EQN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAY | sing | 1.53Å | 1.54Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | CAY | sing | 1.53Å | 1.55Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | CAZ | sing | 1.53Å | 1.54Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAD | CAZ | sing | 1.53Å | 1.54Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å | |
| OAE | CAR | doub | 1.21Å | 1.24Å | |
| OAF | CAS | doub | 1.22Å | 1.23Å | |
| OAG | CAR | sing | 1.35Å | 1.25Å | |
| CAH | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAT | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAU | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAM | doub | 1.38Å | 1.37Å | Aromatic |
| CAL | CAV | sing | 1.40Å | 1.37Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAW | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAV | doub | 1.39Å | 1.37Å | Aromatic |
| CAN | CAX | sing | 1.39Å | 1.41Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| CAO | CAY | sing | 1.53Å | 1.50Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | CAZ | sing | 1.53Å | 1.51Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAQ | CAS | sing | 1.35Å | 1.37Å | |
| NAQ | CAT | sing | 1.39Å | 1.35Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CAR | CAU | sing | 1.47Å | 1.55Å | |
| CAS | CAV | sing | 1.48Å | 1.49Å | |
| CAW | CAX | doub | 1.38Å | 1.41Å | Aromatic |
| CAW | CAZ | sing | 1.51Å | 1.60Å | |
| CAX | CAY | sing | 1.51Å | 1.61Å | |
| OAG | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | CAA | HAA | 109.5° | 109.5° |
| CAY | CAA | HAAA | 109.5° | 109.5° |
| CAY | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAY | CAB | 107.4° | 109.3° |
| CAA | CAY | CAO | 109.5° | 109.2° |
| CAA | CAY | CAX | 101.4° | 109.3° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| CAY | CAB | HAB | 109.5° | 109.5° |
| CAY | CAB | HABA | 109.5° | 109.5° |
| CAY | CAB | HABB | 109.4° | 109.5° |
| CAB | CAY | CAO | 108.5° | 109.2° |
| CAB | CAY | CAX | 92.4° | 109.3° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| CAZ | CAC | HAC | 109.5° | 109.5° |
| CAZ | CAC | HACA | 109.5° | 109.5° |
| CAZ | CAC | HACB | 109.5° | 109.4° |
| CAC | CAZ | CAD | 107.2° | 109.3° |
| CAC | CAZ | CAP | 112.7° | 109.2° |
| CAC | CAZ | CAW | 97.1° | 109.3° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.4° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| CAZ | CAD | HAD | 109.5° | 109.4° |
| CAZ | CAD | HADA | 109.5° | 109.5° |
| CAZ | CAD | HADB | 109.5° | 109.5° |
| CAD | CAZ | CAP | 107.0° | 109.2° |
| CAD | CAZ | CAW | 93.1° | 109.3° |
| HAD | CAD | HADA | 109.4° | 109.5° |
| HAD | CAD | HADB | 109.5° | 109.5° |
| HADA | CAD | HADB | 109.5° | 109.5° |
| OAE | CAR | OAG | 123.2° | 120.0° |
| OAE | CAR | CAU | 118.5° | 120.1° |
| OAF | CAS | NAQ | 126.9° | 120.0° |
| OAF | CAS | CAV | 117.2° | 120.0° |
| OAG | CAR | CAU | 118.2° | 120.0° |
| CAR | OAG | H25 | 109.5° | 117.0° |
| CAJ | CAH | CAT | 120.3° | 120.1° |
| CAJ | CAH | HAH | 119.9° | 120.0° |
| CAH | CAJ | CAU | 120.4° | 119.9° |
| CAH | CAJ | HAJ | 119.8° | 120.0° |
| CAT | CAH | HAH | 119.9° | 119.9° |
| CAH | CAT | CAI | 118.7° | 120.1° |
| CAH | CAT | NAQ | 123.2° | 119.9° |
| CAK | CAI | CAT | 121.0° | 120.1° |
| CAK | CAI | HAI | 119.5° | 120.0° |
| CAI | CAK | CAU | 120.1° | 119.9° |
| CAI | CAK | HAK | 120.0° | 120.1° |
| CAT | CAI | HAI | 119.5° | 119.9° |
| CAI | CAT | NAQ | 118.1° | 119.9° |
| CAU | CAJ | HAJ | 119.8° | 120.1° |
| CAJ | CAU | CAK | 119.4° | 119.8° |
| CAJ | CAU | CAR | 120.9° | 120.1° |
| CAU | CAK | HAK | 119.9° | 120.0° |
| CAK | CAU | CAR | 119.7° | 120.1° |
| CAM | CAL | CAV | 115.2° | 119.6° |
| CAM | CAL | HAL | 122.4° | 120.2° |
| CAL | CAM | CAW | 128.3° | 120.8° |
| CAL | CAM | HAM | 115.8° | 119.6° |
| CAV | CAL | HAL | 122.4° | 120.2° |
| CAL | CAV | CAN | 118.8° | 119.5° |
| CAL | CAV | CAS | 118.8° | 120.3° |
| CAW | CAM | HAM | 115.8° | 119.6° |
| CAM | CAW | CAX | 115.7° | 119.9° |
| CAM | CAW | CAZ | 134.5° | 117.6° |
| CAV | CAN | CAX | 127.3° | 120.4° |
| CAV | CAN | HAN | 116.3° | 119.8° |
| CAN | CAV | CAS | 122.3° | 120.3° |
| CAX | CAN | HAN | 116.4° | 119.8° |
| CAN | CAX | CAW | 114.8° | 119.8° |
| CAN | CAX | CAY | 132.3° | 117.6° |
| CAP | CAO | CAY | 107.1° | 108.4° |
| CAP | CAO | HAO | 110.3° | 109.7° |
| CAP | CAO | HAOA | 110.3° | 109.7° |
| CAO | CAP | CAZ | 108.9° | 108.4° |
| CAO | CAP | HAP | 109.7° | 109.7° |
| CAO | CAP | HAPA | 109.6° | 109.7° |
| CAY | CAO | HAO | 110.2° | 109.6° |
| CAY | CAO | HAOA | 110.3° | 109.7° |
| CAO | CAY | CAX | 134.6° | 110.6° |
| HAO | CAO | HAOA | 108.7° | 109.7° |
| CAZ | CAP | HAP | 109.7° | 109.7° |
| CAZ | CAP | HAPA | 109.7° | 109.7° |
| CAP | CAZ | CAW | 136.1° | 110.6° |
| HAP | CAP | HAPA | 109.3° | 109.7° |
| CAS | NAQ | CAT | 124.7° | 120.0° |
| CAS | NAQ | HNAQ | 117.7° | 120.0° |
| NAQ | CAS | CAV | 115.4° | 120.0° |
| CAT | NAQ | HNAQ | 117.7° | 120.0° |
| CAX | CAW | CAZ | 109.9° | 122.5° |
| CAW | CAX | CAY | 113.0° | 122.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAY | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAY | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAY | CAB | CAO | 118.2° | 119.4° |
| CAA | CAY | CAB | CAX | 102.8° | 119.5° |
| CAA | CAY | CAB | HAB | 180.0° | 59.9° |
| CAA | CAY | CAB | HABA | 60.0° | 180.0° |
| CAA | CAY | CAB | HABB | 60.0° | 60.0° |
| CAA | CAY | CAX | CAN | 62.5° | 77.5° |
| CAA | CAY | CAO | CAP | 95.5° | 69.1° |
| CAA | CAY | CAO | CAX | 130.0° | 120.3° |
| CAA | CAY | CAO | HAO | 144.5° | 171.2° |
| CAA | CAY | CAO | HAOA | 24.5° | 50.7° |
| CAA | CAY | CAX | CAW | 117.9° | 102.2° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.0° |
| HAA | CAA | CAY | CAB | 180.0° | 60.0° |
| HAA | CAA | CAY | CAO | 62.4° | 59.4° |
| HAA | CAA | CAY | CAX | 83.8° | 179.5° |
| HAAA | CAA | CAY | CAB | 60.0° | 180.0° |
| HAAA | CAA | CAY | CAO | 177.6° | 60.6° |
| HAAA | CAA | CAY | CAX | 36.3° | 60.5° |
| HAAB | CAA | CAY | CAB | 60.0° | 60.0° |
| HAAB | CAA | CAY | CAO | 57.5° | 179.5° |
| HAAB | CAA | CAY | CAX | 156.3° | 59.5° |
| CAY | CAB | HAB | HABA | 120.0° | 120.1° |
| CAY | CAB | HAB | HABB | 120.0° | 120.0° |
| CAY | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAY | CAX | CAN | 45.8° | 42.0° |
| CAB | CAY | CAO | CAP | 147.5° | 171.5° |
| CAB | CAY | CAO | CAX | 113.1° | 120.3° |
| CAB | CAY | CAO | HAO | 27.6° | 51.8° |
| CAB | CAY | CAO | HAOA | 92.4° | 68.8° |
| CAB | CAY | CAX | CAW | 133.8° | 138.3° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAY | CAO | 61.8° | 179.4° |
| HAB | CAB | CAY | CAX | 77.2° | 59.5° |
| HABA | CAB | CAY | CAO | 58.2° | 60.5° |
| HABA | CAB | CAY | CAX | 162.8° | 60.5° |
| HABB | CAB | CAY | CAO | 178.3° | 59.4° |
| HABB | CAB | CAY | CAX | 42.8° | 179.5° |
| CAZ | CAC | HAC | HACA | 120.0° | 120.0° |
| CAZ | CAC | HAC | HACB | 120.0° | 119.9° |
| CAZ | CAC | HACA | HACB | 120.0° | 119.9° |
| CAC | CAZ | CAD | CAP | 121.1° | 119.4° |
| CAC | CAZ | CAD | CAW | 98.4° | 119.5° |
| CAC | CAZ | CAD | HAD | 180.0° | 60.0° |
| CAC | CAZ | CAD | HADA | 60.0° | 180.0° |
| CAC | CAZ | CAD | HADB | 60.0° | 60.0° |
| CAC | CAZ | CAW | CAM | 55.4° | 77.4° |
| CAC | CAZ | CAP | CAO | 100.6° | 69.1° |
| CAC | CAZ | CAP | CAW | 128.8° | 120.3° |
| CAC | CAZ | CAP | HAP | 139.4° | 171.2° |
| CAC | CAZ | CAP | HAPA | 19.4° | 50.6° |
| CAC | CAZ | CAW | CAX | 125.7° | 102.2° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CAZ | CAD | 180.0° | 60.0° |
| HAC | CAC | CAZ | CAP | 62.5° | 59.4° |
| HAC | CAC | CAZ | CAW | 84.5° | 179.5° |
| HACA | CAC | CAZ | CAD | 60.0° | 180.0° |
| HACA | CAC | CAZ | CAP | 177.5° | 60.6° |
| HACA | CAC | CAZ | CAW | 35.5° | 60.5° |
| HACB | CAC | CAZ | CAD | 60.0° | 60.0° |
| HACB | CAC | CAZ | CAP | 57.5° | 179.4° |
| HACB | CAC | CAZ | CAW | 155.5° | 59.5° |
| CAZ | CAD | HAD | HADA | 120.0° | 119.9° |
| CAZ | CAD | HAD | HADB | 120.0° | 120.0° |
| CAZ | CAD | HADA | HADB | 120.0° | 120.0° |
| CAD | CAZ | CAW | CAM | 52.4° | 42.1° |
| CAD | CAZ | CAP | CAO | 141.8° | 171.5° |
| CAD | CAZ | CAP | CAW | 113.6° | 120.3° |
| CAD | CAZ | CAP | HAP | 21.8° | 51.7° |
| CAD | CAZ | CAP | HAPA | 98.2° | 68.8° |
| CAD | CAZ | CAW | CAX | 126.5° | 138.3° |
| HAD | CAD | HADA | HADB | 120.0° | 120.0° |
| HAD | CAD | CAZ | CAP | 58.9° | 179.5° |
| HAD | CAD | CAZ | CAW | 81.6° | 59.5° |
| HADA | CAD | CAZ | CAP | 61.1° | 60.6° |
| HADA | CAD | CAZ | CAW | 158.4° | 60.5° |
| HADB | CAD | CAZ | CAP | 178.9° | 59.4° |
| HADB | CAD | CAZ | CAW | 38.4° | 179.5° |
| OAE | CAR | OAG | CAU | 175.8° | 180.0° |
| OAE | CAR | CAU | CAJ | 5.8° | 0.0° |
| OAE | CAR | CAU | CAK | 175.7° | 180.0° |
| OAE | CAR | OAG | H25 | 0.0° | 0.0° |
| OAF | CAS | CAV | CAL | 14.2° | 180.0° |
| OAF | CAS | CAV | CAN | 170.1° | 0.0° |
| OAF | CAS | NAQ | CAV | 171.6° | 180.0° |
| OAF | CAS | NAQ | CAT | 2.5° | 5.3° |
| OAF | CAS | NAQ | HNAQ | 177.5° | 174.8° |
| OAG | CAR | CAU | CAJ | 170.2° | 180.0° |
| OAG | CAR | CAU | CAK | 8.3° | 0.0° |
| CAJ | CAH | CAT | HAH | 180.0° | 179.8° |
| CAJ | CAH | CAT | CAI | 1.4° | 0.1° |
| CAH | CAJ | CAU | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAU | CAK | 0.6° | 0.0° |
| CAJ | CAH | CAT | NAQ | 178.8° | 180.0° |
| CAH | CAJ | CAU | CAR | 177.9° | 180.0° |
| CAH | CAT | CAI | CAK | 0.5° | 0.1° |
| CAH | CAT | CAI | NAQ | 179.8° | 180.0° |
| CAH | CAT | CAI | HAI | 179.5° | 180.0° |
| CAT | CAH | CAJ | CAU | 1.5° | 0.0° |
| CAT | CAH | CAJ | HAJ | 178.5° | 180.0° |
| CAH | CAT | NAQ | CAS | 17.3° | 146.4° |
| CAH | CAT | NAQ | HNAQ | 162.7° | 33.6° |
| HAH | CAH | CAT | CAI | 178.7° | 179.7° |
| HAH | CAH | CAJ | CAU | 178.5° | 179.8° |
| HAH | CAH | CAJ | HAJ | 1.5° | 0.2° |
| HAH | CAH | CAT | NAQ | 1.1° | 0.3° |
| CAK | CAI | CAT | HAI | 180.0° | 179.9° |
| CAI | CAK | CAU | CAJ | 0.3° | 0.0° |
| CAI | CAK | CAU | HAK | 180.0° | 180.0° |
| CAK | CAI | CAT | NAQ | 179.7° | 180.0° |
| CAI | CAK | CAU | CAR | 178.8° | 180.0° |
| CAT | CAI | CAK | CAU | 0.4° | 0.0° |
| CAT | CAI | CAK | HAK | 179.6° | 180.0° |
| CAI | CAT | NAQ | CAS | 162.5° | 33.6° |
| CAI | CAT | NAQ | HNAQ | 17.5° | 146.3° |
| HAI | CAI | CAK | CAU | 179.6° | 179.9° |
| HAI | CAI | CAK | HAK | 0.4° | 0.1° |
| HAI | CAI | CAT | NAQ | 0.3° | 0.1° |
| CAJ | CAU | CAK | CAR | 178.6° | 180.0° |
| CAJ | CAU | CAK | HAK | 179.7° | 180.0° |
| HAJ | CAJ | CAU | CAK | 179.4° | 180.0° |
| HAJ | CAJ | CAU | CAR | 2.1° | 0.0° |
| HAK | CAK | CAU | CAR | 1.1° | 0.0° |
| CAM | CAL | CAV | HAL | 180.0° | 179.7° |
| CAL | CAM | CAW | HAM | 180.0° | 180.0° |
| CAM | CAL | CAV | CAN | 1.3° | 0.1° |
| CAM | CAL | CAV | CAS | 177.2° | 179.9° |
| CAL | CAM | CAW | CAX | 0.4° | 0.3° |
| CAL | CAM | CAW | CAZ | 178.4° | 179.3° |
| CAV | CAL | CAM | CAW | 0.8° | 0.0° |
| CAV | CAL | CAM | HAM | 179.2° | 180.0° |
| CAL | CAV | CAN | CAS | 175.7° | 180.0° |
| CAL | CAV | CAN | CAX | 1.8° | 0.1° |
| CAL | CAV | CAN | HAN | 178.2° | 180.0° |
| CAL | CAV | CAS | NAQ | 158.3° | 0.0° |
| HAL | CAL | CAM | CAW | 179.3° | 179.8° |
| HAL | CAL | CAM | HAM | 0.7° | 0.2° |
| HAL | CAL | CAV | CAN | 178.7° | 179.7° |
| HAL | CAL | CAV | CAS | 2.8° | 0.4° |
| CAM | CAW | CAX | CAN | 0.6° | 0.4° |
| CAM | CAW | CAZ | CAP | 171.0° | 162.3° |
| CAM | CAW | CAX | CAZ | 179.1° | 179.6° |
| CAM | CAW | CAX | CAY | 179.1° | 179.2° |
| HAM | CAM | CAW | CAX | 179.6° | 179.7° |
| HAM | CAM | CAW | CAZ | 1.6° | 0.7° |
| CAV | CAN | CAX | HAN | 180.0° | 179.9° |
| CAN | CAV | CAS | NAQ | 17.5° | 180.0° |
| CAV | CAN | CAX | CAW | 1.4° | 0.3° |
| CAV | CAN | CAX | CAY | 178.2° | 179.4° |
| CAN | CAX | CAY | CAO | 164.9° | 162.3° |
| CAX | CAN | CAV | CAS | 177.5° | 180.0° |
| CAN | CAX | CAW | CAY | 179.7° | 179.7° |
| CAN | CAX | CAW | CAZ | 178.5° | 179.2° |
| HAN | CAN | CAV | CAS | 2.5° | 0.1° |
| HAN | CAN | CAX | CAW | 178.6° | 179.8° |
| HAN | CAN | CAX | CAY | 1.8° | 0.5° |
| CAP | CAO | CAY | HAO | 120.0° | 119.7° |
| CAP | CAO | CAY | HAOA | 120.0° | 119.8° |
| CAP | CAO | HAO | HAOA | 121.0° | 120.6° |
| CAO | CAP | CAZ | HAP | 120.0° | 119.7° |
| CAO | CAP | CAZ | HAPA | 120.0° | 119.7° |
| CAO | CAP | HAP | HAPA | 120.2° | 120.5° |
| CAO | CAP | CAZ | CAW | 28.1° | 51.2° |
| CAP | CAO | CAY | CAX | 34.5° | 51.2° |
| CAY | CAO | HAO | HAOA | 121.0° | 120.5° |
| CAY | CAO | CAP | CAZ | 32.9° | 69.9° |
| CAY | CAO | CAP | HAP | 87.1° | 49.9° |
| CAY | CAO | CAP | HAPA | 152.9° | 170.4° |
| CAO | CAY | CAX | CAW | 14.7° | 18.1° |
| HAO | CAO | CAP | CAZ | 87.1° | 49.8° |
| HAO | CAO | CAP | HAP | 152.9° | 169.5° |
| HAO | CAO | CAP | HAPA | 32.9° | 69.9° |
| HAO | CAO | CAY | CAX | 85.5° | 68.5° |
| HAOA | CAO | CAP | CAZ | 152.9° | 170.4° |
| HAOA | CAO | CAP | HAP | 32.9° | 69.9° |
| HAOA | CAO | CAP | HAPA | 87.1° | 50.7° |
| HAOA | CAO | CAY | CAX | 154.5° | 171.0° |
| CAZ | CAP | HAP | HAPA | 120.2° | 120.5° |
| CAP | CAZ | CAW | CAX | 7.8° | 18.1° |
| HAP | CAP | CAZ | CAW | 91.9° | 68.5° |
| HAPA | CAP | CAZ | CAW | 148.1° | 170.9° |
| CAS | NAQ | CAT | HNAQ | 180.0° | 179.9° |
| CAT | NAQ | CAS | CAV | 174.1° | 174.7° |
| HNAQ | NAQ | CAS | CAV | 5.9° | 5.2° |
| CAU | CAR | OAG | H25 | 175.8° | 180.0° |
| CAZ | CAW | CAX | CAY | 1.8° | 1.2° |
