SKB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.40Å | 1.41Å | Aromatic |
| CAC | CAB | sing | 1.40Å | 1.38Å | Aromatic |
| CAB | CAG | sing | 1.47Å | 1.41Å | |
| CAG | CAH | doub | 1.35Å | 1.52Å | |
| CAH | CAI | sing | 1.46Å | 1.50Å | |
| CAI | CAJ | sing | 1.48Å | 1.42Å | |
| CAI | OAP | doub | 1.22Å | 1.22Å | |
| CAK | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAO | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAQ | sing | 1.51Å | 1.49Å | |
| FAR | CAQ | sing | 1.40Å | 1.31Å | |
| FAT | CAQ | sing | 1.40Å | 1.28Å | |
| CAQ | FAS | sing | 1.40Å | 1.33Å | |
| CAO | H1 | sing | 1.08Å | 1.08Å | |
| CAM | H2 | sing | 1.08Å | 1.08Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAD | H10 | sing | 1.08Å | 1.08Å | |
| CAC | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAE | CAD | 119.5° | 120.3° |
| CAE | CAF | CAA | 119.8° | 120.2° |
| CAE | CAF | H8 | 120.1° | 119.9° |
| CAF | CAE | H9 | 120.3° | 119.8° |
| CAE | CAD | CAC | 121.5° | 120.2° |
| CAD | CAE | H9 | 120.2° | 119.8° |
| CAE | CAD | H10 | 119.2° | 119.9° |
| CAF | CAA | CAB | 120.7° | 119.8° |
| CAF | CAA | H7 | 119.7° | 120.1° |
| CAA | CAF | H8 | 120.1° | 119.9° |
| CAD | CAC | CAB | 119.3° | 119.8° |
| CAC | CAD | H10 | 119.3° | 119.9° |
| CAD | CAC | H11 | 120.4° | 120.0° |
| CAA | CAB | CAC | 119.2° | 119.6° |
| CAA | CAB | CAG | 123.0° | 120.2° |
| CAB | CAA | H7 | 119.7° | 120.0° |
| CAC | CAB | CAG | 117.7° | 120.2° |
| CAB | CAC | H11 | 120.4° | 120.1° |
| CAB | CAG | CAH | 120.3° | 120.0° |
| CAB | CAG | H6 | 119.8° | 120.0° |
| CAG | CAH | CAI | 121.9° | 119.9° |
| CAG | CAH | H5 | 119.0° | 120.0° |
| CAH | CAG | H6 | 119.9° | 120.0° |
| CAH | CAI | CAJ | 118.9° | 120.0° |
| CAH | CAI | OAP | 117.7° | 120.1° |
| CAI | CAH | H5 | 119.1° | 120.0° |
| CAJ | CAI | OAP | 123.4° | 120.0° |
| CAI | CAJ | CAK | 122.5° | 120.1° |
| CAI | CAJ | CAO | 120.6° | 120.1° |
| CAJ | CAK | CAL | 121.1° | 119.8° |
| CAK | CAJ | CAO | 116.9° | 119.7° |
| CAJ | CAK | H4 | 119.5° | 120.1° |
| CAK | CAL | CAM | 121.5° | 120.2° |
| CAK | CAL | H3 | 119.2° | 119.9° |
| CAL | CAK | H4 | 119.4° | 120.1° |
| CAJ | CAO | CAN | 121.8° | 119.8° |
| CAJ | CAO | H1 | 119.1° | 120.1° |
| CAL | CAM | CAN | 117.2° | 120.3° |
| CAL | CAM | H2 | 121.4° | 119.8° |
| CAM | CAL | H3 | 119.2° | 120.0° |
| CAO | CAN | CAM | 121.4° | 120.1° |
| CAO | CAN | CAQ | 120.5° | 119.9° |
| CAN | CAO | H1 | 119.1° | 120.1° |
| CAM | CAN | CAQ | 118.0° | 119.9° |
| CAN | CAM | H2 | 121.4° | 119.9° |
| CAN | CAQ | FAR | 108.5° | 109.5° |
| CAN | CAQ | FAT | 108.1° | 109.5° |
| CAN | CAQ | FAS | 112.8° | 109.4° |
| FAR | CAQ | FAT | 108.2° | 109.5° |
| FAR | CAQ | FAS | 108.2° | 109.5° |
| FAT | CAQ | FAS | 111.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAE | CAD | H9 | 180.0° | 180.0° |
| CAE | CAF | CAA | H8 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 1.2° | 0.2° |
| CAE | CAF | CAA | CAB | 3.6° | 0.0° |
| CAE | CAF | CAA | H7 | 176.4° | 180.0° |
| CAF | CAE | CAD | H10 | 178.8° | 179.9° |
| CAD | CAE | CAF | CAA | 0.9° | 0.0° |
| CAE | CAD | CAC | H10 | 180.0° | 179.8° |
| CAE | CAD | CAC | CAB | 0.5° | 0.5° |
| CAD | CAE | CAF | H8 | 179.1° | 180.0° |
| CAE | CAD | CAC | H11 | 179.5° | 180.0° |
| CAF | CAA | CAB | H7 | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 4.2° | 0.2° |
| CAF | CAA | CAB | CAG | 178.7° | 180.0° |
| CAA | CAF | CAE | H9 | 179.1° | 180.0° |
| CAD | CAC | CAB | CAA | 2.1° | 0.5° |
| CAD | CAC | CAB | H11 | 180.0° | 179.5° |
| CAD | CAC | CAB | CAG | 179.3° | 179.8° |
| CAC | CAD | CAE | H9 | 178.8° | 179.8° |
| CAA | CAB | CAC | CAG | 177.2° | 179.7° |
| CAA | CAB | CAG | CAH | 11.2° | 180.0° |
| CAA | CAB | CAG | H6 | 168.8° | 0.0° |
| CAB | CAA | CAF | H8 | 176.5° | 180.0° |
| CAA | CAB | CAC | H11 | 177.9° | 180.0° |
| CAC | CAB | CAG | CAH | 171.7° | 0.3° |
| CAC | CAB | CAG | H6 | 8.3° | 179.7° |
| CAC | CAB | CAA | H7 | 175.8° | 179.7° |
| CAB | CAC | CAD | H10 | 179.5° | 179.7° |
| CAB | CAG | CAH | H6 | 180.0° | 179.9° |
| CAB | CAG | CAH | CAI | 176.6° | 180.0° |
| CAB | CAG | CAH | H5 | 3.4° | 0.1° |
| CAG | CAB | CAA | H7 | 1.3° | 0.0° |
| CAG | CAB | CAC | H11 | 0.7° | 0.3° |
| CAG | CAH | CAI | H5 | 180.0° | 179.9° |
| CAG | CAH | CAI | CAJ | 179.3° | 180.0° |
| CAG | CAH | CAI | OAP | 0.3° | 0.1° |
| CAH | CAI | CAJ | OAP | 179.5° | 179.9° |
| CAH | CAI | CAJ | CAK | 22.2° | 0.1° |
| CAH | CAI | CAJ | CAO | 159.4° | 179.8° |
| CAI | CAH | CAG | H6 | 3.4° | 0.1° |
| CAI | CAJ | CAK | CAO | 178.5° | 179.9° |
| CAI | CAJ | CAK | CAL | 179.1° | 180.0° |
| CAI | CAJ | CAO | CAN | 178.8° | 179.8° |
| CAI | CAJ | CAO | H1 | 1.2° | 0.2° |
| CAI | CAJ | CAK | H4 | 0.9° | 0.1° |
| CAJ | CAI | CAH | H5 | 0.7° | 0.1° |
| OAP | CAI | CAJ | CAK | 157.3° | 180.0° |
| OAP | CAI | CAJ | CAO | 21.1° | 0.1° |
| OAP | CAI | CAH | H5 | 179.7° | 180.0° |
| CAJ | CAK | CAL | H4 | 180.0° | 179.9° |
| CAJ | CAK | CAL | CAM | 0.1° | 0.1° |
| CAK | CAJ | CAO | CAN | 0.2° | 0.1° |
| CAK | CAJ | CAO | H1 | 179.8° | 179.9° |
| CAJ | CAK | CAL | H3 | 179.9° | 179.8° |
| CAL | CAK | CAJ | CAO | 0.6° | 0.1° |
| CAK | CAL | CAM | H3 | 180.0° | 179.9° |
| CAK | CAL | CAM | CAN | 1.2° | 0.0° |
| CAK | CAL | CAM | H2 | 178.8° | 180.0° |
| CAJ | CAO | CAN | H1 | 180.0° | 180.0° |
| CAJ | CAO | CAN | CAM | 0.9° | 0.2° |
| CAJ | CAO | CAN | CAQ | 177.9° | 180.0° |
| CAO | CAJ | CAK | H4 | 179.4° | 180.0° |
| CAL | CAM | CAN | CAO | 1.5° | 0.2° |
| CAL | CAM | CAN | H2 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAQ | 178.6° | 180.0° |
| CAM | CAL | CAK | H4 | 179.9° | 180.0° |
| CAO | CAN | CAM | CAQ | 177.1° | 179.8° |
| CAO | CAN | CAQ | FAR | 125.7° | 90.0° |
| CAO | CAN | CAQ | FAT | 8.6° | 150.0° |
| CAO | CAN | CAQ | FAS | 114.5° | 30.0° |
| CAO | CAN | CAM | H2 | 178.5° | 179.8° |
| CAM | CAN | CAQ | FAR | 51.4° | 90.3° |
| CAM | CAN | CAQ | FAT | 168.5° | 29.7° |
| CAM | CAN | CAQ | FAS | 68.4° | 149.7° |
| CAM | CAN | CAO | H1 | 179.1° | 179.7° |
| CAN | CAM | CAL | H3 | 178.8° | 180.0° |
| CAN | CAQ | FAR | FAT | 117.0° | 120.0° |
| CAN | CAQ | FAR | FAS | 122.7° | 120.0° |
| CAN | CAQ | FAT | FAS | 124.2° | 120.0° |
| CAQ | CAN | CAO | H1 | 2.1° | 0.0° |
| CAQ | CAN | CAM | H2 | 1.4° | 0.1° |
| FAR | CAQ | FAT | FAS | 118.5° | 120.0° |
| H2 | CAM | CAL | H3 | 1.2° | 0.1° |
| H3 | CAL | CAK | H4 | 0.1° | 0.1° |
| H5 | CAH | CAG | H6 | 176.6° | 180.0° |
| H7 | CAA | CAF | H8 | 3.5° | 0.0° |
| H8 | CAF | CAE | H9 | 0.9° | 0.0° |
| H9 | CAE | CAD | H10 | 1.2° | 0.0° |
| H10 | CAD | CAC | H11 | 0.5° | 0.2° |
