |
| C12 | C13 | N | 116.1° | 120.0° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C13 | C12 | H121 | 111.3° | 109.5° |
| C13 | C12 | H122 | 111.3° | 109.5° |
| C13 | N | C14 | 116.7° | 120.1° |
| C13 | N | H | 118.0° | 120.0° |
| C11 | C12 | H121 | 111.4° | 109.5° |
| C11 | C12 | H122 | 111.3° | 109.4° |
| C12 | C11 | C10 | 112.4° | 109.5° |
| C12 | C11 | H111 | 111.1° | 109.4° |
| C12 | C11 | H112 | 111.1° | 109.4° |
| H121 | C12 | H122 | 99.0° | 109.5° |
| C10 | C11 | H111 | 111.1° | 109.5° |
| C10 | C11 | H112 | 111.1° | 109.5° |
| C11 | C10 | H101 | 111.4° | 109.5° |
| C11 | C10 | H102 | 111.4° | 109.5° |
| H111 | C11 | H112 | 99.3° | 109.5° |
| H101 | C10 | H102 | 98.9° | 109.5° |
| C14 | N | H | 125.2° | 120.0° |
| N | C14 | C15 | 107.7° | 109.6° |
| N | C14 | C29 | 112.3° | 109.5° |
| N | C14 | H14 | 110.1° | 109.4° |
| C15 | C14 | C29 | 113.1° | 109.5° |
| C15 | C14 | H14 | 109.3° | 109.4° |
| C14 | C15 | C16 | 107.6° | 109.5° |
| C14 | C15 | H151 | 112.9° | 109.5° |
| C14 | C15 | H152 | 112.9° | 109.4° |
| C29 | C14 | H14 | 104.3° | 109.4° |
| C14 | C29 | C30 | 112.8° | 109.5° |
| C14 | C29 | H291 | 111.0° | 109.5° |
| C14 | C29 | H292 | 111.1° | 109.4° |
| C16 | C15 | H151 | 112.9° | 109.5° |
| C16 | C15 | H152 | 112.9° | 109.4° |
| C15 | C16 | C17 | 117.9° | 119.9° |
| C15 | C16 | C21 | 123.6° | 119.9° |
| H151 | C15 | H152 | 97.6° | 109.5° |
| C17 | C16 | C21 | 118.5° | 120.2° |
| C16 | C17 | C18 | 122.4° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C16 | C21 | C20 | 120.0° | 120.0° |
| C16 | C21 | H21 | 119.7° | 120.0° |
| C18 | C17 | H17 | 117.6° | 120.0° |
| C17 | C18 | C19 | 121.0° | 119.9° |
| C17 | C18 | H18 | 117.9° | 119.9° |
| C19 | C18 | H18 | 121.1° | 120.1° |
| C18 | C19 | C20 | 119.4° | 119.9° |
| C18 | C19 | O2 | 116.2° | 120.0° |
| C20 | C21 | H21 | 120.3° | 119.9° |
| C21 | C20 | C19 | 118.6° | 119.9° |
| C21 | C20 | H20 | 121.0° | 120.0° |
| C19 | C20 | H20 | 120.4° | 120.0° |
| C20 | C19 | O2 | 124.4° | 120.0° |
| C19 | O2 | C22 | 118.4° | 106.8° |
| O2 | C22 | C23 | 115.4° | 109.5° |
| O2 | C22 | H221 | 110.0° | 109.4° |
| O2 | C22 | H222 | 110.0° | 109.5° |
| C30 | C29 | H291 | 111.0° | 109.6° |
| C30 | C29 | H292 | 111.0° | 109.5° |
| C29 | C30 | C31 | 110.1° | 109.5° |
| C29 | C30 | H301 | 112.0° | 109.5° |
| C29 | C30 | H302 | 112.0° | 109.5° |
| H291 | C29 | H292 | 99.3° | 109.4° |
| C31 | C30 | H301 | 111.9° | 109.5° |
| C31 | C30 | H302 | 112.0° | 109.4° |
| C30 | C31 | O3 | 119.3° | 120.0° |
| C30 | C31 | O4T | 118.6° | 120.1° |
| H301 | C30 | H302 | 98.4° | 109.5° |
| O3 | C31 | O4T | 122.1° | 119.9° |
| C31 | O4T | HXT | 118.6° | 120.1° |
| C23 | C22 | H221 | 110.0° | 109.4° |
| C23 | C22 | H222 | 110.1° | 109.5° |
| C22 | C23 | C24 | 119.0° | 120.0° |
| C22 | C23 | C28 | 121.6° | 120.0° |
| H221 | C22 | H222 | 100.2° | 109.5° |
| C24 | C23 | C28 | 119.4° | 120.0° |
| C23 | C24 | C25 | 121.4° | 120.0° |
| C23 | C24 | H24 | 120.0° | 120.0° |
| C23 | C28 | C27 | 120.1° | 120.0° |
| C23 | C28 | H28 | 120.8° | 120.0° |
| C25 | C24 | H24 | 118.6° | 120.0° |
| C24 | C25 | C26 | 119.0° | 120.1° |
| C24 | C25 | H25 | 119.0° | 120.0° |
| C27 | C28 | H28 | 119.0° | 120.0° |
| C28 | C27 | C26 | 118.8° | 120.0° |
| C28 | C27 | H27 | 120.5° | 120.0° |
| C26 | C25 | H25 | 122.0° | 120.0° |
| C25 | C26 | C27 | 121.2° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.1° |
| C26 | C27 | H27 | 120.7° | 120.0° |
| C27 | C26 | H26 | 118.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 118.0° | 120.0° |
| C9 | C8 | C7 | H81 | 125.3° | 120.0° |
| C9 | C8 | C7 | H82 | 125.3° | 120.0° |
| C9 | C8 | H81 | H82 | 117.1° | 120.1° |
| C9 | C8 | C7 | C6 | 85.5° | 180.0° |
| C9 | C8 | C7 | H71 | 39.7° | 60.0° |
| C9 | C8 | C7 | H72 | 149.2° | 60.0° |
| C8 | C9 | C10 | C11 | 179.1° | 180.0° |
| C8 | C9 | C10 | H101 | 55.6° | 60.0° |
| C8 | C9 | C10 | H102 | 53.8° | 60.0° |
| C10 | C9 | H91 | H92 | 118.0° | 119.9° |
| C10 | C9 | C8 | C7 | 178.5° | 180.0° |
| C10 | C9 | C8 | H81 | 53.2° | 60.0° |
| C10 | C9 | C8 | H82 | 56.1° | 60.1° |
| C9 | C10 | C11 | C12 | 179.7° | 180.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | C11 | H111 | 55.0° | 60.0° |
| C9 | C10 | C11 | H112 | 54.5° | 60.0° |
| C9 | C10 | H101 | H102 | 117.3° | 119.9° |
| H91 | C9 | C8 | C7 | 53.3° | 60.0° |
| H91 | C9 | C8 | H81 | 72.0° | 179.9° |
| H91 | C9 | C8 | H82 | 178.6° | 60.0° |
| H91 | C9 | C10 | C11 | 53.9° | 60.0° |
| H91 | C9 | C10 | H101 | 179.2° | 180.0° |
| H91 | C9 | C10 | H102 | 71.4° | 60.0° |
| H92 | C9 | C8 | C7 | 56.2° | 60.0° |
| H92 | C9 | C8 | H81 | 178.5° | 59.9° |
| H92 | C9 | C8 | H82 | 69.1° | 180.0° |
| H92 | C9 | C10 | C11 | 55.7° | 60.0° |
| H92 | C9 | C10 | H101 | 69.7° | 60.0° |
| H92 | C9 | C10 | H102 | 179.1° | NaN° |
| C7 | C8 | H81 | H82 | 117.2° | 120.0° |
| C8 | C7 | C6 | H71 | 125.3° | 120.0° |
| C8 | C7 | C6 | H72 | 125.2° | 120.0° |
| C8 | C7 | H71 | H72 | 116.5° | 120.0° |
| C8 | C7 | C6 | C1 | 88.7° | 90.1° |
| C8 | C7 | C6 | C5 | 90.9° | 90.3° |
| H81 | C8 | C7 | C6 | 149.2° | 60.0° |
| H81 | C8 | C7 | H71 | 85.6° | 180.0° |
| H81 | C8 | C7 | H72 | 23.9° | 60.0° |
| H82 | C8 | C7 | C6 | 39.8° | 60.0° |
| H82 | C8 | C7 | H71 | 165.0° | 60.0° |
| H82 | C8 | C7 | H72 | 85.5° | 180.0° |
| C6 | C7 | H71 | H72 | 116.5° | 120.0° |
| C7 | C6 | C1 | C5 | 179.7° | 179.7° |
| C7 | C6 | C1 | C2 | 179.3° | 180.0° |
| C7 | C6 | C1 | H1 | 0.7° | 0.1° |
| C7 | C6 | C5 | C4 | 179.3° | 179.9° |
| C7 | C6 | C5 | H5 | 0.6° | 0.2° |
| H71 | C7 | C6 | C1 | 36.5° | 29.9° |
| H71 | C7 | C6 | C5 | 143.8° | 149.7° |
| H72 | C7 | C6 | C1 | 146.1° | 150.0° |
| H72 | C7 | C6 | C5 | 34.3° | 29.7° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.4° | 0.5° |
| C1 | C6 | C5 | H5 | 179.7° | 179.9° |
| C6 | C1 | C2 | C3 | 0.3° | 0.1° |
| C6 | C1 | C2 | H2 | 179.7° | 179.9° |
| C5 | C6 | C1 | C2 | 0.4° | 0.3° |
| C5 | C6 | C1 | H1 | 179.6° | 179.8° |
| C6 | C5 | C4 | H5 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.2° | 0.4° |
| C6 | C5 | C4 | H4 | 179.8° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.7° | 180.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| H5 | C5 | C4 | C3 | 179.8° | 180.0° |
| H5 | C5 | C4 | H4 | 0.2° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| H4 | C4 | C3 | H3 | 0.1° | 0.1° |
| O1 | C13 | C12 | N | 179.3° | 180.0° |
| O1 | C13 | C12 | C11 | 97.5° | 0.0° |
| O1 | C13 | C12 | H121 | 137.2° | 120.0° |
| O1 | C13 | C12 | H122 | 27.7° | 120.0° |
| O1 | C13 | N | C14 | 0.2° | 0.0° |
| O1 | C13 | N | H | 179.7° | 179.9° |
| C13 | C12 | C11 | H121 | 125.2° | 120.0° |
| C13 | C12 | C11 | H122 | 125.2° | 120.0° |
| C13 | C12 | H121 | H122 | 117.2° | 120.0° |
| C13 | C12 | C11 | C10 | 44.9° | 180.0° |
| C13 | C12 | C11 | H111 | 80.3° | 60.0° |
| C13 | C12 | C11 | H112 | 170.1° | 60.0° |
| C12 | C13 | N | C14 | 179.0° | 180.0° |
| C12 | C13 | N | H | 1.0° | 0.1° |
| N | C13 | C12 | C11 | 81.8° | 180.0° |
| N | C13 | C12 | H121 | 43.5° | 60.0° |
| N | C13 | C12 | H122 | 153.0° | 60.0° |
| C13 | N | C14 | H | 180.0° | 179.9° |
| C13 | N | C14 | C15 | 127.8° | 150.0° |
| C13 | N | C14 | C29 | 107.0° | 89.9° |
| C13 | N | C14 | H14 | 8.8° | 30.0° |
| C11 | C12 | H121 | H122 | 117.3° | 120.0° |
| C12 | C11 | C10 | H111 | 125.2° | 120.0° |
| C12 | C11 | C10 | H112 | 125.2° | 120.0° |
| C12 | C11 | H111 | H112 | 117.0° | 120.0° |
| C12 | C11 | C10 | H101 | 54.9° | 59.9° |
| C12 | C11 | C10 | H102 | 54.4° | 60.0° |
| H121 | C12 | C11 | C10 | 170.1° | 60.0° |
| H121 | C12 | C11 | H111 | 44.9° | 180.0° |
| H121 | C12 | C11 | H112 | 64.6° | 60.0° |
| H122 | C12 | C11 | C10 | 80.3° | 60.0° |
| H122 | C12 | C11 | H111 | 154.5° | 60.0° |
| H122 | C12 | C11 | H112 | 44.9° | 180.0° |
| C10 | C11 | H111 | H112 | 117.1° | 120.0° |
| C11 | C10 | H101 | H102 | 117.2° | 120.0° |
| H111 | C11 | C10 | H101 | 70.3° | 179.9° |
| H111 | C11 | C10 | H102 | 179.6° | 60.0° |
| H112 | C11 | C10 | H101 | 179.8° | 60.0° |
| H112 | C11 | C10 | H102 | 70.8° | NaN° |
| N | C14 | C15 | C29 | 124.7° | 120.1° |
| N | C14 | C15 | H14 | 119.6° | 120.0° |
| N | C14 | C29 | H14 | 119.2° | 119.9° |
| N | C14 | C15 | C16 | 90.8° | 59.9° |
| N | C14 | C15 | H151 | 144.0° | 180.0° |
| N | C14 | C15 | H152 | 34.5° | 60.0° |
| N | C14 | C29 | C30 | 176.4° | 59.9° |
| N | C14 | C29 | H291 | 51.1° | 180.0° |
| N | C14 | C29 | H292 | 58.4° | 60.1° |
| H | N | C14 | C15 | 52.2° | 30.1° |
| H | N | C14 | C29 | 73.0° | 90.0° |
| H | N | C14 | H14 | 171.2° | 150.1° |
| C15 | C14 | C29 | H14 | 118.6° | 119.9° |
| C14 | C15 | C16 | H151 | 125.2° | 120.1° |
| C14 | C15 | C16 | H152 | 125.3° | 119.9° |
| C14 | C15 | H151 | H152 | 118.8° | 120.0° |
| C14 | C15 | C16 | C17 | 69.9° | 90.1° |
| C14 | C15 | C16 | C21 | 109.1° | 90.2° |
| C15 | C14 | C29 | C30 | 61.5° | 179.9° |
| C15 | C14 | C29 | H291 | 173.3° | 59.8° |
| C15 | C14 | C29 | H292 | 63.8° | 60.1° |
| C29 | C14 | C15 | C16 | 144.5° | 179.9° |
| C29 | C14 | C15 | H151 | 19.3° | 59.9° |
| C29 | C14 | C15 | H152 | 90.2° | 60.1° |
| C14 | C29 | C30 | H291 | 125.3° | 120.1° |
| C14 | C29 | C30 | H292 | 125.3° | 119.9° |
| C14 | C29 | H291 | H292 | 117.0° | 119.9° |
| C14 | C29 | C30 | C31 | 76.4° | 180.0° |
| C14 | C29 | C30 | H301 | 158.3° | 59.9° |
| C14 | C29 | C30 | H302 | 48.8° | 60.1° |
| H14 | C14 | C15 | C16 | 28.8° | 60.1° |
| H14 | C14 | C15 | H151 | 96.4° | 60.0° |
| H14 | C14 | C15 | H152 | 154.1° | 180.0° |
| H14 | C14 | C29 | C30 | 57.1° | 60.0° |
| H14 | C14 | C29 | H291 | 68.1° | 60.1° |
| H14 | C14 | C29 | H292 | 177.6° | 180.0° |
| C16 | C15 | H151 | H152 | 118.9° | 120.0° |
| C15 | C16 | C17 | C21 | 179.0° | 179.7° |
| C15 | C16 | C17 | C18 | 179.1° | 179.9° |
| C15 | C16 | C17 | H17 | 0.9° | 0.1° |
| C15 | C16 | C21 | C20 | 179.1° | 179.7° |
| C15 | C16 | C21 | H21 | 0.9° | 0.2° |
| H151 | C15 | C16 | C17 | 55.3° | 30.0° |
| H151 | C15 | C16 | C21 | 125.7° | 149.7° |
| H152 | C15 | C16 | C17 | 164.8° | 150.0° |
| H152 | C15 | C16 | C21 | 16.2° | 29.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C16 | C21 | C20 | 0.1° | 0.6° |
| C17 | C16 | C21 | H21 | 179.8° | 179.9° |
| C21 | C16 | C17 | C18 | 0.0° | 0.4° |
| C21 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | C21 | C20 | H21 | 180.0° | 179.4° |
| C16 | C21 | C20 | C19 | 0.3° | 0.6° |
| C16 | C21 | C20 | H20 | 179.7° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | O2 | 179.9° | 180.0° |
| H17 | C17 | C18 | C19 | 180.0° | 180.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| C18 | C19 | C20 | C21 | 0.3° | 0.3° |
| C18 | C19 | C20 | O2 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 179.7° | 180.0° |
| C18 | C19 | O2 | C22 | 139.1° | 180.0° |
| H18 | C18 | C19 | C20 | 179.9° | 179.9° |
| H18 | C18 | C19 | O2 | 0.1° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.7° |
| C21 | C20 | C19 | O2 | 179.8° | 179.7° |
| H21 | C21 | C20 | C19 | 179.7° | 179.9° |
| H21 | C21 | C20 | H20 | 0.3° | 0.3° |
| C20 | C19 | O2 | C22 | 40.8° | 0.0° |
| H20 | C20 | C19 | O2 | 0.2° | 0.0° |
| C19 | O2 | C22 | C23 | 163.7° | 180.0° |
| C19 | O2 | C22 | H221 | 71.1° | 60.0° |
| C19 | O2 | C22 | H222 | 38.4° | 60.0° |
| O2 | C22 | C23 | H221 | 125.2° | 120.0° |
| O2 | C22 | C23 | H222 | 125.2° | 120.0° |
| O2 | C22 | H221 | H222 | 115.8° | 120.0° |
| O2 | C22 | C23 | C24 | 115.3° | 89.9° |
| O2 | C22 | C23 | C28 | 63.9° | 90.3° |
| C30 | C29 | H291 | H292 | 116.8° | 120.0° |
| C29 | C30 | C31 | H301 | 125.3° | 120.0° |
| C29 | C30 | C31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 117.9° | 120.0° |
| C29 | C30 | C31 | O3 | 31.6° | 0.1° |
| C29 | C30 | C31 | O4T | 147.3° | 180.0° |
| H291 | C29 | C30 | C31 | 48.8° | 59.9° |
| H291 | C29 | C30 | H301 | 76.4° | 180.0° |
| H291 | C29 | C30 | H302 | 174.1° | 60.0° |
| H292 | C29 | C30 | C31 | 158.2° | 60.1° |
| H292 | C29 | C30 | H301 | 33.0° | 60.0° |
| H292 | C29 | C30 | H302 | 76.5° | 180.0° |
| C31 | C30 | H301 | H302 | 117.8° | 119.9° |
| C30 | C31 | O3 | O4T | 178.8° | 179.9° |
| C30 | C31 | O4T | HXT | 180.0° | 180.0° |
| H301 | C30 | C31 | O3 | 93.7° | 120.0° |
| H301 | C30 | C31 | O4T | 87.4° | 59.9° |
| H302 | C30 | C31 | O3 | 156.9° | 120.0° |
| H302 | C30 | C31 | O4T | 22.0° | 60.0° |
| O3 | C31 | O4T | HXT | 1.2° | 0.1° |
| C23 | C22 | H221 | H222 | 115.9° | 120.0° |
| C22 | C23 | C24 | C28 | 179.2° | 179.7° |
| C22 | C23 | C24 | C25 | 179.4° | 180.0° |
| C22 | C23 | C24 | H24 | 0.6° | 0.0° |
| C22 | C23 | C28 | C27 | 179.3° | 179.7° |
| C22 | C23 | C28 | H28 | 0.6° | 0.3° |
| H221 | C22 | C23 | C24 | 10.0° | 30.0° |
| H221 | C22 | C23 | C28 | 170.9° | 149.7° |
| H222 | C22 | C23 | C24 | 119.5° | 150.0° |
| H222 | C22 | C23 | C28 | 61.3° | 29.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C23 | C28 | C27 | 0.1° | 0.5° |
| C24 | C23 | C28 | H28 | 179.8° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C28 | C23 | C24 | C25 | 0.2° | 0.3° |
| C28 | C23 | C24 | H24 | 179.8° | 179.7° |
| C23 | C28 | C27 | H28 | 180.0° | 179.5° |
| C23 | C28 | C27 | C26 | 0.2° | 0.5° |
| C23 | C28 | C27 | H27 | 179.9° | 179.7° |
| C24 | C25 | C26 | H25 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C24 | C25 | C26 | H26 | 179.7° | 180.0° |
| H24 | C24 | C25 | C26 | 179.8° | 179.9° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.3° |
| C28 | C27 | C26 | H27 | 179.9° | 179.8° |
| C28 | C27 | C26 | H26 | 179.7° | 179.8° |
| H28 | C28 | C27 | C26 | 179.8° | 180.0° |
| H28 | C28 | C27 | H27 | 0.1° | 0.2° |
| C25 | C26 | C27 | H26 | 179.9° | 179.9° |
| C25 | C26 | C27 | H27 | 179.8° | 179.9° |
| H25 | C25 | C26 | C27 | 179.8° | 180.0° |
| H25 | C25 | C26 | H26 | 0.2° | 0.1° |
| H27 | C27 | C26 | H26 | 0.2° | 0.0° |
