FSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | OAN | doub | 1.21Å | 1.24Å | |
| CAJ | CAK | sing | 1.51Å | 1.53Å | |
| CAJ | OAM | sing | 1.34Å | 1.36Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAL | CAM | sing | 1.51Å | 1.53Å | |
| CAL | CAQ | sing | 1.51Å | 1.37Å | |
| CAM | OAP | sing | 1.34Å | 1.27Å | |
| CAM | OAO | doub | 1.21Å | 1.26Å | |
| CAQ | CAR | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| OAM | HAM | sing | 0.97Å | 0.95Å | |
| CAL | HA | sing | 1.09Å | 1.10Å | |
| OAP | HAP | sing | 0.97Å | 0.95Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAV | HB | sing | 1.08Å | 1.08Å | |
| CAS | HC | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAJ | CAK | 122.1° | 120.0° |
| OAN | CAJ | OAM | 126.6° | 120.0° |
| CAK | CAJ | OAM | 111.3° | 120.0° |
| CAJ | CAK | CAL | 109.3° | 109.5° |
| CAJ | CAK | HAK1 | 109.5° | 109.5° |
| CAJ | CAK | HAK2 | 109.5° | 109.4° |
| CAJ | OAM | HAM | 109.5° | 117.0° |
| CAK | CAL | CAM | 109.1° | 109.5° |
| CAK | CAL | CAQ | 106.3° | 109.5° |
| CAL | CAK | HAK1 | 109.5° | 109.5° |
| CAL | CAK | HAK2 | 109.5° | 109.5° |
| CAK | CAL | HA | 109.5° | 109.5° |
| CAM | CAL | CAQ | 110.5° | 109.4° |
| CAL | CAM | OAP | 116.4° | 120.0° |
| CAL | CAM | OAO | 116.8° | 120.0° |
| CAM | CAL | HA | 109.5° | 109.5° |
| CAL | CAQ | CAR | 119.6° | 120.0° |
| CAL | CAQ | CAV | 119.6° | 120.0° |
| CAQ | CAL | HA | 111.9° | 109.5° |
| OAP | CAM | OAO | 126.8° | 120.0° |
| CAM | OAP | HAP | 109.5° | 117.0° |
| CAR | CAQ | CAV | 120.8° | 120.0° |
| CAQ | CAR | CAS | 120.0° | 120.0° |
| CAQ | CAR | HAR | 120.0° | 120.0° |
| CAQ | CAV | CAU | 119.2° | 120.0° |
| CAQ | CAV | HB | 120.4° | 120.0° |
| CAR | CAS | CAT | 119.8° | 120.0° |
| CAS | CAR | HAR | 120.0° | 120.0° |
| CAR | CAS | HC | 120.1° | 120.0° |
| CAS | CAT | CAU | 120.3° | 120.0° |
| CAT | CAS | HC | 120.1° | 120.0° |
| CAS | CAT | HAT | 119.8° | 120.0° |
| CAT | CAU | CAV | 119.9° | 120.0° |
| CAU | CAT | HAT | 119.8° | 120.0° |
| CAT | CAU | HAU | 120.0° | 120.0° |
| CAU | CAV | HB | 120.4° | 120.0° |
| CAV | CAU | HAU | 120.0° | 120.0° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAJ | CAK | OAM | 179.3° | 179.7° |
| OAN | CAJ | CAK | CAL | 77.2° | 0.0° |
| OAN | CAJ | CAK | HAK1 | 162.9° | 120.0° |
| OAN | CAJ | CAK | HAK2 | 42.9° | 120.0° |
| OAN | CAJ | OAM | HAM | 0.0° | 0.0° |
| CAJ | CAK | CAL | HAK1 | 120.0° | 120.0° |
| CAJ | CAK | CAL | HAK2 | 120.0° | 119.9° |
| CAJ | CAK | CAL | CAM | 173.7° | 65.0° |
| CAJ | CAK | CAL | CAQ | 54.6° | 175.0° |
| CAJ | CAK | HAK1 | HAK2 | 120.1° | 119.9° |
| CAK | CAJ | OAM | HAM | 179.3° | 179.7° |
| CAJ | CAK | CAL | HA | 66.5° | 55.0° |
| OAM | CAJ | CAK | CAL | 102.2° | 179.7° |
| OAM | CAJ | CAK | HAK1 | 17.8° | 59.7° |
| OAM | CAJ | CAK | HAK2 | 137.8° | 60.3° |
| CAK | CAL | CAM | CAQ | 116.4° | 120.0° |
| CAK | CAL | CAM | HA | 119.8° | 120.0° |
| CAK | CAL | CAQ | HA | 119.5° | 120.1° |
| CAK | CAL | CAM | OAP | 48.5° | 180.0° |
| CAK | CAL | CAM | OAO | 131.5° | 0.0° |
| CAK | CAL | CAQ | CAR | 101.0° | 120.0° |
| CAK | CAL | CAQ | CAV | 76.4° | 60.2° |
| CAL | CAK | HAK1 | HAK2 | 120.1° | 120.0° |
| CAM | CAL | CAQ | HA | 122.3° | 120.0° |
| CAL | CAM | OAP | OAO | 180.0° | 180.0° |
| CAM | CAL | CAQ | CAR | 140.8° | 120.0° |
| CAM | CAL | CAQ | CAV | 41.8° | 59.8° |
| CAM | CAL | CAK | HAK1 | 66.4° | 55.0° |
| CAM | CAL | CAK | HAK2 | 53.7° | 175.0° |
| CAL | CAM | OAP | HAP | 180.0° | 180.0° |
| CAQ | CAL | CAM | OAP | 68.0° | 60.0° |
| CAQ | CAL | CAM | OAO | 112.1° | 120.0° |
| CAL | CAQ | CAR | CAV | 177.4° | 179.8° |
| CAL | CAQ | CAR | CAS | 177.9° | 180.0° |
| CAL | CAQ | CAV | CAU | 178.4° | 179.8° |
| CAQ | CAL | CAK | HAK1 | 174.6° | 65.0° |
| CAQ | CAL | CAK | HAK2 | 65.4° | 55.1° |
| CAL | CAQ | CAR | HAR | 2.1° | 0.0° |
| CAL | CAQ | CAV | HB | 1.6° | 0.1° |
| OAP | CAM | CAL | HA | 168.3° | 60.0° |
| OAO | CAM | CAL | HA | 11.7° | 120.0° |
| OAO | CAM | OAP | HAP | 0.0° | 0.0° |
| CAQ | CAR | CAS | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.7° | 0.0° |
| CAR | CAQ | CAV | CAU | 1.0° | 0.4° |
| CAR | CAQ | CAL | HA | 18.5° | 0.0° |
| CAR | CAQ | CAV | HB | 179.0° | 179.7° |
| CAQ | CAR | CAS | HC | 179.4° | 180.0° |
| CAV | CAQ | CAR | CAS | 0.5° | 0.2° |
| CAQ | CAV | CAU | CAT | 0.3° | 0.4° |
| CAQ | CAV | CAU | HB | 180.0° | 179.8° |
| CAV | CAQ | CAL | HA | 164.1° | 179.8° |
| CAV | CAQ | CAR | HAR | 179.5° | 179.8° |
| CAQ | CAV | CAU | HAU | 179.7° | 179.7° |
| CAR | CAS | CAT | HC | 180.0° | 180.0° |
| CAR | CAS | CAT | CAU | 1.4° | 0.0° |
| CAR | CAS | CAT | HAT | 178.6° | 180.0° |
| CAS | CAT | CAU | HAT | 180.0° | 180.0° |
| CAS | CAT | CAU | CAV | 0.9° | 0.1° |
| CAT | CAS | CAR | HAR | 179.3° | 180.0° |
| CAS | CAT | CAU | HAU | 179.1° | 179.9° |
| CAT | CAU | CAV | HAU | 180.0° | 179.9° |
| CAT | CAU | CAV | HB | 179.7° | 179.8° |
| CAU | CAT | CAS | HC | 178.6° | 180.0° |
| CAV | CAU | CAT | HAT | 179.1° | 179.8° |
| HAK1 | CAK | CAL | HA | 53.5° | 175.0° |
| HAK2 | CAK | CAL | HA | 173.5° | 65.0° |
| HAR | CAR | CAS | HC | 0.6° | 0.0° |
| HB | CAV | CAU | HAU | 0.3° | 0.1° |
| HC | CAS | CAT | HAT | 1.3° | 0.0° |
| HAT | CAT | CAU | HAU | 0.9° | 0.1° |
