UOC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CCG | CCF | sing | 1.53Å | 1.52Å | |
| CCF | CCE | sing | 1.53Å | 1.52Å | |
| CCE | CCD | sing | 1.53Å | 1.54Å | |
| CCD | CCC | sing | 1.53Å | 1.56Å | |
| CCC | CCB | sing | 1.53Å | 1.56Å | |
| CCB | CCA | sing | 1.53Å | 1.49Å | |
| CCA | CBZ | sing | 1.53Å | 1.52Å | |
| CBZ | CBY | sing | 1.53Å | 1.52Å | |
| CBY | CBX | sing | 1.51Å | 1.55Å | |
| CBX | OCH | doub | 1.21Å | 1.22Å | |
| CBX | CBW | sing | 1.51Å | 1.52Å | |
| CCG | HCG | sing | 1.09Å | 1.10Å | |
| CCG | HCGA | sing | 1.09Å | 1.10Å | |
| CCG | HCGB | sing | 1.09Å | 1.10Å | |
| CCF | HCF | sing | 1.09Å | 1.10Å | |
| CCF | HCFA | sing | 1.09Å | 1.10Å | |
| CCE | HCE | sing | 1.09Å | 1.10Å | |
| CCE | HCEA | sing | 1.09Å | 1.10Å | |
| CCD | HCD | sing | 1.09Å | 1.10Å | |
| CCD | HCDA | sing | 1.09Å | 1.10Å | |
| CCC | HCC | sing | 1.09Å | 1.10Å | |
| CCC | HCCA | sing | 1.09Å | 1.10Å | |
| CCB | HCB | sing | 1.09Å | 1.10Å | |
| CCB | HCBA | sing | 1.09Å | 1.10Å | |
| CCA | HCA | sing | 1.09Å | 1.10Å | |
| CCA | HCAA | sing | 1.09Å | 1.10Å | |
| CBZ | HBZ | sing | 1.09Å | 1.10Å | |
| CBZ | HBZA | sing | 1.09Å | 1.10Å | |
| CBY | HBY | sing | 1.09Å | 1.10Å | |
| CBY | HBYA | sing | 1.09Å | 1.10Å | |
| CBW | HBW | sing | 1.09Å | 1.10Å | |
| CBW | HBWA | sing | 1.09Å | 1.10Å | |
| CBW | HBWB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CCG | CCF | CCE | 110.7° | 109.5° |
| CCF | CCG | HCG | 109.5° | 109.5° |
| CCF | CCG | HCGA | 109.4° | 109.4° |
| CCF | CCG | HCGB | 109.5° | 109.5° |
| CCG | CCF | HCF | 109.1° | 109.5° |
| CCG | CCF | HCFA | 108.8° | 109.5° |
| CCF | CCE | CCD | 114.7° | 109.5° |
| CCE | CCF | HCF | 109.1° | 109.4° |
| CCE | CCF | HCFA | 108.8° | 109.5° |
| CCF | CCE | HCE | 107.8° | 109.5° |
| CCF | CCE | HCEA | 106.5° | 109.5° |
| CCE | CCD | CCC | 113.4° | 109.5° |
| CCD | CCE | HCE | 107.8° | 109.5° |
| CCD | CCE | HCEA | 106.5° | 109.5° |
| CCE | CCD | HCD | 108.2° | 109.5° |
| CCE | CCD | HCDA | 107.3° | 109.5° |
| CCD | CCC | CCB | 112.7° | 109.4° |
| CCC | CCD | HCD | 108.2° | 109.5° |
| CCC | CCD | HCDA | 107.3° | 109.4° |
| CCD | CCC | HCC | 108.4° | 109.5° |
| CCD | CCC | HCCA | 107.6° | 109.4° |
| CCC | CCB | CCA | 111.4° | 109.5° |
| CCB | CCC | HCC | 108.4° | 109.5° |
| CCB | CCC | HCCA | 107.7° | 109.5° |
| CCC | CCB | HCB | 108.9° | 109.5° |
| CCC | CCB | HCBA | 108.4° | 109.5° |
| CCB | CCA | CBZ | 108.4° | 109.5° |
| CCA | CCB | HCB | 108.8° | 109.5° |
| CCA | CCB | HCBA | 108.4° | 109.5° |
| CCB | CCA | HCA | 109.8° | 109.4° |
| CCB | CCA | HCAA | 110.0° | 109.5° |
| CCA | CBZ | CBY | 115.7° | 109.5° |
| CBZ | CCA | HCA | 109.8° | 109.5° |
| CBZ | CCA | HCAA | 110.1° | 109.5° |
| CCA | CBZ | HBZ | 107.4° | 109.5° |
| CCA | CBZ | HBZA | 106.0° | 109.5° |
| CBZ | CBY | CBX | 107.8° | 109.4° |
| CBY | CBZ | HBZ | 107.5° | 109.5° |
| CBY | CBZ | HBZA | 106.0° | 109.5° |
| CBZ | CBY | HBY | 110.0° | 109.5° |
| CBZ | CBY | HBYA | 110.4° | 109.5° |
| CBY | CBX | OCH | 118.0° | 120.0° |
| CBY | CBX | CBW | 122.5° | 120.0° |
| CBX | CBY | HBY | 110.0° | 109.5° |
| CBX | CBY | HBYA | 110.4° | 109.5° |
| OCH | CBX | CBW | 119.4° | 119.9° |
| CBX | CBW | HBW | 109.5° | 109.4° |
| CBX | CBW | HBWA | 109.4° | 109.5° |
| CBX | CBW | HBWB | 109.5° | 109.5° |
| HCG | CCG | HCGA | 109.5° | 109.5° |
| HCG | CCG | HCGB | 109.5° | 109.5° |
| HCGA | CCG | HCGB | 109.5° | 109.5° |
| HCF | CCF | HCFA | 110.4° | 109.5° |
| HCE | CCE | HCEA | 113.7° | 109.4° |
| HCD | CCD | HCDA | 112.6° | 109.5° |
| HCC | CCC | HCCA | 112.1° | 109.5° |
| HCB | CCB | HCBA | 110.9° | 109.4° |
| HCA | CCA | HCAA | 108.6° | 109.5° |
| HBZ | CBZ | HBZA | 114.5° | 109.5° |
| HBY | CBY | HBYA | 108.2° | 109.5° |
| HBW | CBW | HBWA | 109.5° | 109.5° |
| HBW | CBW | HBWB | 109.4° | 109.5° |
| HBWA | CBW | HBWB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CCG | CCF | CCE | HCF | 120.0° | 120.0° |
| CCG | CCF | CCE | HCFA | 119.5° | 120.1° |
| CCG | CCF | CCE | CCD | 146.3° | 180.0° |
| CCF | CCG | HCG | HCGA | 120.0° | 119.9° |
| CCF | CCG | HCG | HCGB | 120.0° | 120.0° |
| CCF | CCG | HCGA | HCGB | 120.0° | 120.0° |
| CCG | CCF | HCF | HCFA | 119.5° | 120.0° |
| CCG | CCF | CCE | HCE | 26.3° | 60.0° |
| CCG | CCF | CCE | HCEA | 96.1° | 60.0° |
| CCF | CCE | CCD | HCE | 120.0° | 120.0° |
| CCF | CCE | CCD | HCEA | 117.6° | 120.0° |
| CCF | CCE | CCD | CCC | 110.8° | 180.0° |
| CCE | CCF | CCG | HCG | 50.0° | 59.9° |
| CCE | CCF | CCG | HCGA | 70.0° | 60.0° |
| CCE | CCF | CCG | HCGB | 170.0° | 180.0° |
| CCE | CCF | HCF | HCFA | 119.5° | 120.0° |
| CCF | CCE | HCE | HCEA | 117.8° | 120.0° |
| CCF | CCE | CCD | HCD | 129.2° | 60.0° |
| CCF | CCE | CCD | HCDA | 7.5° | 60.0° |
| CCE | CCD | CCC | HCD | 120.0° | 120.0° |
| CCE | CCD | CCC | HCDA | 118.3° | 120.0° |
| CCE | CCD | CCC | CCB | 146.7° | 180.0° |
| CCD | CCE | CCF | HCF | 93.7° | 60.0° |
| CCD | CCE | CCF | HCFA | 26.8° | 60.0° |
| CCD | CCE | HCE | HCEA | 117.8° | 120.0° |
| CCE | CCD | HCD | HCDA | 118.4° | 120.0° |
| CCE | CCD | CCC | HCC | 93.4° | 60.0° |
| CCE | CCD | CCC | HCCA | 28.1° | 60.0° |
| CCD | CCC | CCB | HCC | 120.0° | 120.0° |
| CCD | CCC | CCB | HCCA | 118.6° | 119.9° |
| CCD | CCC | CCB | CCA | 132.8° | 180.0° |
| CCC | CCD | CCE | HCE | 9.2° | 59.9° |
| CCC | CCD | CCE | HCEA | 131.6° | 60.0° |
| CCC | CCD | HCD | HCDA | 118.4° | 120.0° |
| CCD | CCC | HCC | HCCA | 118.6° | 120.0° |
| CCD | CCC | CCB | HCB | 107.2° | 59.9° |
| CCD | CCC | CCB | HCBA | 13.6° | 60.1° |
| CCC | CCB | CCA | HCB | 120.0° | 120.1° |
| CCC | CCB | CCA | HCBA | 119.2° | 120.0° |
| CCC | CCB | CCA | CBZ | 68.8° | 180.0° |
| CCB | CCC | CCD | HCD | 26.6° | 60.0° |
| CCB | CCC | CCD | HCDA | 95.1° | 60.0° |
| CCB | CCC | HCC | HCCA | 118.7° | 120.0° |
| CCC | CCB | HCB | HCBA | 119.2° | 120.0° |
| CCC | CCB | CCA | HCA | 171.2° | 60.0° |
| CCC | CCB | CCA | HCAA | 51.6° | 60.0° |
| CCB | CCA | CBZ | HCA | 120.0° | 120.0° |
| CCB | CCA | CBZ | HCAA | 120.4° | 120.0° |
| CCB | CCA | CBZ | CBY | 95.6° | 180.0° |
| CCA | CCB | CCC | HCC | 12.8° | 60.0° |
| CCA | CCB | CCC | HCCA | 108.6° | 60.0° |
| CCA | CCB | HCB | HCBA | 119.2° | 120.0° |
| CCB | CCA | HCA | HCAA | 120.4° | 120.0° |
| CCB | CCA | CBZ | HBZ | 24.4° | 60.0° |
| CCB | CCA | CBZ | HBZA | 147.2° | 60.0° |
| CCA | CBZ | CBY | HBZ | 120.0° | 120.0° |
| CCA | CBZ | CBY | HBZA | 117.2° | 120.1° |
| CCA | CBZ | CBY | CBX | 176.6° | 180.0° |
| CBZ | CCA | CCB | HCB | 51.2° | 60.0° |
| CBZ | CCA | CCB | HCBA | 171.9° | 60.0° |
| CBZ | CCA | HCA | HCAA | 120.5° | 120.0° |
| CCA | CBZ | HBZ | HBZA | 117.5° | 120.0° |
| CCA | CBZ | CBY | HBY | 56.6° | 60.0° |
| CCA | CBZ | CBY | HBYA | 62.7° | 60.0° |
| CBZ | CBY | CBX | HBY | 120.0° | 120.0° |
| CBZ | CBY | CBX | HBYA | 120.7° | 119.9° |
| CBZ | CBY | CBX | OCH | 48.0° | 0.0° |
| CBZ | CBY | CBX | CBW | 136.3° | 180.0° |
| CBY | CBZ | CCA | HCA | 144.4° | 60.0° |
| CBY | CBZ | CCA | HCAA | 24.8° | 60.0° |
| CBY | CBZ | HBZ | HBZA | 117.5° | 120.0° |
| CBZ | CBY | HBY | HBYA | 120.7° | 120.0° |
| CBY | CBX | OCH | CBW | 175.8° | 180.0° |
| CBX | CBY | CBZ | HBZ | 63.4° | 60.0° |
| CBX | CBY | CBZ | HBZA | 59.4° | 60.0° |
| CBX | CBY | HBY | HBYA | 120.7° | 120.0° |
| CBY | CBX | CBW | HBW | 150.0° | 0.0° |
| CBY | CBX | CBW | HBWA | 90.0° | 120.0° |
| CBY | CBX | CBW | HBWB | 30.0° | 120.0° |
| OCH | CBX | CBY | HBY | 168.0° | 120.0° |
| OCH | CBX | CBY | HBYA | 72.7° | 120.0° |
| OCH | CBX | CBW | HBW | 25.6° | 180.0° |
| OCH | CBX | CBW | HBWA | 94.4° | 60.0° |
| OCH | CBX | CBW | HBWB | 145.6° | 60.0° |
| CBW | CBX | CBY | HBY | 16.3° | 60.0° |
| CBW | CBX | CBY | HBYA | 103.0° | 60.1° |
| CBX | CBW | HBW | HBWA | 120.0° | 120.0° |
| CBX | CBW | HBW | HBWB | 120.0° | 120.0° |
| CBX | CBW | HBWA | HBWB | 120.0° | 120.0° |
| HCG | CCG | HCGA | HCGB | 120.0° | 120.1° |
| HCG | CCG | CCF | HCF | 70.0° | 60.0° |
| HCG | CCG | CCF | HCFA | 169.5° | 180.0° |
| HCGA | CCG | CCF | HCF | 170.0° | 180.0° |
| HCGA | CCG | CCF | HCFA | 49.5° | 60.0° |
| HCGB | CCG | CCF | HCF | 50.0° | 60.0° |
| HCGB | CCG | CCF | HCFA | 70.5° | 60.0° |
| HCF | CCF | CCE | HCE | 146.3° | 180.0° |
| HCF | CCF | CCE | HCEA | 23.9° | 60.0° |
| HCFA | CCF | CCE | HCE | 93.2° | 60.1° |
| HCFA | CCF | CCE | HCEA | 144.4° | 180.0° |
| HCE | CCE | CCD | HCD | 110.8° | 180.0° |
| HCE | CCE | CCD | HCDA | 127.5° | 60.0° |
| HCEA | CCE | CCD | HCD | 11.5° | 60.0° |
| HCEA | CCE | CCD | HCDA | 110.1° | 180.0° |
| HCD | CCD | CCC | HCC | 146.6° | 180.0° |
| HCD | CCD | CCC | HCCA | 92.0° | 60.0° |
| HCDA | CCD | CCC | HCC | 24.9° | 60.0° |
| HCDA | CCD | CCC | HCCA | 146.3° | 180.0° |
| HCC | CCC | CCB | HCB | 132.8° | 180.0° |
| HCC | CCC | CCB | HCBA | 106.4° | 60.0° |
| HCCA | CCC | CCB | HCB | 11.4° | 60.0° |
| HCCA | CCC | CCB | HCBA | 132.2° | 180.0° |
| HCB | CCB | CCA | HCA | 68.8° | 180.0° |
| HCB | CCB | CCA | HCAA | 171.6° | 60.0° |
| HCBA | CCB | CCA | HCA | 51.9° | 60.0° |
| HCBA | CCB | CCA | HCAA | 67.6° | 180.0° |
| HCA | CCA | CBZ | HBZ | 95.6° | NaN° |
| HCA | CCA | CBZ | HBZA | 27.2° | 60.0° |
| HCAA | CCA | CBZ | HBZ | 144.8° | 60.0° |
| HCAA | CCA | CBZ | HBZA | 92.3° | 180.0° |
| HBZ | CBZ | CBY | HBY | 176.6° | 180.0° |
| HBZ | CBZ | CBY | HBYA | 57.3° | 60.0° |
| HBZA | CBZ | CBY | HBY | 60.6° | 60.0° |
| HBZA | CBZ | CBY | HBYA | 179.9° | 179.9° |
| HBW | CBW | HBWA | HBWB | 120.0° | 120.0° |
