1PE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH2 | C12 | sing | 1.43Å | 1.42Å | |
| OH2 | HO2 | sing | 0.97Å | 0.95Å | |
| C12 | C22 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C22 | OH3 | sing | 1.43Å | 1.45Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| OH3 | C23 | sing | 1.43Å | 1.44Å | |
| C13 | C23 | sing | 1.53Å | 1.53Å | |
| C13 | OH4 | sing | 1.43Å | 1.41Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| OH4 | C24 | sing | 1.43Å | 1.42Å | |
| C14 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | OH5 | sing | 1.43Å | 1.43Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| OH5 | C25 | sing | 1.43Å | 1.43Å | |
| C15 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | OH6 | sing | 1.43Å | 1.42Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| OH6 | C26 | sing | 1.43Å | 1.41Å | |
| C16 | C26 | sing | 1.53Å | 1.53Å | |
| C16 | OH7 | sing | 1.43Å | 1.43Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| OH7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | OH2 | HO2 | 111.4° | 106.9° |
| OH2 | C12 | C22 | 111.4° | 109.5° |
| OH2 | C12 | H121 | 111.5° | 109.5° |
| OH2 | C12 | H122 | 111.5° | 109.5° |
| C22 | C12 | H121 | 111.5° | 109.4° |
| C22 | C12 | H122 | 111.5° | 109.5° |
| C12 | C22 | OH3 | 110.4° | 109.5° |
| C12 | C22 | H221 | 111.9° | 109.5° |
| C12 | C22 | H222 | 111.8° | 109.4° |
| H121 | C12 | H122 | 98.9° | 109.4° |
| OH3 | C22 | H221 | 111.9° | 109.5° |
| OH3 | C22 | H222 | 111.9° | 109.5° |
| C22 | OH3 | C23 | 107.5° | 106.8° |
| H221 | C22 | H222 | 98.6° | 109.4° |
| OH3 | C23 | C13 | 112.9° | 109.5° |
| OH3 | C23 | H231 | 110.9° | 109.4° |
| OH3 | C23 | H232 | 111.0° | 109.5° |
| C23 | C13 | OH4 | 112.3° | 109.5° |
| C23 | C13 | H131 | 111.2° | 109.5° |
| C23 | C13 | H132 | 111.1° | 109.4° |
| C13 | C23 | H231 | 110.9° | 109.4° |
| C13 | C23 | H232 | 111.0° | 109.5° |
| OH4 | C13 | H131 | 111.2° | 109.5° |
| OH4 | C13 | H132 | 111.2° | 109.5° |
| C13 | OH4 | C24 | 110.4° | 106.8° |
| H131 | C13 | H132 | 99.1° | 109.5° |
| H231 | C23 | H232 | 99.4° | 109.5° |
| OH4 | C24 | C14 | 104.6° | 109.5° |
| OH4 | C24 | H241 | 114.0° | 109.5° |
| OH4 | C24 | H242 | 114.0° | 109.5° |
| C24 | C14 | OH5 | 107.4° | 109.4° |
| C24 | C14 | H141 | 112.9° | 109.5° |
| C24 | C14 | H142 | 113.0° | 109.5° |
| C14 | C24 | H241 | 114.1° | 109.5° |
| C14 | C24 | H242 | 114.1° | 109.4° |
| OH5 | C14 | H141 | 113.0° | 109.5° |
| OH5 | C14 | H142 | 113.0° | 109.5° |
| C14 | OH5 | C25 | 113.2° | 106.8° |
| H141 | C14 | H142 | 97.5° | 109.4° |
| H241 | C24 | H242 | 96.4° | 109.5° |
| OH5 | C25 | C15 | 105.5° | 109.5° |
| OH5 | C25 | H251 | 113.7° | 109.4° |
| OH5 | C25 | H252 | 113.7° | 109.5° |
| C25 | C15 | OH6 | 107.2° | 109.5° |
| C25 | C15 | H151 | 113.1° | 109.4° |
| C25 | C15 | H152 | 113.1° | 109.4° |
| C15 | C25 | H251 | 113.7° | 109.4° |
| C15 | C25 | H252 | 113.7° | 109.5° |
| OH6 | C15 | H151 | 113.1° | 109.5° |
| OH6 | C15 | H152 | 113.1° | 109.5° |
| C15 | OH6 | C26 | 113.4° | 106.8° |
| H151 | C15 | H152 | 97.4° | 109.5° |
| H251 | C25 | H252 | 96.9° | 109.5° |
| OH6 | C26 | C16 | 108.6° | 109.5° |
| OH6 | C26 | H261 | 112.5° | 109.4° |
| OH6 | C26 | H262 | 112.5° | 109.5° |
| C26 | C16 | OH7 | 112.5° | 109.5° |
| C26 | C16 | H161 | 111.1° | 109.4° |
| C26 | C16 | H162 | 111.0° | 109.4° |
| C16 | C26 | H261 | 112.5° | 109.5° |
| C16 | C26 | H262 | 112.5° | 109.5° |
| OH7 | C16 | H161 | 111.1° | 109.5° |
| OH7 | C16 | H162 | 111.1° | 109.5° |
| C16 | OH7 | HO7 | 112.5° | 106.8° |
| H161 | C16 | H162 | 99.2° | 109.5° |
| H261 | C26 | H262 | 97.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH2 | C12 | C22 | H121 | 125.3° | 120.0° |
| OH2 | C12 | C22 | H122 | 125.3° | 120.1° |
| OH2 | C12 | H121 | H122 | 117.3° | 120.0° |
| OH2 | C12 | C22 | OH3 | 165.7° | 60.0° |
| OH2 | C12 | C22 | H221 | 40.4° | 180.0° |
| OH2 | C12 | C22 | H222 | 69.0° | 60.0° |
| HO2 | OH2 | C12 | C22 | 180.0° | 179.9° |
| HO2 | OH2 | C12 | H121 | 54.7° | 59.9° |
| HO2 | OH2 | C12 | H122 | 54.7° | 60.0° |
| C22 | C12 | H121 | H122 | 117.4° | 120.0° |
| C12 | C22 | OH3 | H221 | 125.2° | 120.0° |
| C12 | C22 | OH3 | H222 | 125.2° | 120.0° |
| C12 | C22 | H221 | H222 | 117.7° | 119.9° |
| C12 | C22 | OH3 | C23 | 64.7° | 179.9° |
| H121 | C12 | C22 | OH3 | 69.1° | 60.0° |
| H121 | C12 | C22 | H221 | 165.7° | 60.0° |
| H121 | C12 | C22 | H222 | 56.2° | 179.9° |
| H122 | C12 | C22 | OH3 | 40.4° | 180.0° |
| H122 | C12 | C22 | H221 | 84.8° | 59.9° |
| H122 | C12 | C22 | H222 | 165.7° | 60.0° |
| OH3 | C22 | H221 | H222 | 117.9° | 120.0° |
| C22 | OH3 | C23 | C13 | 162.7° | 180.0° |
| C22 | OH3 | C23 | H231 | 37.5° | 60.1° |
| C22 | OH3 | C23 | H232 | 72.0° | 60.0° |
| H221 | C22 | OH3 | C23 | 60.5° | 60.0° |
| H222 | C22 | OH3 | C23 | 170.0° | 59.9° |
| OH3 | C23 | C13 | H231 | 125.2° | 119.9° |
| OH3 | C23 | C13 | H232 | 125.3° | 120.1° |
| OH3 | C23 | C13 | OH4 | 72.5° | 59.9° |
| OH3 | C23 | C13 | H131 | 52.8° | 180.0° |
| OH3 | C23 | C13 | H132 | 162.2° | 60.0° |
| OH3 | C23 | H231 | H232 | 116.8° | 120.0° |
| C23 | C13 | OH4 | H131 | 125.3° | 120.0° |
| C23 | C13 | OH4 | H132 | 125.3° | 119.9° |
| C23 | C13 | H131 | H132 | 117.0° | 119.9° |
| C13 | C23 | H231 | H232 | 116.9° | 120.0° |
| C23 | C13 | OH4 | C24 | 80.1° | 180.0° |
| OH4 | C13 | H131 | H132 | 117.1° | 120.0° |
| OH4 | C13 | C23 | H231 | 162.3° | 60.0° |
| OH4 | C13 | C23 | H232 | 52.8° | 180.0° |
| C13 | OH4 | C24 | C14 | 161.3° | 180.0° |
| C13 | OH4 | C24 | H241 | 36.0° | 59.9° |
| C13 | OH4 | C24 | H242 | 73.4° | 60.1° |
| H131 | C13 | C23 | H231 | 72.4° | 60.0° |
| H131 | C13 | C23 | H232 | 178.1° | 59.9° |
| H131 | C13 | OH4 | C24 | 154.6° | 60.0° |
| H132 | C13 | C23 | H231 | 37.0° | 179.9° |
| H132 | C13 | C23 | H232 | 72.5° | 60.1° |
| H132 | C13 | OH4 | C24 | 45.1° | 60.1° |
| OH4 | C24 | C14 | H241 | 125.2° | 120.0° |
| OH4 | C24 | C14 | H242 | 125.2° | 120.0° |
| OH4 | C24 | C14 | OH5 | 40.6° | 60.0° |
| OH4 | C24 | C14 | H141 | 84.6° | 180.0° |
| OH4 | C24 | C14 | H142 | 165.9° | 60.0° |
| OH4 | C24 | H241 | H242 | 119.9° | 120.0° |
| C24 | C14 | OH5 | H141 | 125.2° | 120.0° |
| C24 | C14 | OH5 | H142 | 125.3° | 120.0° |
| C24 | C14 | H141 | H142 | 118.9° | 120.0° |
| C14 | C24 | H241 | H242 | 120.0° | 120.0° |
| C24 | C14 | OH5 | C25 | 173.8° | 180.0° |
| OH5 | C14 | H141 | H142 | 118.9° | 120.0° |
| OH5 | C14 | C24 | H241 | 165.9° | 60.0° |
| OH5 | C14 | C24 | H242 | 84.6° | 180.0° |
| C14 | OH5 | C25 | C15 | 154.8° | 180.0° |
| C14 | OH5 | C25 | H251 | 29.6° | 60.1° |
| C14 | OH5 | C25 | H252 | 79.9° | 60.0° |
| H141 | C14 | C24 | H241 | 40.6° | 60.0° |
| H141 | C14 | C24 | H242 | 150.1° | 60.0° |
| H141 | C14 | OH5 | C25 | 61.0° | 60.0° |
| H142 | C14 | C24 | H241 | 68.8° | 180.0° |
| H142 | C14 | C24 | H242 | 40.7° | 60.0° |
| H142 | C14 | OH5 | C25 | 48.5° | 59.9° |
| OH5 | C25 | C15 | H251 | 125.2° | 119.9° |
| OH5 | C25 | C15 | H252 | 125.2° | 120.0° |
| OH5 | C25 | C15 | OH6 | 46.8° | 59.9° |
| OH5 | C25 | C15 | H151 | 78.4° | 180.0° |
| OH5 | C25 | C15 | H152 | 172.1° | 60.0° |
| OH5 | C25 | H251 | H252 | 119.6° | 120.0° |
| C25 | C15 | OH6 | H151 | 125.2° | 120.0° |
| C25 | C15 | OH6 | H152 | 125.3° | 119.9° |
| C25 | C15 | H151 | H152 | 119.0° | 119.9° |
| C15 | C25 | H251 | H252 | 119.6° | 120.1° |
| C25 | C15 | OH6 | C26 | 168.9° | 180.0° |
| OH6 | C15 | H151 | H152 | 119.0° | 120.1° |
| OH6 | C15 | C25 | H251 | 172.0° | 60.0° |
| OH6 | C15 | C25 | H252 | 78.4° | 180.0° |
| C15 | OH6 | C26 | C16 | 69.6° | 180.0° |
| C15 | OH6 | C26 | H261 | 165.1° | 60.0° |
| C15 | OH6 | C26 | H262 | 55.6° | 60.0° |
| H151 | C15 | C25 | H251 | 46.8° | 60.1° |
| H151 | C15 | C25 | H252 | 156.4° | 60.0° |
| H151 | C15 | OH6 | C26 | 43.7° | 60.0° |
| H152 | C15 | C25 | H251 | 62.7° | 179.9° |
| H152 | C15 | C25 | H252 | 46.9° | 60.0° |
| H152 | C15 | OH6 | C26 | 65.8° | 60.1° |
| OH6 | C26 | C16 | H261 | 125.3° | 120.0° |
| OH6 | C26 | C16 | H262 | 125.3° | 120.0° |
| OH6 | C26 | C16 | OH7 | 93.8° | 60.0° |
| OH6 | C26 | C16 | H161 | 31.5° | 180.0° |
| OH6 | C26 | C16 | H162 | 140.9° | 60.0° |
| OH6 | C26 | H261 | H262 | 118.4° | 120.0° |
| C26 | C16 | OH7 | H161 | 125.3° | 120.0° |
| C26 | C16 | OH7 | H162 | 125.2° | 120.0° |
| C26 | C16 | H161 | H162 | 116.9° | 120.0° |
| C16 | C26 | H261 | H262 | 118.4° | 120.0° |
| C26 | C16 | OH7 | HO7 | 180.0° | 180.0° |
| OH7 | C16 | H161 | H162 | 117.0° | 120.0° |
| OH7 | C16 | C26 | H261 | 140.9° | 60.0° |
| OH7 | C16 | C26 | H262 | 31.4° | 180.0° |
| H161 | C16 | C26 | H261 | 93.8° | 60.0° |
| H161 | C16 | C26 | H262 | 156.7° | 60.0° |
| H161 | C16 | OH7 | HO7 | 54.8° | 60.0° |
| H162 | C16 | C26 | H261 | 15.6° | 180.0° |
| H162 | C16 | C26 | H262 | 93.9° | 60.0° |
| H162 | C16 | OH7 | HO7 | 54.7° | 60.0° |
