BLD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C10 | sing | 1.53Å | 1.49Å | |
| C01 | H101 | sing | 1.09Å | 1.10Å | |
| C01 | H201 | sing | 1.09Å | 1.10Å | |
| C02 | C03 | sing | 1.52Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| O02 | C02 | sing | 1.44Å | 1.39Å | |
| O02 | HO02 | sing | 0.97Å | 0.95Å | |
| C03 | C04 | sing | 1.53Å | 1.50Å | |
| C03 | H03 | sing | 1.10Å | 1.10Å | |
| O03 | C03 | sing | 1.43Å | 1.43Å | |
| O03 | HO03 | sing | 0.97Å | 0.95Å | |
| C04 | C05 | sing | 1.52Å | 1.54Å | |
| C04 | H104 | sing | 1.08Å | 1.10Å | |
| C04 | H204 | sing | 1.10Å | 1.10Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C05 | H05 | sing | 1.11Å | 1.10Å | |
| C06 | O06 | doub | 1.21Å | 1.39Å | |
| C06 | O07 | sing | 1.34Å | 1.37Å | |
| C07 | O07 | sing | 1.43Å | 1.36Å | |
| C07 | H107 | sing | 1.09Å | 1.10Å | |
| C07 | H207 | sing | 1.09Å | 1.10Å | |
| C08 | C07 | sing | 1.53Å | 1.60Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C09 | C11 | sing | 1.53Å | 1.46Å | |
| C09 | C08 | sing | 1.53Å | 1.49Å | |
| C09 | H09 | sing | 1.11Å | 1.10Å | |
| C10 | C09 | sing | 1.50Å | 1.68Å | |
| C10 | C05 | sing | 1.49Å | 1.50Å | |
| C10 | C19 | sing | 1.52Å | 1.45Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H211 | sing | 1.08Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.52Å | 1.51Å | |
| C12 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H212 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.54Å | 1.46Å | |
| C13 | C18 | sing | 1.53Å | 1.51Å | |
| C14 | C08 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H115 | sing | 1.09Å | 1.10Å | |
| C15 | H215 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.55Å | 1.52Å | |
| C16 | H116 | sing | 1.09Å | 1.10Å | |
| C16 | H216 | sing | 1.09Å | 1.10Å | |
| C17 | C13 | sing | 1.54Å | 1.51Å | |
| C17 | C20 | sing | 1.53Å | 1.47Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H118 | sing | 1.09Å | 1.10Å | |
| C18 | H218 | sing | 1.09Å | 1.10Å | |
| C18 | H318 | sing | 1.09Å | 1.10Å | |
| C19 | H119 | sing | 1.09Å | 1.10Å | |
| C19 | H219 | sing | 1.09Å | 1.10Å | |
| C19 | H319 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | H121 | sing | 1.09Å | 1.10Å | |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| C21 | H321 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O22 | C22 | sing | 1.43Å | 1.36Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O23 | C23 | sing | 1.43Å | 1.41Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C28 | sing | 1.53Å | 1.50Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C25 | sing | 1.53Å | 1.49Å | |
| C26 | H126 | sing | 1.09Å | 1.10Å | |
| C26 | H226 | sing | 1.09Å | 1.10Å | |
| C26 | H326 | sing | 1.09Å | 1.10Å | |
| C27 | H127 | sing | 1.09Å | 1.10Å | |
| C27 | H227 | sing | 1.09Å | 1.10Å | |
| C27 | H327 | sing | 1.09Å | 1.10Å | |
| C28 | H128 | sing | 1.09Å | 1.10Å | |
| C28 | H228 | sing | 1.09Å | 1.10Å | |
| C28 | H328 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C01 | H101 | 105.8° | 108.7° |
| C10 | C01 | H201 | 105.8° | 109.4° |
| C10 | C01 | C02 | 121.1° | 111.5° |
| C01 | C10 | C09 | 116.0° | 112.9° |
| C01 | C10 | C05 | 116.1° | 109.7° |
| C01 | C10 | C19 | 103.3° | 101.3° |
| H101 | C01 | H201 | 112.9° | 108.6° |
| H101 | C01 | C02 | 105.8° | 109.8° |
| H201 | C01 | C02 | 105.8° | 108.7° |
| C03 | C02 | C01 | 113.3° | 112.8° |
| C03 | C02 | H02 | 103.7° | 109.7° |
| C03 | C02 | O02 | 112.8° | 108.1° |
| C02 | C03 | C04 | 110.7° | 111.9° |
| C02 | C03 | H03 | 108.8° | 108.6° |
| C02 | C03 | O03 | 110.6° | 109.8° |
| C01 | C02 | H02 | 109.5° | 111.3° |
| C01 | C02 | O02 | 107.4° | 108.2° |
| H02 | C02 | O02 | 110.0° | 106.6° |
| C02 | O02 | HO02 | 109.5° | 114.0° |
| C04 | C03 | H03 | 107.1° | 108.5° |
| C04 | C03 | O03 | 112.1° | 109.7° |
| C03 | C04 | C05 | 111.9° | 109.1° |
| C03 | C04 | H104 | 108.7° | 111.0° |
| C03 | C04 | H204 | 108.6° | 108.3° |
| H03 | C03 | O03 | 107.3° | 108.2° |
| C03 | O03 | HO03 | 109.5° | 114.0° |
| C05 | C04 | H104 | 108.7° | 112.8° |
| C05 | C04 | H204 | 108.7° | 108.3° |
| C04 | C05 | C06 | 105.3° | 111.4° |
| C04 | C05 | H05 | 110.4° | 106.0° |
| C04 | C05 | C10 | 114.3° | 113.4° |
| H104 | C04 | H204 | 110.3° | 107.2° |
| C06 | C05 | H05 | 111.7° | 105.6° |
| C05 | C06 | O06 | 108.9° | 121.3° |
| C05 | C06 | O07 | 114.6° | 117.8° |
| C06 | C05 | C10 | 113.1° | 113.8° |
| H05 | C05 | C10 | 102.2° | 105.7° |
| O06 | C06 | O07 | 107.4° | 120.9° |
| C06 | O07 | C07 | 115.0° | 118.9° |
| O07 | C07 | H107 | 108.8° | 108.5° |
| O07 | C07 | H207 | 108.8° | 108.3° |
| O07 | C07 | C08 | 111.5° | 114.7° |
| H107 | C07 | H207 | 110.1° | 108.2° |
| H107 | C07 | C08 | 108.8° | 108.6° |
| H207 | C07 | C08 | 108.8° | 108.3° |
| C07 | C08 | H08 | 104.6° | 110.1° |
| C07 | C08 | C09 | 112.6° | 109.0° |
| C07 | C08 | C14 | 111.8° | 105.9° |
| H08 | C08 | C09 | 110.7° | 115.3° |
| H08 | C08 | C14 | 111.4° | 108.1° |
| C11 | C09 | C08 | 111.9° | 112.8° |
| C11 | C09 | H09 | 109.9° | 106.6° |
| C11 | C09 | C10 | 111.0° | 108.4° |
| C09 | C11 | H111 | 109.5° | 107.6° |
| C09 | C11 | H211 | 109.5° | 110.0° |
| C09 | C11 | C12 | 109.3° | 114.0° |
| C08 | C09 | H09 | 102.4° | 107.4° |
| C08 | C09 | C10 | 117.2° | 114.5° |
| C09 | C08 | C14 | 105.9° | 107.9° |
| H09 | C09 | C10 | 103.5° | 106.8° |
| C09 | C10 | C05 | 112.6° | 120.3° |
| C09 | C10 | C19 | 108.3° | 105.1° |
| C05 | C10 | C19 | 98.0° | 105.2° |
| C10 | C19 | H119 | 109.5° | 109.5° |
| C10 | C19 | H219 | 109.5° | 109.4° |
| C10 | C19 | H319 | 109.5° | 109.5° |
| H111 | C11 | H211 | 109.4° | 108.0° |
| H111 | C11 | C12 | 109.5° | 107.5° |
| H211 | C11 | C12 | 109.5° | 109.7° |
| C11 | C12 | C13 | 111.6° | 108.0° |
| C11 | C12 | H112 | 108.8° | 109.5° |
| C11 | C12 | H212 | 108.8° | 109.8° |
| C13 | C12 | H112 | 108.8° | 110.0° |
| C13 | C12 | H212 | 108.8° | 110.3° |
| C12 | C13 | C14 | 112.8° | 106.6° |
| C12 | C13 | C18 | 105.1° | 111.4° |
| C12 | C13 | C17 | 123.7° | 115.4° |
| H112 | C12 | H212 | 110.2° | 109.2° |
| C14 | C13 | C18 | 110.5° | 112.3° |
| C13 | C14 | C08 | 112.8° | 110.0° |
| C13 | C14 | C15 | 103.4° | 102.7° |
| C13 | C14 | H14 | 112.8° | 109.9° |
| C14 | C13 | C17 | 100.0° | 101.8° |
| C18 | C13 | C17 | 104.2° | 109.0° |
| C13 | C18 | H118 | 109.5° | 109.5° |
| C13 | C18 | H218 | 109.4° | 109.5° |
| C13 | C18 | H318 | 109.5° | 109.5° |
| C08 | C14 | C15 | 113.5° | 115.5° |
| C08 | C14 | H14 | 102.6° | 108.9° |
| C15 | C14 | H14 | 112.1° | 109.8° |
| C14 | C15 | H115 | 112.1° | 111.1° |
| C14 | C15 | H215 | 112.1° | 110.5° |
| C14 | C15 | C16 | 101.8° | 103.9° |
| H115 | C15 | H215 | 106.7° | 109.9° |
| H115 | C15 | C16 | 112.1° | 111.0° |
| H215 | C15 | C16 | 112.1° | 110.3° |
| C15 | C16 | H116 | 110.7° | 109.9° |
| C15 | C16 | H216 | 110.7° | 110.4° |
| C15 | C16 | C17 | 105.8° | 106.7° |
| H116 | C16 | H216 | 108.2° | 109.9° |
| H116 | C16 | C17 | 110.7° | 109.8° |
| H216 | C16 | C17 | 110.7° | 110.2° |
| C13 | C17 | C20 | 116.7° | 110.1° |
| C13 | C17 | C16 | 103.4° | 104.1° |
| C13 | C17 | H17 | 109.6° | 110.3° |
| C20 | C17 | C16 | 111.6° | 110.4° |
| C20 | C17 | H17 | 101.1° | 111.0° |
| C17 | C20 | H20 | 104.7° | 109.5° |
| C17 | C20 | C21 | 116.4° | 109.5° |
| C17 | C20 | C22 | 107.5° | 109.5° |
| C16 | C17 | H17 | 114.9° | 110.8° |
| H118 | C18 | H218 | 109.4° | 109.4° |
| H118 | C18 | H318 | 109.5° | 109.4° |
| H218 | C18 | H318 | 109.5° | 109.5° |
| H119 | C19 | H219 | 109.5° | 109.5° |
| H119 | C19 | H319 | 109.5° | 109.5° |
| H219 | C19 | H319 | 109.4° | 109.4° |
| H20 | C20 | C21 | 107.7° | 109.4° |
| H20 | C20 | C22 | 116.6° | 109.5° |
| C20 | C21 | H121 | 109.5° | 109.5° |
| C20 | C21 | H221 | 109.5° | 109.5° |
| C20 | C21 | H321 | 109.5° | 109.5° |
| C21 | C20 | C22 | 104.5° | 109.5° |
| H121 | C21 | H221 | 109.5° | 109.5° |
| H121 | C21 | H321 | 109.5° | 109.4° |
| H221 | C21 | H321 | 109.5° | 109.5° |
| C23 | C22 | C20 | 115.1° | 109.5° |
| C23 | C22 | H22 | 106.1° | 109.4° |
| C23 | C22 | O22 | 108.4° | 109.5° |
| C22 | C23 | C24 | 114.3° | 109.5° |
| C22 | C23 | H23 | 102.9° | 109.4° |
| C22 | C23 | O23 | 112.9° | 109.5° |
| C20 | C22 | H22 | 105.8° | 109.5° |
| C20 | C22 | O22 | 108.7° | 109.5° |
| H22 | C22 | O22 | 112.8° | 109.5° |
| C22 | O22 | HO22 | 109.5° | 114.0° |
| C24 | C23 | H23 | 108.7° | 109.4° |
| C24 | C23 | O23 | 107.6° | 109.5° |
| C23 | C24 | C25 | 112.2° | 109.5° |
| C23 | C24 | C28 | 113.6° | 109.5° |
| C23 | C24 | H24 | 104.4° | 109.5° |
| H23 | C23 | O23 | 110.2° | 109.5° |
| C23 | O23 | HO23 | 109.5° | 114.0° |
| C25 | C24 | C28 | 108.8° | 109.5° |
| C25 | C24 | H24 | 109.7° | 109.5° |
| C24 | C25 | C27 | 114.1° | 109.5° |
| C24 | C25 | H25 | 107.0° | 109.5° |
| C24 | C25 | C26 | 110.9° | 109.5° |
| C28 | C24 | H24 | 108.1° | 109.4° |
| C24 | C28 | H128 | 109.5° | 109.5° |
| C24 | C28 | H228 | 109.4° | 109.5° |
| C24 | C28 | H328 | 109.4° | 109.5° |
| C27 | C25 | H25 | 103.0° | 109.4° |
| C27 | C25 | C26 | 114.2° | 109.5° |
| C25 | C27 | H127 | 109.5° | 109.5° |
| C25 | C27 | H227 | 109.4° | 109.5° |
| C25 | C27 | H327 | 109.4° | 109.5° |
| H25 | C25 | C26 | 106.8° | 109.5° |
| C25 | C26 | H126 | 109.5° | 109.5° |
| C25 | C26 | H226 | 109.5° | 109.5° |
| C25 | C26 | H326 | 109.4° | 109.5° |
| H126 | C26 | H226 | 109.4° | 109.5° |
| H126 | C26 | H326 | 109.5° | 109.4° |
| H226 | C26 | H326 | 109.5° | 109.4° |
| H127 | C27 | H227 | 109.5° | 109.5° |
| H127 | C27 | H327 | 109.5° | 109.5° |
| H227 | C27 | H327 | 109.5° | 109.5° |
| H128 | C28 | H228 | 109.5° | 109.5° |
| H128 | C28 | H328 | 109.5° | 109.4° |
| H228 | C28 | H328 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C01 | H101 | H201 | 115.2° | 119.0° |
| C10 | C01 | H101 | C02 | 129.6° | 122.2° |
| C10 | C01 | H201 | C02 | 129.6° | 122.1° |
| C10 | C01 | C02 | C03 | 28.7° | 52.2° |
| C10 | C01 | C02 | H02 | 86.6° | 71.6° |
| C10 | C01 | C02 | O02 | 154.0° | 171.7° |
| C01 | C10 | C05 | C04 | 29.5° | 58.8° |
| C01 | C10 | C05 | C06 | 150.0° | 172.4° |
| C01 | C10 | C05 | H05 | 89.8° | 56.9° |
| C01 | C10 | C09 | C11 | 56.4° | 17.7° |
| C01 | C10 | C09 | C08 | 173.3° | 144.5° |
| C01 | C10 | C09 | H09 | 61.5° | 96.8° |
| C01 | C10 | C09 | C05 | 137.3° | 132.3° |
| C01 | C10 | C09 | C19 | 115.5° | 109.6° |
| C01 | C10 | C05 | C19 | 109.1° | 108.2° |
| C01 | C10 | C19 | H119 | 180.0° | 60.0° |
| C01 | C10 | C19 | H219 | 60.0° | 180.0° |
| C01 | C10 | C19 | H319 | 60.0° | 60.0° |
| H101 | C01 | H201 | C02 | 115.2° | 119.5° |
| H101 | C01 | C02 | C03 | 148.7° | 68.4° |
| H101 | C01 | C02 | H02 | 33.4° | 167.9° |
| H101 | C01 | C02 | O02 | 86.0° | 51.1° |
| H101 | C01 | C10 | C09 | 85.3° | 70.5° |
| H101 | C01 | C10 | C05 | 138.9° | 66.8° |
| H101 | C01 | C10 | C19 | 33.0° | 177.6° |
| H201 | C01 | C02 | C03 | 91.3° | 172.9° |
| H201 | C01 | C02 | H02 | 153.4° | 49.2° |
| H201 | C01 | C02 | O02 | 34.0° | 67.6° |
| H201 | C01 | C10 | C09 | 34.6° | 48.0° |
| H201 | C01 | C10 | C05 | 101.1° | 174.8° |
| H201 | C01 | C10 | C19 | 153.0° | 64.0° |
| C03 | C02 | C01 | H02 | 115.3° | 123.7° |
| C03 | C02 | C01 | O02 | 125.3° | 119.5° |
| C03 | C02 | H02 | O02 | 120.9° | 116.7° |
| C03 | C02 | O02 | HO02 | 180.0° | 60.0° |
| C02 | C03 | C04 | H03 | 118.5° | 119.9° |
| C02 | C03 | C04 | O03 | 124.1° | 122.1° |
| C02 | C03 | H03 | O03 | 119.7° | 119.1° |
| C02 | C03 | O03 | HO03 | 180.0° | 60.0° |
| C02 | C03 | C04 | C05 | 61.6° | 53.3° |
| C02 | C03 | C04 | H104 | 58.4° | 71.6° |
| C02 | C03 | C04 | H204 | 178.4° | 171.0° |
| C01 | C02 | H02 | O02 | 117.8° | 117.8° |
| C01 | C02 | O02 | HO02 | 54.5° | 177.6° |
| C01 | C02 | C03 | C04 | 49.0° | 52.1° |
| C01 | C02 | C03 | H03 | 166.4° | 172.0° |
| C01 | C02 | C03 | O03 | 76.0° | 69.9° |
| C02 | C01 | C10 | C09 | 154.7° | 168.3° |
| C02 | C01 | C10 | C05 | 18.9° | 54.4° |
| C02 | C01 | C10 | C19 | 87.0° | 56.4° |
| H02 | C02 | O02 | HO02 | 64.7° | 57.8° |
| H02 | C02 | C03 | C04 | 69.7° | 72.5° |
| H02 | C02 | C03 | H03 | 47.8° | 47.3° |
| H02 | C02 | C03 | O03 | 165.3° | 165.5° |
| O02 | C02 | C03 | C04 | 171.3° | 171.7° |
| O02 | C02 | C03 | H03 | 71.2° | 68.5° |
| O02 | C02 | C03 | O03 | 46.3° | 49.7° |
| C04 | C03 | H03 | O03 | 120.6° | 118.9° |
| C04 | C03 | O03 | HO03 | 55.9° | 176.7° |
| C03 | C04 | C05 | H104 | 120.0° | 123.9° |
| C03 | C04 | C05 | H204 | 120.0° | 117.7° |
| C03 | C04 | H104 | H204 | 119.0° | 118.1° |
| C03 | C04 | C05 | C06 | 176.4° | 171.8° |
| C03 | C04 | C05 | H05 | 62.8° | 57.4° |
| C03 | C04 | C05 | C10 | 51.7° | 58.2° |
| H03 | C03 | O03 | HO03 | 61.5° | 58.4° |
| H03 | C03 | C04 | C05 | 179.9° | 173.2° |
| H03 | C03 | C04 | H104 | 60.1° | 48.3° |
| H03 | C03 | C04 | H204 | 59.9° | 69.2° |
| O03 | C03 | C04 | C05 | 62.5° | 68.8° |
| O03 | C03 | C04 | H104 | 177.5° | 166.3° |
| O03 | C03 | C04 | H204 | 57.5° | 48.9° |
| C05 | C04 | H104 | H204 | 119.0° | 119.1° |
| C04 | C05 | C06 | H05 | 119.9° | 114.7° |
| C04 | C05 | C06 | C10 | 125.5° | 129.8° |
| C04 | C05 | H05 | C10 | 122.0° | 120.7° |
| C04 | C05 | C06 | O06 | 26.6° | 83.3° |
| C04 | C05 | C06 | O07 | 146.9° | 97.1° |
| C04 | C05 | C10 | C09 | 166.7° | 167.5° |
| C04 | C05 | C10 | C19 | 79.6° | 49.4° |
| H104 | C04 | C05 | C06 | 56.4° | 64.3° |
| H104 | C04 | C05 | H05 | 177.2° | 178.8° |
| H104 | C04 | C05 | C10 | 68.3° | 65.6° |
| H204 | C04 | C05 | C06 | 63.6° | 54.2° |
| H204 | C04 | C05 | H05 | 57.2° | 60.3° |
| H204 | C04 | C05 | C10 | 171.7° | 175.9° |
| C06 | C05 | H05 | C10 | 121.2° | 120.9° |
| C05 | C06 | O06 | O07 | 124.6° | 179.6° |
| C05 | C06 | O07 | C07 | 11.9° | 86.1° |
| C06 | C05 | C10 | C09 | 72.9° | 38.8° |
| C06 | C05 | C10 | C19 | 40.9° | 79.4° |
| H05 | C05 | C06 | O06 | 93.3° | 31.4° |
| H05 | C05 | C06 | O07 | 27.0° | 148.2° |
| H05 | C05 | C10 | C09 | 47.4° | 76.7° |
| H05 | C05 | C10 | C19 | 161.1° | 165.2° |
| O06 | C06 | O07 | C07 | 133.0° | 93.5° |
| O06 | C06 | C05 | C10 | 152.1° | 146.9° |
| C06 | O07 | C07 | H107 | 165.9° | 157.2° |
| C06 | O07 | C07 | H207 | 45.9° | 39.9° |
| C06 | O07 | C07 | C08 | 74.1° | 81.3° |
| O07 | C06 | C05 | C10 | 87.6° | 32.7° |
| O07 | C07 | H107 | H207 | 119.2° | 117.3° |
| O07 | C07 | H107 | C08 | 121.6° | 125.3° |
| O07 | C07 | H207 | C08 | 121.6° | 125.0° |
| O07 | C07 | C08 | H08 | 27.2° | 68.8° |
| O07 | C07 | C08 | C09 | 93.0° | 58.7° |
| O07 | C07 | C08 | C14 | 147.9° | 174.6° |
| H107 | C07 | H207 | C08 | 119.2° | 117.5° |
| H107 | C07 | C08 | H08 | 92.7° | 52.8° |
| H107 | C07 | C08 | C09 | 147.1° | 179.7° |
| H107 | C07 | C08 | C14 | 27.9° | 63.8° |
| H207 | C07 | C08 | H08 | 147.2° | 170.1° |
| H207 | C07 | C08 | C09 | 27.0° | 62.5° |
| H207 | C07 | C08 | C14 | 92.1° | 53.4° |
| C07 | C08 | H08 | C09 | 121.5° | 123.9° |
| C07 | C08 | H08 | C14 | 121.0° | 115.2° |
| C07 | C08 | C09 | C11 | 174.0° | 165.3° |
| C07 | C08 | C09 | C14 | 122.5° | 114.6° |
| C07 | C08 | C09 | H09 | 68.3° | 48.2° |
| C07 | C08 | C09 | C10 | 44.2° | 70.1° |
| C07 | C08 | C14 | C13 | 179.3° | 178.0° |
| C07 | C08 | C14 | C15 | 62.1° | 66.4° |
| C07 | C08 | C14 | H14 | 59.0° | 57.5° |
| H08 | C08 | C09 | C11 | 57.4° | 70.2° |
| H08 | C08 | C09 | C14 | 120.8° | 121.0° |
| H08 | C08 | C09 | H09 | 175.0° | 172.7° |
| H08 | C08 | C09 | C10 | 72.5° | 54.3° |
| H08 | C08 | C14 | C13 | 62.7° | 64.0° |
| H08 | C08 | C14 | C15 | 54.5° | 51.6° |
| H08 | C08 | C14 | H14 | 175.7° | 175.5° |
| C11 | C09 | C08 | H09 | 117.6° | 117.1° |
| C11 | C09 | C08 | C10 | 129.9° | 124.5° |
| C11 | C09 | H09 | C10 | 118.6° | 115.7° |
| C11 | C09 | C10 | C05 | 166.4° | 150.0° |
| C11 | C09 | C10 | C19 | 59.1° | 91.8° |
| C09 | C11 | H111 | H211 | 120.1° | 118.6° |
| C09 | C11 | H111 | C12 | 119.9° | 123.1° |
| C09 | C11 | H211 | C12 | 119.9° | 126.1° |
| C09 | C11 | C12 | C13 | 52.9° | 55.3° |
| C09 | C11 | C12 | H112 | 67.1° | 64.4° |
| C09 | C11 | C12 | H212 | 172.9° | 175.7° |
| C11 | C09 | C08 | C14 | 63.4° | 50.8° |
| C08 | C09 | H09 | C10 | 122.3° | 123.2° |
| C08 | C09 | C10 | C05 | 36.1° | 83.2° |
| C08 | C09 | C10 | C19 | 71.2° | 35.0° |
| C08 | C09 | C11 | H111 | 177.3° | 168.6° |
| C08 | C09 | C11 | H211 | 57.3° | 74.0° |
| C08 | C09 | C11 | C12 | 62.7° | 49.6° |
| C09 | C08 | C14 | C13 | 57.7° | 61.4° |
| C09 | C08 | C14 | C15 | 174.9° | 176.9° |
| C09 | C08 | C14 | H14 | 64.0° | 59.1° |
| H09 | C09 | C10 | C05 | 75.8° | 35.5° |
| H09 | C09 | C10 | C19 | 177.0° | 153.7° |
| H09 | C09 | C11 | H111 | 69.6° | 51.0° |
| H09 | C09 | C11 | H211 | 170.4° | 168.4° |
| H09 | C09 | C11 | C12 | 50.4° | 68.0° |
| H09 | C09 | C08 | C14 | 54.2° | 66.4° |
| C09 | C10 | C05 | C19 | 113.7° | 118.2° |
| C10 | C09 | C11 | H111 | 44.3° | 63.6° |
| C10 | C09 | C11 | H211 | 75.7° | 53.8° |
| C10 | C09 | C11 | C12 | 164.3° | 177.4° |
| C10 | C09 | C08 | C14 | 166.7° | 175.3° |
| C09 | C10 | C19 | H119 | 56.5° | 177.8° |
| C09 | C10 | C19 | H219 | 63.5° | 62.2° |
| C09 | C10 | C19 | H319 | 176.5° | 57.8° |
| C05 | C10 | C19 | H119 | 60.6° | 54.2° |
| C05 | C10 | C19 | H219 | 179.3° | 65.8° |
| C05 | C10 | C19 | H319 | 59.4° | 174.3° |
| C10 | C19 | H119 | H219 | 120.0° | 120.0° |
| C10 | C19 | H119 | H319 | 120.0° | 120.1° |
| C10 | C19 | H219 | H319 | 120.0° | 120.0° |
| H111 | C11 | H211 | C12 | 120.1° | 116.8° |
| H111 | C11 | C12 | C13 | 172.9° | 174.4° |
| H111 | C11 | C12 | H112 | 52.9° | 54.7° |
| H111 | C11 | C12 | H212 | 67.1° | 65.2° |
| H211 | C11 | C12 | C13 | 67.1° | 68.4° |
| H211 | C11 | C12 | H112 | 172.9° | 171.8° |
| H211 | C11 | C12 | H212 | 52.9° | 51.9° |
| C11 | C12 | C13 | H112 | 120.0° | 119.4° |
| C11 | C12 | C13 | H212 | 120.0° | 120.0° |
| C11 | C12 | H112 | H212 | 119.1° | 120.3° |
| C11 | C12 | C13 | C14 | 49.1° | 63.1° |
| C11 | C12 | C13 | C18 | 71.3° | 59.7° |
| C11 | C12 | C13 | C17 | 169.6° | 175.2° |
| C13 | C12 | H112 | H212 | 119.1° | 121.2° |
| C12 | C13 | C14 | C18 | 117.2° | 122.3° |
| C12 | C13 | C14 | C17 | 133.3° | 121.2° |
| C12 | C13 | C18 | C17 | 131.4° | 128.5° |
| C12 | C13 | C14 | C08 | 52.4° | 69.1° |
| C12 | C13 | C14 | C15 | 175.4° | 167.5° |
| C12 | C13 | C14 | H14 | 63.2° | 50.7° |
| C12 | C13 | C17 | C20 | 71.3° | 89.5° |
| C12 | C13 | C17 | C16 | 165.8° | 152.1° |
| C12 | C13 | C17 | H17 | 42.7° | 33.2° |
| C12 | C13 | C18 | H118 | 180.0° | 60.7° |
| C12 | C13 | C18 | H218 | 60.0° | 179.3° |
| C12 | C13 | C18 | H318 | 60.0° | 59.3° |
| H112 | C12 | C13 | C14 | 70.9° | 56.3° |
| H112 | C12 | C13 | C18 | 168.7° | 179.2° |
| H112 | C12 | C13 | C17 | 49.6° | 55.8° |
| H212 | C12 | C13 | C14 | 169.0° | 176.8° |
| H212 | C12 | C13 | C18 | 48.7° | 60.3° |
| H212 | C12 | C13 | C17 | 70.4° | 64.7° |
| C14 | C13 | C18 | C17 | 106.6° | 112.0° |
| C13 | C14 | C08 | C15 | 117.2° | 115.5° |
| C13 | C14 | C08 | H14 | 121.6° | 120.5° |
| C13 | C14 | C15 | H14 | 121.8° | 116.8° |
| C13 | C14 | C15 | H115 | 78.0° | 82.7° |
| C13 | C14 | C15 | H215 | 162.0° | 155.0° |
| C13 | C14 | C15 | C16 | 42.0° | 36.7° |
| C14 | C13 | C17 | C20 | 162.4° | 155.6° |
| C14 | C13 | C17 | C16 | 39.5° | 37.3° |
| C14 | C13 | C17 | H17 | 83.5° | 81.7° |
| C14 | C13 | C18 | H118 | 58.1° | 58.8° |
| C14 | C13 | C18 | H218 | 178.1° | 61.2° |
| C14 | C13 | C18 | H318 | 61.9° | 178.8° |
| C18 | C13 | C14 | C08 | 64.8° | 53.1° |
| C18 | C13 | C14 | C15 | 58.2° | 70.2° |
| C18 | C13 | C14 | H14 | 179.5° | 173.0° |
| C18 | C13 | C17 | C20 | 48.2° | 36.7° |
| C18 | C13 | C17 | C16 | 74.8° | 81.6° |
| C18 | C13 | C17 | H17 | 162.2° | 159.5° |
| C13 | C18 | H118 | H218 | 120.0° | 120.0° |
| C13 | C18 | H118 | H318 | 120.0° | 120.0° |
| C13 | C18 | H218 | H318 | 120.0° | 120.1° |
| C08 | C14 | C15 | H14 | 115.7° | 123.5° |
| C08 | C14 | C15 | H115 | 44.5° | 37.0° |
| C08 | C14 | C15 | H215 | 75.5° | 85.3° |
| C08 | C14 | C15 | C16 | 164.5° | 156.3° |
| C08 | C14 | C13 | C17 | 174.3° | 169.6° |
| C14 | C15 | H115 | H215 | 123.1° | 122.7° |
| C14 | C15 | H115 | C16 | 113.8° | 115.0° |
| C14 | C15 | H215 | C16 | 113.8° | 114.3° |
| C14 | C15 | C16 | H116 | 136.0° | 132.5° |
| C14 | C15 | C16 | H216 | 104.0° | 106.1° |
| C15 | C14 | C13 | C17 | 51.2° | 46.2° |
| C14 | C15 | C16 | C17 | 16.0° | 13.5° |
| H14 | C14 | C15 | H115 | 160.2° | 160.5° |
| H14 | C14 | C15 | H215 | 40.2° | 38.2° |
| H14 | C14 | C15 | C16 | 79.8° | 80.2° |
| H14 | C14 | C13 | C17 | 70.1° | 70.5° |
| H115 | C15 | H215 | C16 | 123.1° | 122.7° |
| H115 | C15 | C16 | H116 | 16.0° | 13.1° |
| H115 | C15 | C16 | H216 | 136.0° | 134.4° |
| H115 | C15 | C16 | C17 | 104.0° | 105.9° |
| H215 | C15 | C16 | H116 | 104.1° | 109.1° |
| H215 | C15 | C16 | H216 | 16.0° | 12.3° |
| H215 | C15 | C16 | C17 | 135.9° | 132.0° |
| C15 | C16 | H116 | H216 | 121.5° | 121.6° |
| C15 | C16 | H116 | C17 | 117.0° | 117.0° |
| C15 | C16 | H216 | C17 | 117.0° | 117.5° |
| C15 | C16 | C17 | C13 | 14.2° | 14.9° |
| C15 | C16 | C17 | C20 | 140.5° | 133.1° |
| C15 | C16 | C17 | H17 | 105.2° | 103.6° |
| H116 | C16 | H216 | C17 | 121.5° | 121.2° |
| H116 | C16 | C17 | C13 | 105.8° | 104.1° |
| H116 | C16 | C17 | C20 | 20.5° | 14.1° |
| H116 | C16 | C17 | H17 | 134.8° | 137.4° |
| H216 | C16 | C17 | C13 | 134.2° | 134.7° |
| H216 | C16 | C17 | C20 | 99.5° | 107.2° |
| H216 | C16 | C17 | H17 | 14.8° | 16.1° |
| C13 | C17 | C20 | C16 | 118.6° | 114.4° |
| C13 | C17 | C20 | H17 | 118.8° | 122.3° |
| C13 | C17 | C16 | H17 | 119.4° | 118.5° |
| C17 | C13 | C18 | H118 | 48.5° | 170.8° |
| C17 | C13 | C18 | H218 | 71.4° | 50.8° |
| C17 | C13 | C18 | H318 | 168.6° | 69.2° |
| C13 | C17 | C20 | H20 | 71.3° | 54.2° |
| C13 | C17 | C20 | C21 | 47.4° | 65.8° |
| C13 | C17 | C20 | C22 | 164.1° | 174.2° |
| C20 | C17 | C16 | H17 | 114.3° | 123.3° |
| C17 | C20 | H20 | C21 | 124.5° | 120.0° |
| C17 | C20 | H20 | C22 | 118.6° | 120.0° |
| C17 | C20 | C21 | C22 | 118.3° | 120.0° |
| C17 | C20 | C21 | H121 | 180.0° | 67.1° |
| C17 | C20 | C21 | H221 | 60.0° | 172.8° |
| C17 | C20 | C21 | H321 | 60.0° | 52.8° |
| C17 | C20 | C22 | C23 | 174.2° | 178.2° |
| C17 | C20 | C22 | H22 | 57.4° | 58.3° |
| C17 | C20 | C22 | O22 | 64.1° | 61.7° |
| C16 | C17 | C20 | H20 | 47.2° | 60.2° |
| C16 | C17 | C20 | C21 | 165.9° | 179.8° |
| C16 | C17 | C20 | C22 | 77.4° | 59.8° |
| H17 | C17 | C20 | H20 | 169.9° | 176.5° |
| H17 | C17 | C20 | C21 | 71.4° | 56.5° |
| H17 | C17 | C20 | C22 | 45.3° | 63.4° |
| H118 | C18 | H218 | H318 | 120.0° | 119.9° |
| H119 | C19 | H219 | H319 | 120.0° | 120.0° |
| H20 | C20 | C21 | C22 | 124.6° | 120.0° |
| H20 | C20 | C21 | H121 | 62.9° | 52.9° |
| H20 | C20 | C21 | H221 | 177.1° | 67.2° |
| H20 | C20 | C21 | H321 | 57.1° | 172.8° |
| H20 | C20 | C22 | C23 | 57.1° | 58.2° |
| H20 | C20 | C22 | H22 | 59.7° | 61.7° |
| H20 | C20 | C22 | O22 | 178.9° | 178.2° |
| C20 | C21 | H121 | H221 | 120.0° | 120.0° |
| C20 | C21 | H121 | H321 | 120.0° | 120.0° |
| C20 | C21 | H221 | H321 | 120.0° | 120.0° |
| C21 | C20 | C22 | C23 | 61.6° | 61.8° |
| C21 | C20 | C22 | H22 | 178.4° | 178.3° |
| C21 | C20 | C22 | O22 | 60.2° | 58.3° |
| H121 | C21 | H221 | H321 | 120.0° | 120.0° |
| H121 | C21 | C20 | C22 | 61.7° | 172.9° |
| H221 | C21 | C20 | C22 | 58.3° | 52.8° |
| H321 | C21 | C20 | C22 | 178.3° | 67.2° |
| C23 | C22 | C20 | H22 | 116.8° | 119.9° |
| C23 | C22 | C20 | O22 | 121.8° | 120.1° |
| C23 | C22 | H22 | O22 | 118.6° | 120.0° |
| C23 | C22 | O22 | HO22 | 180.0° | 60.0° |
| C22 | C23 | C24 | H23 | 114.3° | 119.9° |
| C22 | C23 | C24 | O23 | 126.3° | 120.0° |
| C22 | C23 | H23 | O23 | 120.7° | 120.0° |
| C22 | C23 | O23 | HO23 | 180.0° | 60.0° |
| C22 | C23 | C24 | C25 | 179.0° | 178.6° |
| C22 | C23 | C24 | C28 | 55.2° | 61.4° |
| C22 | C23 | C24 | H24 | 62.3° | 58.6° |
| C20 | C22 | H22 | O22 | 118.7° | 120.0° |
| C20 | C22 | O22 | HO22 | 54.2° | 60.0° |
| C20 | C22 | C23 | C24 | 58.7° | 57.2° |
| C20 | C22 | C23 | H23 | 59.0° | 62.8° |
| C20 | C22 | C23 | O23 | 177.8° | 177.2° |
| H22 | C22 | O22 | HO22 | 62.8° | 180.0° |
| H22 | C22 | C23 | C24 | 57.9° | 62.8° |
| H22 | C22 | C23 | H23 | 175.6° | 177.3° |
| H22 | C22 | C23 | O23 | 65.6° | 57.2° |
| O22 | C22 | C23 | C24 | 179.4° | 177.2° |
| O22 | C22 | C23 | H23 | 62.9° | 57.3° |
| O22 | C22 | C23 | O23 | 55.9° | 62.8° |
| C24 | C23 | H23 | O23 | 117.7° | 120.0° |
| C24 | C23 | O23 | HO23 | 52.9° | 60.0° |
| C23 | C24 | C25 | C28 | 126.5° | 120.0° |
| C23 | C24 | C25 | H24 | 115.5° | 120.0° |
| C23 | C24 | C28 | H24 | 115.3° | 120.0° |
| C23 | C24 | C25 | C27 | 179.0° | 180.0° |
| C23 | C24 | C25 | H25 | 65.8° | 60.0° |
| C23 | C24 | C25 | C26 | 50.4° | 60.0° |
| C23 | C24 | C28 | H128 | 180.0° | 65.3° |
| C23 | C24 | C28 | H228 | 60.0° | 174.7° |
| C23 | C24 | C28 | H328 | 60.0° | 54.7° |
| H23 | C23 | O23 | HO23 | 65.5° | 180.0° |
| H23 | C23 | C24 | C25 | 66.6° | 58.6° |
| H23 | C23 | C24 | C28 | 169.5° | 178.7° |
| H23 | C23 | C24 | H24 | 52.0° | 61.3° |
| O23 | C23 | C24 | C25 | 52.8° | 61.4° |
| O23 | C23 | C24 | C28 | 71.1° | 58.6° |
| O23 | C23 | C24 | H24 | 171.4° | 178.6° |
| C25 | C24 | C28 | H24 | 119.0° | 120.0° |
| C24 | C25 | C27 | H25 | 115.6° | 120.0° |
| C24 | C25 | C27 | C26 | 129.0° | 120.0° |
| C24 | C25 | H25 | C26 | 118.8° | 120.0° |
| C24 | C25 | C26 | H126 | 180.0° | 60.0° |
| C24 | C25 | C26 | H226 | 60.0° | 180.0° |
| C24 | C25 | C26 | H326 | 60.0° | 60.0° |
| C24 | C25 | C27 | H127 | 180.0° | 60.0° |
| C24 | C25 | C27 | H227 | 60.0° | 180.0° |
| C24 | C25 | C27 | H327 | 60.0° | 60.0° |
| C25 | C24 | C28 | H128 | 54.3° | 54.7° |
| C25 | C24 | C28 | H228 | 174.3° | 65.3° |
| C25 | C24 | C28 | H328 | 65.7° | 174.7° |
| C28 | C24 | C25 | C27 | 52.5° | 60.0° |
| C28 | C24 | C25 | H25 | 60.8° | 60.0° |
| C28 | C24 | C25 | C26 | 176.9° | 180.0° |
| C24 | C28 | H128 | H228 | 120.0° | 120.0° |
| C24 | C28 | H128 | H328 | 120.0° | 119.9° |
| C24 | C28 | H228 | H328 | 120.0° | 120.0° |
| H24 | C24 | C25 | C27 | 65.5° | 60.0° |
| H24 | C24 | C25 | H25 | 178.8° | 179.9° |
| H24 | C24 | C25 | C26 | 65.1° | 60.0° |
| H24 | C24 | C28 | H128 | 64.6° | 174.7° |
| H24 | C24 | C28 | H228 | 55.3° | 54.7° |
| H24 | C24 | C28 | H328 | 175.3° | 65.4° |
| C27 | C25 | H25 | C26 | 120.6° | 120.0° |
| C27 | C25 | C26 | H126 | 49.4° | 60.1° |
| C27 | C25 | C26 | H226 | 169.4° | 60.0° |
| C27 | C25 | C26 | H326 | 70.6° | 179.9° |
| C25 | C27 | H127 | H227 | 120.0° | 120.0° |
| C25 | C27 | H127 | H327 | 120.0° | 120.0° |
| C25 | C27 | H227 | H327 | 119.9° | 120.0° |
| H25 | C25 | C26 | H126 | 63.8° | 180.0° |
| H25 | C25 | C26 | H226 | 56.2° | 60.0° |
| H25 | C25 | C26 | H326 | 176.2° | 60.0° |
| H25 | C25 | C27 | H127 | 64.4° | 60.0° |
| H25 | C25 | C27 | H227 | 175.6° | 60.0° |
| H25 | C25 | C27 | H327 | 55.6° | 180.0° |
| C25 | C26 | H126 | H226 | 120.0° | 120.0° |
| C25 | C26 | H126 | H326 | 120.0° | 120.0° |
| C25 | C26 | H226 | H326 | 120.0° | 120.0° |
| C26 | C25 | C27 | H127 | 51.0° | 180.0° |
| C26 | C25 | C27 | H227 | 69.0° | 60.0° |
| C26 | C25 | C27 | H327 | 171.1° | 60.0° |
| H126 | C26 | H226 | H326 | 120.0° | 119.9° |
| H127 | C27 | H227 | H327 | 120.1° | 120.0° |
| H128 | C28 | H228 | H328 | 120.1° | 120.0° |
