HYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAH | sing | 1.53Å | 1.53Å | |
| CAI | CAJ | sing | 1.52Å | 1.53Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAH | NAG | sing | 1.45Å | 1.47Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| NAG | CAF | sing | 1.36Å | 1.33Å | |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| CAF | OAK | doub | 1.22Å | 1.23Å | |
| CAF | CAD | sing | 1.47Å | 1.53Å | |
| CAD | NAC | sing | 1.36Å | 1.33Å | Aromatic |
| CAD | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| NAC | CAA | sing | 1.36Å | 1.33Å | Aromatic |
| NAC | HAC | sing | 0.97Å | 1.00Å | |
| CAA | CLA | sing | 1.74Å | 1.78Å | |
| CAA | CAB | doub | 1.36Å | 1.39Å | Aromatic |
| CAB | CLB | sing | 1.74Å | 1.78Å | |
| CAB | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAJ | sing | 1.47Å | 1.39Å | |
| CAJ | CAL | doub | 1.36Å | 1.40Å | |
| CAL | NAP | sing | 1.40Å | 1.33Å | |
| CAL | CAM | sing | 1.48Å | 1.39Å | |
| NAP | CAO | sing | 1.36Å | 1.33Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAM | OAR | doub | 1.22Å | 1.23Å | |
| CAM | NAN | sing | 1.34Å | 1.33Å | |
| NAN | CAO | doub | 1.32Å | 1.33Å | |
| CAO | NAQ | sing | 1.37Å | 1.33Å | |
| NAQ | HAQ1 | sing | 0.97Å | 1.00Å | |
| NAQ | HAQ2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAI | CAJ | 109.4° | 109.2° |
| CAH | CAI | HAI1 | 109.5° | 109.5° |
| CAH | CAI | HAI2 | 109.5° | 109.5° |
| CAI | CAH | NAG | 112.6° | 113.3° |
| CAI | CAH | HAH1 | 107.8° | 108.7° |
| CAI | CAH | HAH2 | 108.4° | 108.7° |
| CAJ | CAI | HAI1 | 109.5° | 109.5° |
| CAJ | CAI | HAI2 | 109.5° | 109.5° |
| CAI | CAJ | CAE | 119.7° | 116.9° |
| CAI | CAJ | CAL | 118.5° | 121.6° |
| HAI1 | CAI | HAI2 | 109.5° | 109.6° |
| NAG | CAH | HAH1 | 107.7° | 108.8° |
| NAG | CAH | HAH2 | 108.5° | 108.7° |
| CAH | NAG | CAF | 129.9° | 120.8° |
| CAH | NAG | HAG | 115.0° | 119.6° |
| HAH1 | CAH | HAH2 | 111.9° | 108.6° |
| CAF | NAG | HAG | 115.1° | 119.6° |
| NAG | CAF | OAK | 120.9° | 121.2° |
| NAG | CAF | CAD | 122.0° | 117.6° |
| OAK | CAF | CAD | 117.1° | 121.2° |
| CAF | CAD | NAC | 121.1° | 131.4° |
| CAF | CAD | CAE | 133.4° | 120.8° |
| NAC | CAD | CAE | 105.4° | 107.8° |
| CAD | NAC | CAA | 114.3° | 108.7° |
| CAD | NAC | HAC | 122.9° | 125.7° |
| CAD | CAE | CAB | 106.9° | 106.6° |
| CAD | CAE | CAJ | 124.9° | 122.8° |
| CAA | NAC | HAC | 122.8° | 125.6° |
| NAC | CAA | CLA | 127.1° | 125.3° |
| NAC | CAA | CAB | 104.7° | 109.4° |
| CLA | CAA | CAB | 128.2° | 125.3° |
| CAA | CAB | CLB | 122.5° | 126.3° |
| CAA | CAB | CAE | 108.7° | 107.4° |
| CLB | CAB | CAE | 128.3° | 126.3° |
| CAB | CAE | CAJ | 128.2° | 130.5° |
| CAE | CAJ | CAL | 121.7° | 121.6° |
| CAJ | CAL | NAP | 121.3° | 127.6° |
| CAJ | CAL | CAM | 130.6° | 127.6° |
| NAP | CAL | CAM | 108.0° | 104.8° |
| CAL | NAP | CAO | 107.1° | 107.3° |
| CAL | NAP | HAP | 126.4° | 126.4° |
| CAL | CAM | OAR | 127.9° | 126.9° |
| CAL | CAM | NAN | 106.5° | 106.2° |
| CAO | NAP | HAP | 126.5° | 126.4° |
| NAP | CAO | NAN | 110.3° | 111.2° |
| NAP | CAO | NAQ | 125.5° | 124.4° |
| OAR | CAM | NAN | 125.5° | 126.9° |
| CAM | NAN | CAO | 108.1° | 110.5° |
| NAN | CAO | NAQ | 124.3° | 124.4° |
| CAO | NAQ | HAQ1 | 125.4° | 119.9° |
| CAO | NAQ | HAQ2 | 109.2° | 120.0° |
| HAQ1 | NAQ | HAQ2 | 125.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAI | CAJ | HAI1 | 120.0° | 119.9° |
| CAH | CAI | CAJ | HAI2 | 120.0° | 119.9° |
| CAH | CAI | HAI1 | HAI2 | 120.0° | 120.2° |
| CAI | CAH | NAG | HAH1 | 118.7° | 121.0° |
| CAI | CAH | NAG | HAH2 | 120.0° | 121.0° |
| CAI | CAH | HAH1 | HAH2 | 119.1° | 118.1° |
| CAI | CAH | NAG | CAF | 44.8° | 84.5° |
| CAI | CAH | NAG | HAG | 135.2° | 95.5° |
| CAH | CAI | CAJ | CAE | 71.9° | 40.2° |
| CAH | CAI | CAJ | CAL | 105.6° | 139.8° |
| CAJ | CAI | HAI1 | HAI2 | 120.0° | 120.1° |
| CAJ | CAI | CAH | NAG | 81.8° | 44.2° |
| CAJ | CAI | CAH | HAH1 | 36.8° | 165.2° |
| CAJ | CAI | CAH | HAH2 | 158.2° | 76.8° |
| CAI | CAJ | CAE | CAD | 28.5° | 64.4° |
| CAI | CAJ | CAE | CAB | 152.6° | 112.0° |
| CAI | CAJ | CAE | CAL | 177.5° | 179.9° |
| CAI | CAJ | CAL | NAP | 171.3° | 179.9° |
| CAI | CAJ | CAL | CAM | 5.0° | 0.4° |
| HAI1 | CAI | CAH | NAG | 38.2° | 164.1° |
| HAI1 | CAI | CAH | HAH1 | 156.8° | 74.9° |
| HAI1 | CAI | CAH | HAH2 | 81.8° | 43.1° |
| HAI1 | CAI | CAJ | CAE | 48.1° | 79.7° |
| HAI1 | CAI | CAJ | CAL | 134.4° | 100.4° |
| HAI2 | CAI | CAH | NAG | 158.2° | 75.7° |
| HAI2 | CAI | CAH | HAH1 | 83.1° | 45.3° |
| HAI2 | CAI | CAH | HAH2 | 38.2° | 163.3° |
| HAI2 | CAI | CAJ | CAE | 168.1° | 160.1° |
| HAI2 | CAI | CAJ | CAL | 14.4° | 19.8° |
| NAG | CAH | HAH1 | HAH2 | 119.2° | 118.1° |
| CAH | NAG | CAF | HAG | 180.0° | 180.0° |
| CAH | NAG | CAF | OAK | 178.1° | 164.6° |
| CAH | NAG | CAF | CAD | 0.3° | 15.3° |
| HAH1 | CAH | NAG | CAF | 73.8° | 154.5° |
| HAH1 | CAH | NAG | HAG | 106.2° | 25.5° |
| HAH2 | CAH | NAG | CAF | 164.8° | 36.5° |
| HAH2 | CAH | NAG | HAG | 15.2° | 143.6° |
| NAG | CAF | OAK | CAD | 178.5° | 180.0° |
| NAG | CAF | CAD | NAC | 171.4° | 137.3° |
| NAG | CAF | CAD | CAE | 10.5° | 43.3° |
| HAG | NAG | CAF | OAK | 1.9° | 15.4° |
| HAG | NAG | CAF | CAD | 179.7° | 164.6° |
| OAK | CAF | CAD | NAC | 7.0° | 42.6° |
| OAK | CAF | CAD | CAE | 171.1° | 136.7° |
| CAF | CAD | NAC | CAE | 178.5° | 179.4° |
| CAF | CAD | NAC | CAA | 178.2° | 176.6° |
| CAF | CAD | NAC | HAC | 1.7° | 3.4° |
| CAF | CAD | CAE | CAB | 176.9° | 176.5° |
| CAF | CAD | CAE | CAJ | 4.1° | 6.4° |
| CAD | NAC | CAA | HAC | 180.0° | 180.0° |
| CAD | NAC | CAA | CLA | 175.5° | 178.5° |
| CAD | NAC | CAA | CAB | 0.9° | 1.5° |
| NAC | CAD | CAE | CAB | 1.4° | 3.0° |
| NAC | CAD | CAE | CAJ | 177.7° | 174.1° |
| CAE | CAD | NAC | CAA | 0.3° | 2.8° |
| CAE | CAD | NAC | HAC | 179.7° | 177.1° |
| CAD | CAE | CAB | CAA | 2.0° | 2.1° |
| CAD | CAE | CAB | CLB | 170.1° | 177.9° |
| CAD | CAE | CAB | CAJ | 179.0° | 176.8° |
| CAD | CAE | CAJ | CAL | 149.0° | 115.6° |
| NAC | CAA | CLA | CAB | 175.6° | 180.0° |
| NAC | CAA | CAB | CLB | 170.9° | 179.6° |
| NAC | CAA | CAB | CAE | 1.8° | 0.4° |
| HAC | NAC | CAA | CLA | 4.5° | 1.6° |
| HAC | NAC | CAA | CAB | 179.1° | 178.5° |
| CLA | CAA | CAB | CLB | 12.8° | 0.4° |
| CLA | CAA | CAB | CAE | 174.5° | 179.6° |
| CAA | CAB | CLB | CAE | 171.1° | 180.0° |
| CAA | CAB | CAE | CAJ | 177.0° | 174.7° |
| CLB | CAB | CAE | CAJ | 10.9° | 5.3° |
| CAB | CAE | CAJ | CAL | 29.9° | 68.0° |
| CAE | CAJ | CAL | NAP | 6.2° | 0.0° |
| CAE | CAJ | CAL | CAM | 177.5° | 179.7° |
| CAJ | CAL | NAP | CAM | 177.1° | 179.7° |
| CAJ | CAL | NAP | CAO | 177.4° | 179.9° |
| CAJ | CAL | NAP | HAP | 2.6° | 0.0° |
| CAJ | CAL | CAM | OAR | 0.8° | 0.1° |
| CAJ | CAL | CAM | NAN | 177.1° | 180.0° |
| CAL | NAP | CAO | HAP | 180.0° | 179.9° |
| NAP | CAL | CAM | OAR | 177.5° | 179.8° |
| NAP | CAL | CAM | NAN | 0.4° | 0.2° |
| CAL | NAP | CAO | NAN | 0.2° | 0.1° |
| CAL | NAP | CAO | NAQ | 180.0° | 180.0° |
| CAM | CAL | NAP | CAO | 0.3° | 0.2° |
| CAM | CAL | NAP | HAP | 179.6° | 179.7° |
| CAL | CAM | OAR | NAN | 177.5° | 179.9° |
| CAL | CAM | NAN | CAO | 0.3° | 0.2° |
| NAP | CAO | NAN | CAM | 0.1° | 0.1° |
| NAP | CAO | NAN | NAQ | 179.8° | 179.9° |
| NAP | CAO | NAQ | HAQ1 | 179.9° | 0.0° |
| NAP | CAO | NAQ | HAQ2 | 0.1° | 180.0° |
| HAP | NAP | CAO | NAN | 179.8° | 179.8° |
| HAP | NAP | CAO | NAQ | 0.0° | 0.1° |
| OAR | CAM | NAN | CAO | 177.7° | 179.9° |
| CAM | NAN | CAO | NAQ | 179.7° | 179.8° |
| NAN | CAO | NAQ | HAQ1 | 0.1° | 179.9° |
| NAN | CAO | NAQ | HAQ2 | 179.9° | 0.2° |
| CAO | NAQ | HAQ1 | HAQ2 | 180.0° | 180.0° |
