SGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAC | sing | 1.39Å | 1.44Å | |
| NAA | CAG | sing | 1.47Å | 1.45Å | |
| NAA | CAY | sing | 1.47Å | 1.46Å | |
| CAB | CAF | doub | 1.40Å | 1.46Å | Aromatic |
| CAB | CAG | sing | 1.50Å | 1.42Å | |
| CAB | CAH | sing | 1.38Å | 1.45Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.51Å | Aromatic |
| CAC | CAE | sing | 1.41Å | 1.47Å | Aromatic |
| CAD | CAF | sing | 1.48Å | 1.48Å | Aromatic |
| CAD | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | CAI | doub | 1.41Å | 1.39Å | Aromatic |
| CAE | CAJ | sing | 1.42Å | 1.50Å | Aromatic |
| CAF | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAP | doub | 1.41Å | 1.45Å | Aromatic |
| CAH | OAQ | sing | 1.35Å | 1.36Å | |
| CAI | CAK | sing | 1.37Å | 1.38Å | Aromatic |
| CAJ | CAN | doub | 1.41Å | 1.41Å | Aromatic |
| CAJ | CAW | sing | 1.41Å | 1.40Å | Aromatic |
| CAK | CAL | doub | 1.42Å | 1.46Å | Aromatic |
| CAK | OAR | sing | 1.35Å | 1.37Å | |
| CAL | CAN | sing | 1.37Å | 1.40Å | Aromatic |
| CAL | OAS | sing | 1.35Å | 1.36Å | |
| CAM | CAW | doub | 1.36Å | 1.39Å | Aromatic |
| CAO | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | OAT | sing | 1.35Å | 1.36Å | |
| CAP | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| OAQ | CAU | sing | 1.44Å | 1.45Å | |
| OAR | CAV | sing | 1.44Å | 1.45Å | |
| OAS | CAV | sing | 1.44Å | 1.44Å | |
| OAT | CAU | sing | 1.44Å | 1.45Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAU | HAUA | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CAY | HAYA | sing | 1.09Å | 1.10Å | |
| CAY | HAYB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | NAA | CAG | 92.6° | 113.5° |
| CAC | NAA | CAY | 110.0° | 111.0° |
| NAA | CAC | CAD | 124.5° | 120.8° |
| NAA | CAC | CAE | 118.8° | 120.1° |
| CAG | NAA | CAY | 119.9° | 111.0° |
| NAA | CAG | CAB | 120.6° | 110.5° |
| NAA | CAG | HAG | 105.9° | 109.3° |
| NAA | CAG | HAGA | 105.9° | 109.3° |
| NAA | CAY | HAY | 109.5° | 109.5° |
| NAA | CAY | HAYA | 109.4° | 109.5° |
| NAA | CAY | HAYB | 109.5° | 109.5° |
| CAF | CAB | CAG | 104.0° | 119.3° |
| CAF | CAB | CAH | 119.3° | 117.8° |
| CAB | CAF | CAD | 115.1° | 116.9° |
| CAB | CAF | CAO | 120.5° | 121.4° |
| CAG | CAB | CAH | 135.6° | 122.9° |
| CAB | CAG | HAG | 105.9° | 109.3° |
| CAB | CAG | HAGA | 106.0° | 109.3° |
| CAB | CAH | CAP | 115.8° | 120.7° |
| CAB | CAH | OAQ | 132.6° | 130.6° |
| CAD | CAC | CAE | 116.3° | 119.1° |
| CAC | CAD | CAF | 116.1° | 118.3° |
| CAC | CAD | CAM | 121.0° | 120.8° |
| CAC | CAE | CAI | 117.7° | 119.7° |
| CAC | CAE | CAJ | 118.8° | 119.4° |
| CAF | CAD | CAM | 121.5° | 120.9° |
| CAD | CAF | CAO | 122.8° | 121.7° |
| CAD | CAM | CAW | 121.0° | 120.8° |
| CAD | CAM | HAM | 119.5° | 119.7° |
| CAI | CAE | CAJ | 123.4° | 120.9° |
| CAE | CAI | CAK | 115.5° | 117.3° |
| CAE | CAI | HAI | 122.3° | 121.4° |
| CAE | CAJ | CAN | 119.7° | 120.6° |
| CAE | CAJ | CAW | 119.9° | 119.8° |
| CAF | CAO | CAX | 120.9° | 121.1° |
| CAF | CAO | HAO | 119.6° | 119.5° |
| CAP | CAH | OAQ | 111.6° | 108.7° |
| CAH | CAP | OAT | 106.0° | 108.7° |
| CAH | CAP | CAX | 123.9° | 121.5° |
| CAH | OAQ | CAU | 105.4° | 105.6° |
| CAI | CAK | CAL | 122.3° | 121.9° |
| CAI | CAK | OAR | 128.3° | 129.5° |
| CAK | CAI | HAI | 122.3° | 121.3° |
| CAN | CAJ | CAW | 120.4° | 119.6° |
| CAJ | CAN | CAL | 115.9° | 117.4° |
| CAJ | CAN | HAN | 122.0° | 121.3° |
| CAJ | CAW | CAM | 122.6° | 120.2° |
| CAJ | CAW | HAW | 118.7° | 119.9° |
| CAL | CAK | OAR | 109.4° | 108.6° |
| CAK | CAL | CAN | 123.2° | 122.0° |
| CAK | CAL | OAS | 106.7° | 108.5° |
| CAK | OAR | CAV | 108.1° | 105.5° |
| CAN | CAL | OAS | 130.1° | 129.5° |
| CAL | CAN | HAN | 122.0° | 121.3° |
| CAL | OAS | CAV | 110.1° | 105.6° |
| CAW | CAM | HAM | 119.5° | 119.5° |
| CAM | CAW | HAW | 118.7° | 119.9° |
| CAO | CAX | CAP | 119.0° | 117.6° |
| CAX | CAO | HAO | 119.6° | 119.4° |
| CAO | CAX | HAX | 120.5° | 121.2° |
| OAT | CAP | CAX | 130.1° | 129.9° |
| CAP | OAT | CAU | 109.0° | 105.6° |
| CAP | CAX | HAX | 120.5° | 121.2° |
| OAQ | CAU | OAT | 106.6° | 104.0° |
| OAQ | CAU | HAU | 110.5° | 110.5° |
| OAQ | CAU | HAUA | 110.5° | 110.5° |
| OAR | CAV | OAS | 105.6° | 104.2° |
| OAR | CAV | HAV | 110.8° | 110.4° |
| OAR | CAV | HAVA | 110.8° | 110.5° |
| OAS | CAV | HAV | 110.8° | 110.5° |
| OAS | CAV | HAVA | 110.8° | 110.5° |
| OAT | CAU | HAU | 110.4° | 110.5° |
| OAT | CAU | HAUA | 110.5° | 110.6° |
| HAG | CAG | HAGA | 112.7° | 109.1° |
| HAU | CAU | HAUA | 108.4° | 110.6° |
| HAV | CAV | HAVA | 108.1° | 110.6° |
| HAY | CAY | HAYA | 109.5° | 109.5° |
| HAY | CAY | HAYB | 109.5° | 109.5° |
| HAYA | CAY | HAYB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | NAA | CAG | CAY | 114.9° | 125.9° |
| CAC | NAA | CAG | CAB | 77.9° | 52.1° |
| NAA | CAC | CAD | CAE | 173.1° | 179.9° |
| NAA | CAC | CAD | CAF | 12.7° | 1.0° |
| NAA | CAC | CAD | CAM | 179.5° | 179.1° |
| NAA | CAC | CAE | CAI | 3.2° | 0.4° |
| NAA | CAC | CAE | CAJ | 178.9° | 179.4° |
| CAC | NAA | CAG | HAG | 162.0° | 172.4° |
| CAC | NAA | CAG | HAGA | 42.1° | 68.2° |
| CAC | NAA | CAY | HAY | 180.0° | 60.0° |
| CAC | NAA | CAY | HAYA | 60.0° | 180.0° |
| CAC | NAA | CAY | HAYB | 60.0° | 60.0° |
| NAA | CAG | CAB | CAF | 75.4° | 34.2° |
| NAA | CAG | CAB | HAG | 120.0° | 120.2° |
| NAA | CAG | CAB | HAGA | 120.0° | 120.3° |
| NAA | CAG | CAB | CAH | 117.1° | 145.7° |
| CAG | NAA | CAC | CAD | 26.6° | 37.2° |
| CAG | NAA | CAC | CAE | 146.4° | 142.9° |
| NAA | CAG | HAG | HAGA | 115.4° | 119.5° |
| CAG | NAA | CAY | HAY | 74.7° | 172.8° |
| CAG | NAA | CAY | HAYA | 45.3° | 52.7° |
| CAG | NAA | CAY | HAYB | 165.3° | 67.2° |
| CAY | NAA | CAG | CAB | 36.9° | 73.8° |
| CAY | NAA | CAC | CAD | 96.5° | 88.7° |
| CAY | NAA | CAC | CAE | 90.5° | 91.2° |
| CAY | NAA | CAG | HAG | 83.1° | 46.5° |
| CAY | NAA | CAG | HAGA | 156.9° | 165.9° |
| NAA | CAY | HAY | HAYA | 120.0° | 120.0° |
| NAA | CAY | HAY | HAYB | 120.0° | 120.0° |
| NAA | CAY | HAYA | HAYB | 120.0° | 120.0° |
| CAF | CAB | CAG | CAH | 167.5° | 179.9° |
| CAB | CAF | CAD | CAC | 19.9° | 17.9° |
| CAB | CAF | CAD | CAO | 165.4° | 179.9° |
| CAB | CAF | CAD | CAM | 173.4° | 162.0° |
| CAF | CAB | CAH | CAP | 6.7° | 0.1° |
| CAF | CAB | CAH | OAQ | 176.5° | 180.0° |
| CAB | CAF | CAO | CAX | 7.5° | 0.2° |
| CAF | CAB | CAG | HAG | 164.5° | 154.4° |
| CAF | CAB | CAG | HAGA | 44.6° | 86.1° |
| CAB | CAF | CAO | HAO | 172.5° | 179.9° |
| CAG | CAB | CAF | CAD | 14.1° | 0.2° |
| CAG | CAB | CAF | CAO | 179.9° | 179.9° |
| CAG | CAB | CAH | CAP | 172.7° | 180.0° |
| CAG | CAB | CAH | OAQ | 10.4° | 0.0° |
| CAB | CAG | HAG | HAGA | 115.4° | 119.6° |
| CAH | CAB | CAF | CAD | 175.9° | 179.7° |
| CAH | CAB | CAF | CAO | 10.1° | 0.2° |
| CAB | CAH | CAP | OAQ | 177.5° | 180.0° |
| CAB | CAH | CAP | OAT | 177.2° | 180.0° |
| CAB | CAH | CAP | CAX | 1.0° | 0.0° |
| CAB | CAH | OAQ | CAU | 169.3° | 163.4° |
| CAH | CAB | CAG | HAG | 3.0° | 25.5° |
| CAH | CAB | CAG | HAGA | 122.9° | 93.9° |
| CAC | CAD | CAF | CAM | 166.7° | 179.9° |
| CAD | CAC | CAE | CAI | 176.8° | 179.7° |
| CAD | CAC | CAE | CAJ | 5.4° | 0.5° |
| CAC | CAD | CAF | CAO | 145.5° | 162.0° |
| CAC | CAD | CAM | CAW | 5.5° | 0.6° |
| CAC | CAD | CAM | HAM | 174.5° | 179.4° |
| CAE | CAC | CAD | CAF | 174.2° | 179.1° |
| CAE | CAC | CAD | CAM | 7.3° | 0.8° |
| CAC | CAE | CAI | CAJ | 177.7° | 179.8° |
| CAC | CAE | CAI | CAK | 178.3° | 179.8° |
| CAC | CAE | CAJ | CAN | 177.4° | 179.9° |
| CAC | CAE | CAJ | CAW | 1.9° | 0.0° |
| CAC | CAE | CAI | HAI | 1.8° | 0.1° |
| CAF | CAD | CAM | CAW | 171.6° | 179.3° |
| CAD | CAF | CAO | CAX | 172.2° | 179.7° |
| CAF | CAD | CAM | HAM | 8.4° | 0.7° |
| CAD | CAF | CAO | HAO | 7.9° | 0.3° |
| CAM | CAD | CAF | CAO | 21.2° | 18.1° |
| CAD | CAM | CAW | CAJ | 1.6° | 0.1° |
| CAD | CAM | CAW | HAM | 180.0° | 179.9° |
| CAD | CAM | CAW | HAW | 178.4° | 179.9° |
| CAE | CAI | CAK | HAI | 180.0° | 180.0° |
| CAI | CAE | CAJ | CAN | 0.3° | 0.1° |
| CAI | CAE | CAJ | CAW | 179.6° | 179.9° |
| CAE | CAI | CAK | CAL | 0.5° | 0.1° |
| CAE | CAI | CAK | OAR | 179.4° | 180.0° |
| CAJ | CAE | CAI | CAK | 0.5° | 0.0° |
| CAE | CAJ | CAN | CAW | 179.2° | 179.9° |
| CAE | CAJ | CAN | CAL | 1.2° | 0.1° |
| CAE | CAJ | CAW | CAM | 0.3° | 0.2° |
| CAJ | CAE | CAI | HAI | 179.5° | 180.0° |
| CAE | CAJ | CAN | HAN | 178.9° | 180.0° |
| CAE | CAJ | CAW | HAW | 179.7° | 179.8° |
| CAF | CAO | CAX | HAO | 180.0° | 180.0° |
| CAF | CAO | CAX | CAP | 1.6° | 0.1° |
| CAF | CAO | CAX | HAX | 178.4° | 180.0° |
| CAH | CAP | CAX | CAO | 1.7° | 0.0° |
| CAH | CAP | OAT | CAX | 178.1° | 180.0° |
| CAP | CAH | OAQ | CAU | 7.6° | 16.6° |
| CAH | CAP | OAT | CAU | 7.4° | 16.6° |
| CAH | CAP | CAX | HAX | 178.3° | 179.9° |
| OAQ | CAH | CAP | OAT | 0.3° | 0.0° |
| OAQ | CAH | CAP | CAX | 178.5° | 180.0° |
| CAH | OAQ | CAU | OAT | 11.7° | 26.1° |
| CAH | OAQ | CAU | HAU | 108.2° | 144.7° |
| CAH | OAQ | CAU | HAUA | 131.8° | 92.6° |
| CAI | CAK | CAL | OAR | 179.9° | 179.9° |
| CAI | CAK | CAL | CAN | 0.4° | 0.1° |
| CAI | CAK | CAL | OAS | 180.0° | 179.9° |
| CAI | CAK | OAR | CAV | 178.2° | 163.3° |
| CAJ | CAN | CAL | CAK | 1.2° | 0.0° |
| CAJ | CAN | CAL | HAN | 180.0° | 180.0° |
| CAJ | CAN | CAL | OAS | 179.2° | 179.9° |
| CAN | CAJ | CAW | CAM | 179.5° | 179.9° |
| CAN | CAJ | CAW | HAW | 0.5° | 0.2° |
| CAW | CAJ | CAN | CAL | 179.6° | 179.9° |
| CAJ | CAW | CAM | HAW | 180.0° | 179.9° |
| CAJ | CAW | CAM | HAM | 178.4° | 179.9° |
| CAW | CAJ | CAN | HAN | 0.4° | 0.1° |
| CAK | CAL | CAN | OAS | 179.5° | 179.9° |
| CAL | CAK | OAR | CAV | 1.7° | 16.8° |
| CAK | CAL | OAS | CAV | 1.8° | 16.8° |
| CAL | CAK | CAI | HAI | 179.5° | 179.9° |
| CAK | CAL | CAN | HAN | 178.8° | 179.9° |
| OAR | CAK | CAL | CAN | 179.7° | 180.0° |
| OAR | CAK | CAL | OAS | 0.1° | 0.0° |
| CAK | OAR | CAV | OAS | 2.7° | 26.4° |
| OAR | CAK | CAI | HAI | 0.6° | 0.0° |
| CAK | OAR | CAV | HAV | 117.2° | 145.1° |
| CAK | OAR | CAV | HAVA | 122.8° | 92.3° |
| CAN | CAL | OAS | CAV | 178.6° | 163.2° |
| CAL | OAS | CAV | OAR | 2.8° | 26.4° |
| OAS | CAL | CAN | HAN | 0.7° | 0.0° |
| CAL | OAS | CAV | HAV | 117.2° | 145.1° |
| CAL | OAS | CAV | HAVA | 122.8° | 92.3° |
| CAO | CAX | CAP | OAT | 179.4° | 180.0° |
| CAO | CAX | CAP | HAX | 180.0° | 179.9° |
| CAP | OAT | CAU | OAQ | 12.1° | 26.1° |
| CAP | OAT | CAU | HAU | 107.9° | 144.8° |
| CAP | OAT | CAU | HAUA | 132.1° | 92.5° |
| OAT | CAP | CAX | HAX | 0.6° | 0.0° |
| CAX | CAP | OAT | CAU | 170.7° | 163.3° |
| CAP | CAX | CAO | HAO | 178.4° | 180.0° |
| OAQ | CAU | OAT | HAU | 120.0° | 118.6° |
| OAQ | CAU | OAT | HAUA | 120.0° | 118.6° |
| OAQ | CAU | HAU | HAUA | 121.2° | 122.7° |
| OAR | CAV | OAS | HAV | 120.0° | 118.6° |
| OAR | CAV | OAS | HAVA | 120.0° | 118.7° |
| OAR | CAV | HAV | HAVA | 121.6° | 122.6° |
| OAS | CAV | HAV | HAVA | 121.6° | 122.6° |
| OAT | CAU | HAU | HAUA | 121.2° | 122.7° |
| HAM | CAM | CAW | HAW | 1.6° | 0.0° |
| HAO | CAO | CAX | HAX | 1.6° | 0.0° |
| HAY | CAY | HAYA | HAYB | 120.0° | 120.0° |
