YM8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAZ | sing | 1.53Å | 1.53Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NBA | CAB | sing | 1.47Å | 1.47Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| NBA | CAC | sing | 1.47Å | 1.47Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAF | NAD | trip | 1.14Å | 1.14Å | |
| CL | CAS | sing | 1.74Å | 1.73Å | |
| CAT | CAF | sing | 1.43Å | 1.44Å | |
| CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.36Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAS | CAH | sing | 1.36Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAX | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAU | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | NAN | sing | 1.32Å | 1.32Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | NAO | doub | 1.31Å | 1.32Å | Aromatic |
| CAK | CAY | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAV | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAZ | CAM | sing | 1.53Å | 1.52Å | |
| CAM | NBA | sing | 1.47Å | 1.47Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAN | CAT | doub | 1.33Å | 1.34Å | Aromatic |
| NAO | CAV | sing | 1.33Å | 1.34Å | Aromatic |
| CAU | NAP | sing | 1.33Å | 1.34Å | Aromatic |
| NAP | CAW | doub | 1.33Å | 1.34Å | Aromatic |
| CAV | NAQ | sing | 1.39Å | 1.34Å | |
| NAQ | CAU | sing | 1.39Å | 1.34Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CAW | OAR | sing | 1.35Å | 1.37Å | |
| CAZ | OAR | sing | 1.43Å | 1.44Å | |
| CAS | CAY | doub | 1.41Å | 1.39Å | Aromatic |
| CAW | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.42Å | 1.39Å | Aromatic |
| CAZ | HAZ | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAZ | CAA | HAA | 109.5° | 109.4° |
| CAZ | CAA | HAAA | 109.4° | 109.4° |
| CAZ | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAZ | CAM | 103.2° | 109.5° |
| CAA | CAZ | OAR | 108.1° | 109.5° |
| CAA | CAZ | HAZ | 110.6° | 109.4° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| NBA | CAB | HAB | 109.5° | 109.5° |
| NBA | CAB | HABA | 109.5° | 109.5° |
| NBA | CAB | HABB | 109.5° | 109.5° |
| CAB | NBA | CAC | 110.1° | 110.9° |
| CAB | NBA | CAM | 111.7° | 111.0° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.4° | 109.4° |
| NBA | CAC | HAC | 109.5° | 109.4° |
| NBA | CAC | HACA | 109.4° | 109.5° |
| NBA | CAC | HACB | 109.5° | 109.5° |
| CAC | NBA | CAM | 107.6° | 111.0° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| NAD | CAF | CAT | 179.5° | 180.0° |
| CL | CAS | CAH | 120.0° | 120.2° |
| CL | CAS | CAY | 120.3° | 120.3° |
| CAF | CAT | NAN | 120.0° | 120.1° |
| CAF | CAT | CAW | 120.1° | 120.0° |
| CAH | CAG | CAI | 120.2° | 121.0° |
| CAH | CAG | HAG | 119.9° | 119.4° |
| CAG | CAH | CAS | 119.9° | 121.1° |
| CAG | CAH | HAH | 120.0° | 119.4° |
| CAI | CAG | HAG | 119.9° | 119.5° |
| CAG | CAI | CAX | 119.8° | 119.5° |
| CAG | CAI | HAI | 120.1° | 120.2° |
| CAS | CAH | HAH | 120.0° | 119.5° |
| CAH | CAS | CAY | 119.8° | 119.5° |
| CAX | CAI | HAI | 120.1° | 120.3° |
| CAI | CAX | CAL | 121.0° | 122.1° |
| CAI | CAX | CAY | 120.0° | 119.6° |
| CAU | CAJ | NAN | 120.8° | 120.2° |
| CAU | CAJ | HAJ | 119.6° | 119.9° |
| CAJ | CAU | NAP | 119.3° | 120.2° |
| CAJ | CAU | NAQ | 118.3° | 119.9° |
| NAN | CAJ | HAJ | 119.6° | 119.9° |
| CAJ | NAN | CAT | 120.0° | 120.0° |
| NAO | CAK | CAY | 120.7° | 120.2° |
| NAO | CAK | HAK | 119.7° | 119.9° |
| CAK | NAO | CAV | 122.3° | 122.7° |
| CAY | CAK | HAK | 119.6° | 119.9° |
| CAK | CAY | CAS | 120.6° | 121.9° |
| CAK | CAY | CAX | 119.1° | 118.8° |
| CAV | CAL | CAX | 119.5° | 118.5° |
| CAV | CAL | HAL | 120.3° | 120.8° |
| CAL | CAV | NAO | 119.4° | 121.5° |
| CAL | CAV | NAQ | 122.7° | 119.2° |
| CAX | CAL | HAL | 120.2° | 120.7° |
| CAL | CAX | CAY | 119.0° | 118.3° |
| CAZ | CAM | NBA | 106.2° | 109.5° |
| CAZ | CAM | HAM | 110.3° | 109.5° |
| CAZ | CAM | HAMA | 110.3° | 109.5° |
| CAM | CAZ | OAR | 112.0° | 109.5° |
| CAM | CAZ | HAZ | 110.7° | 109.5° |
| NBA | CAM | HAM | 110.3° | 109.5° |
| NBA | CAM | HAMA | 110.3° | 109.5° |
| HAM | CAM | HAMA | 109.5° | 109.4° |
| NAN | CAT | CAW | 119.9° | 119.9° |
| NAO | CAV | NAQ | 117.8° | 119.2° |
| CAU | NAP | CAW | 120.2° | 119.9° |
| NAP | CAU | NAQ | 122.3° | 119.9° |
| NAP | CAW | OAR | 120.5° | 120.1° |
| NAP | CAW | CAT | 119.6° | 119.8° |
| CAV | NAQ | CAU | 126.9° | 120.0° |
| CAV | NAQ | HNAQ | 116.6° | 120.0° |
| CAU | NAQ | HNAQ | 116.6° | 120.0° |
| CAW | OAR | CAZ | 110.7° | 117.0° |
| OAR | CAW | CAT | 119.6° | 120.1° |
| OAR | CAZ | HAZ | 111.9° | 109.5° |
| CAS | CAY | CAX | 120.3° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAZ | CAA | HAA | HAAA | 120.0° | 119.9° |
| CAZ | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAZ | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAZ | CAM | OAR | 116.0° | 120.0° |
| CAA | CAZ | CAM | HAZ | 118.3° | 120.0° |
| CAA | CAZ | CAM | NBA | 178.2° | 175.0° |
| CAA | CAZ | CAM | HAM | 58.7° | 65.0° |
| CAA | CAZ | CAM | HAMA | 62.3° | 55.0° |
| CAA | CAZ | OAR | CAW | 81.7° | 89.9° |
| CAA | CAZ | OAR | HAZ | 122.0° | 120.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
| HAA | CAA | CAZ | CAM | 180.0° | 60.0° |
| HAA | CAA | CAZ | OAR | 61.2° | 180.0° |
| HAA | CAA | CAZ | HAZ | 61.6° | 60.0° |
| HAAA | CAA | CAZ | CAM | 60.0° | 60.0° |
| HAAA | CAA | CAZ | OAR | 178.7° | 60.0° |
| HAAA | CAA | CAZ | HAZ | 58.5° | NaN° |
| HAAB | CAA | CAZ | CAM | 60.0° | 180.0° |
| HAAB | CAA | CAZ | OAR | 58.8° | 60.0° |
| HAAB | CAA | CAZ | HAZ | 178.5° | 60.0° |
| NBA | CAB | HAB | HABA | 120.0° | 120.0° |
| NBA | CAB | HAB | HABB | 120.0° | 120.0° |
| NBA | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | NBA | CAC | CAM | 121.9° | 123.9° |
| CAB | NBA | CAC | HAC | 180.0° | 176.1° |
| CAB | NBA | CAC | HACA | 60.0° | 56.1° |
| CAB | NBA | CAC | HACB | 60.0° | 64.0° |
| CAB | NBA | CAM | CAZ | 179.6° | 164.0° |
| CAB | NBA | CAM | HAM | 60.9° | 44.0° |
| CAB | NBA | CAM | HAMA | 60.1° | 76.0° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
| HAB | CAB | NBA | CAC | 180.0° | 68.3° |
| HAB | CAB | NBA | CAM | 60.5° | 55.6° |
| HABA | CAB | NBA | CAC | 60.0° | 51.7° |
| HABA | CAB | NBA | CAM | 59.5° | 175.6° |
| HABB | CAB | NBA | CAC | 60.0° | 171.7° |
| HABB | CAB | NBA | CAM | 179.4° | 64.4° |
| NBA | CAC | HAC | HACA | 120.0° | 120.0° |
| NBA | CAC | HAC | HACB | 120.0° | 120.0° |
| NBA | CAC | HACA | HACB | 120.0° | 120.1° |
| CAC | NBA | CAM | CAZ | 58.7° | 72.2° |
| CAC | NBA | CAM | HAM | 178.2° | 167.9° |
| CAC | NBA | CAM | HAMA | 60.8° | 47.9° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | NBA | CAM | 58.1° | 60.0° |
| HACA | CAC | NBA | CAM | 178.1° | 180.0° |
| HACB | CAC | NBA | CAM | 61.9° | 59.9° |
| NAD | CAF | CAT | NAN | 143.7° | 68.3° |
| NAD | CAF | CAT | CAW | 39.3° | 111.7° |
| CL | CAS | CAH | CAG | 180.0° | 180.0° |
| CL | CAS | CAH | CAY | 180.0° | 179.9° |
| CL | CAS | CAH | HAH | 0.0° | 0.0° |
| CL | CAS | CAY | CAK | 0.1° | 0.1° |
| CL | CAS | CAY | CAX | 180.0° | 179.7° |
| CAF | CAT | NAN | CAJ | 179.5° | 179.9° |
| CAF | CAT | NAN | CAW | 177.0° | 180.0° |
| CAF | CAT | CAW | NAP | 178.3° | 179.5° |
| CAF | CAT | CAW | OAR | 4.8° | 0.2° |
| CAH | CAG | CAI | HAG | 180.0° | 179.7° |
| CAG | CAH | CAS | HAH | 180.0° | 180.0° |
| CAH | CAG | CAI | CAX | 0.1° | 0.3° |
| CAH | CAG | CAI | HAI | 179.9° | 179.8° |
| CAG | CAH | CAS | CAY | 0.0° | 0.1° |
| CAI | CAG | CAH | CAS | 0.1° | 0.0° |
| CAI | CAG | CAH | HAH | 179.9° | 180.0° |
| CAG | CAI | CAX | HAI | 180.0° | 179.9° |
| CAG | CAI | CAX | CAL | 179.8° | 180.0° |
| CAG | CAI | CAX | CAY | 0.1° | 0.6° |
| HAG | CAG | CAH | CAS | 180.0° | 179.7° |
| HAG | CAG | CAH | HAH | 0.0° | 0.3° |
| HAG | CAG | CAI | CAX | 179.9° | 180.0° |
| HAG | CAG | CAI | HAI | 0.1° | 0.0° |
| CAH | CAS | CAY | CAK | 179.8° | 180.0° |
| CAH | CAS | CAY | CAX | 0.0° | 0.2° |
| HAH | CAH | CAS | CAY | 180.0° | 180.0° |
| CAI | CAX | CAY | CAK | 179.8° | 179.7° |
| CAI | CAX | CAL | CAV | 179.1° | 180.0° |
| CAI | CAX | CAL | CAY | 179.8° | 179.4° |
| CAI | CAX | CAL | HAL | 0.9° | 0.0° |
| CAI | CAX | CAY | CAS | 0.0° | 0.6° |
| HAI | CAI | CAX | CAL | 0.1° | 0.0° |
| HAI | CAI | CAX | CAY | 179.9° | 179.5° |
| CAU | CAJ | NAN | HAJ | 180.0° | 179.6° |
| CAU | CAJ | NAN | CAT | 1.4° | 0.3° |
| CAJ | CAU | NAP | NAQ | 175.9° | 180.0° |
| CAJ | CAU | NAP | CAW | 4.8° | 0.5° |
| CAJ | CAU | NAQ | CAV | 175.9° | 175.0° |
| CAJ | CAU | NAQ | HNAQ | 4.1° | 5.0° |
| NAN | CAJ | CAU | NAP | 2.5° | 0.0° |
| NAN | CAJ | CAU | NAQ | 178.6° | 179.9° |
| CAJ | NAN | CAT | CAW | 2.4° | 0.1° |
| HAJ | CAJ | NAN | CAT | 178.6° | 180.0° |
| HAJ | CAJ | CAU | NAP | 177.5° | 179.7° |
| HAJ | CAJ | CAU | NAQ | 1.4° | 0.3° |
| NAO | CAK | CAY | HAK | 180.0° | 180.0° |
| CAK | NAO | CAV | CAL | 2.4° | 1.0° |
| CAK | NAO | CAV | NAQ | 179.0° | 180.0° |
| NAO | CAK | CAY | CAS | 179.8° | 180.0° |
| NAO | CAK | CAY | CAX | 0.4° | 0.3° |
| CAK | CAY | CAX | CAL | 0.0° | 0.2° |
| CAY | CAK | NAO | CAV | 1.7° | 0.7° |
| CAK | CAY | CAS | CAX | 179.8° | 179.7° |
| HAK | CAK | NAO | CAV | 178.4° | 179.3° |
| HAK | CAK | CAY | CAS | 0.2° | 0.0° |
| HAK | CAK | CAY | CAX | 179.6° | 179.7° |
| CAV | CAL | CAX | HAL | 180.0° | 180.0° |
| CAL | CAV | NAO | NAQ | 176.6° | 178.9° |
| CAL | CAV | NAQ | CAU | 3.5° | 174.6° |
| CAL | CAV | NAQ | HNAQ | 176.5° | 5.4° |
| CAV | CAL | CAX | CAY | 0.7° | 0.5° |
| CAX | CAL | CAV | NAO | 1.9° | 0.9° |
| CAX | CAL | CAV | NAQ | 178.3° | 179.9° |
| CAL | CAX | CAY | CAS | 179.8° | 180.0° |
| HAL | CAL | CAV | NAO | 178.1° | 179.0° |
| HAL | CAL | CAV | NAQ | 1.7° | 0.1° |
| HAL | CAL | CAX | CAY | 179.3° | 179.4° |
| CAZ | CAM | NBA | HAM | 119.5° | 120.0° |
| CAZ | CAM | NBA | HAMA | 119.5° | 120.0° |
| CAZ | CAM | HAM | HAMA | 121.5° | 120.0° |
| CAM | CAZ | OAR | CAW | 165.3° | 150.0° |
| CAM | CAZ | OAR | HAZ | 125.1° | 120.0° |
| NBA | CAM | HAM | HAMA | 121.5° | 120.0° |
| NBA | CAM | CAZ | OAR | 62.2° | 64.9° |
| NBA | CAM | CAZ | HAZ | 63.5° | 55.1° |
| HAM | CAM | CAZ | OAR | 57.3° | 55.1° |
| HAM | CAM | CAZ | HAZ | 177.0° | 175.0° |
| HAMA | CAM | CAZ | OAR | 178.3° | 175.0° |
| HAMA | CAM | CAZ | HAZ | 56.0° | 65.0° |
| NAN | CAT | CAW | NAP | 4.7° | 0.5° |
| NAN | CAT | CAW | OAR | 178.1° | 179.8° |
| NAO | CAV | NAQ | CAU | 180.0° | 4.4° |
| NAO | CAV | NAQ | HNAQ | 0.0° | 175.6° |
| NAP | CAU | NAQ | CAV | 0.1° | 5.0° |
| NAP | CAU | NAQ | HNAQ | 179.9° | 175.0° |
| CAU | NAP | CAW | OAR | 179.2° | 179.9° |
| CAU | NAP | CAW | CAT | 5.9° | 0.8° |
| CAW | NAP | CAU | NAQ | 179.3° | 179.5° |
| NAP | CAW | OAR | CAT | 173.4° | 179.3° |
| NAP | CAW | OAR | CAZ | 10.8° | 0.1° |
| CAV | NAQ | CAU | HNAQ | 180.0° | 180.0° |
| CAW | OAR | CAZ | HAZ | 40.2° | 30.0° |
| CAZ | OAR | CAW | CAT | 162.5° | 179.2° |
