53O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | NAO | sing | 1.34Å | 1.33Å | Aromatic |
| CAD | CAK | doub | 1.35Å | 1.34Å | Aromatic |
| NAO | CAL | doub | 1.31Å | 1.34Å | Aromatic |
| CAK | NBC | sing | 1.37Å | 1.33Å | Aromatic |
| CAL | NBC | sing | 1.36Å | 1.34Å | Aromatic |
| NBC | CAY | sing | 1.40Å | 1.34Å | |
| CAV | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAX | sing | 1.39Å | 1.38Å | Aromatic |
| CAY | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAX | sing | 1.48Å | 1.38Å | |
| CAW | CAG | doub | 1.39Å | 1.38Å | Aromatic |
| CAX | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAV | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAO | CAD | CAK | 107.3° | 108.2° |
| CAD | NAO | CAL | 108.0° | 109.4° |
| NAO | CAD | H2 | 126.4° | 125.9° |
| CAD | CAK | NBC | 109.3° | 106.8° |
| CAD | CAK | H1 | 125.3° | 126.6° |
| CAK | CAD | H2 | 126.3° | 125.9° |
| NAO | CAL | NBC | 108.4° | 108.5° |
| NAO | CAL | H3 | 125.8° | 125.8° |
| CAK | NBC | CAL | 106.8° | 107.0° |
| CAK | NBC | CAY | 122.5° | 126.5° |
| NBC | CAK | H1 | 125.3° | 126.6° |
| CAL | NBC | CAY | 130.3° | 126.5° |
| NBC | CAL | H3 | 125.8° | 125.7° |
| NBC | CAY | CAN | 116.3° | 120.0° |
| NBC | CAY | CAI | 124.6° | 120.0° |
| CAM | CAV | CAF | 118.1° | 120.1° |
| CAV | CAM | CAW | 122.0° | 119.9° |
| CAV | CAM | H8 | 119.0° | 120.0° |
| CAM | CAV | H12 | 121.0° | 119.9° |
| CAV | CAF | CAB | 120.1° | 120.2° |
| CAV | CAF | H11 | 120.0° | 119.9° |
| CAF | CAV | H12 | 121.0° | 120.0° |
| CAM | CAW | CAX | 118.0° | 120.1° |
| CAM | CAW | CAG | 120.1° | 119.7° |
| CAW | CAM | H8 | 119.0° | 120.1° |
| CAY | CAN | CAX | 120.9° | 119.8° |
| CAN | CAY | CAI | 119.0° | 120.0° |
| CAY | CAN | H4 | 119.6° | 120.1° |
| CAN | CAX | CAW | 116.2° | 120.1° |
| CAN | CAX | CAH | 120.3° | 119.8° |
| CAX | CAN | H4 | 119.5° | 120.1° |
| CAY | CAI | CAC | 120.6° | 120.2° |
| CAY | CAI | H5 | 119.7° | 119.9° |
| CAF | CAB | CAG | 121.5° | 120.1° |
| CAF | CAB | H10 | 119.2° | 119.9° |
| CAB | CAF | H11 | 120.0° | 119.9° |
| CAX | CAW | CAG | 121.7° | 120.1° |
| CAW | CAX | CAH | 123.3° | 120.1° |
| CAW | CAG | CAB | 118.1° | 119.9° |
| CAW | CAG | H9 | 120.9° | 120.0° |
| CAX | CAH | CAC | 119.4° | 120.0° |
| CAX | CAH | H7 | 120.3° | 120.0° |
| CAI | CAC | CAH | 119.7° | 120.2° |
| CAC | CAI | H5 | 119.7° | 119.9° |
| CAI | CAC | H6 | 120.2° | 119.9° |
| CAB | CAG | H9 | 121.0° | 120.1° |
| CAG | CAB | H10 | 119.3° | 120.0° |
| CAH | CAC | H6 | 120.2° | 119.9° |
| CAC | CAH | H7 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAO | CAD | CAK | H2 | 180.0° | 179.9° |
| NAO | CAD | CAK | NBC | 2.1° | 0.0° |
| CAD | NAO | CAL | NBC | 1.3° | 0.1° |
| NAO | CAD | CAK | H1 | 177.9° | 179.7° |
| CAD | NAO | CAL | H3 | 178.7° | 180.0° |
| CAK | CAD | NAO | CAL | 0.5° | 0.1° |
| CAD | CAK | NBC | H1 | 180.0° | 179.7° |
| CAD | CAK | NBC | CAL | 2.8° | 0.0° |
| CAD | CAK | NBC | CAY | 177.0° | 179.7° |
| NAO | CAL | NBC | CAK | 2.5° | 0.0° |
| NAO | CAL | NBC | H3 | 180.0° | 179.9° |
| NAO | CAL | NBC | CAY | 176.1° | 179.8° |
| CAL | NAO | CAD | H2 | 179.6° | 179.9° |
| CAK | NBC | CAL | CAY | 173.6° | 179.7° |
| CAK | NBC | CAY | CAN | 4.2° | 179.7° |
| CAK | NBC | CAY | CAI | 179.9° | 0.0° |
| NBC | CAK | CAD | H2 | 178.0° | 179.9° |
| CAK | NBC | CAL | H3 | 177.4° | 180.0° |
| CAL | NBC | CAY | CAN | 168.5° | 0.1° |
| CAL | NBC | CAY | CAI | 7.4° | 179.7° |
| CAL | NBC | CAK | H1 | 177.2° | 179.7° |
| NBC | CAY | CAN | CAI | 176.1° | 179.8° |
| NBC | CAY | CAN | CAX | 175.0° | 180.0° |
| NBC | CAY | CAI | CAC | 177.2° | 180.0° |
| CAY | NBC | CAK | H1 | 3.0° | 0.0° |
| CAY | NBC | CAL | H3 | 3.9° | 0.3° |
| NBC | CAY | CAN | H4 | 5.0° | 0.0° |
| NBC | CAY | CAI | H5 | 2.8° | 0.1° |
| CAM | CAV | CAF | H12 | 180.0° | 179.9° |
| CAV | CAM | CAW | H8 | 180.0° | 180.0° |
| CAM | CAV | CAF | CAB | 0.0° | 0.1° |
| CAV | CAM | CAW | CAX | 178.2° | 180.0° |
| CAV | CAM | CAW | CAG | 2.2° | 0.3° |
| CAM | CAV | CAF | H11 | 179.9° | 179.9° |
| CAF | CAV | CAM | CAW | 0.3° | 0.1° |
| CAV | CAF | CAB | H11 | 180.0° | 179.8° |
| CAV | CAF | CAB | CAG | 1.7° | 0.1° |
| CAF | CAV | CAM | H8 | 179.7° | 179.9° |
| CAV | CAF | CAB | H10 | 178.3° | 179.7° |
| CAM | CAW | CAX | CAN | 11.1° | 0.3° |
| CAM | CAW | CAX | CAG | 176.0° | 179.7° |
| CAM | CAW | CAX | CAH | 164.1° | 179.7° |
| CAM | CAW | CAG | CAB | 3.7° | 0.3° |
| CAM | CAW | CAG | H9 | 176.3° | 179.7° |
| CAW | CAM | CAV | H12 | 179.7° | 180.0° |
| CAY | CAN | CAX | H4 | 180.0° | 180.0° |
| CAY | CAN | CAX | CAW | 179.1° | 180.0° |
| CAY | CAN | CAX | CAH | 3.7° | 0.0° |
| CAN | CAY | CAI | CAC | 1.4° | 0.2° |
| CAN | CAY | CAI | H5 | 178.6° | 179.7° |
| CAX | CAN | CAY | CAI | 1.2° | 0.2° |
| CAN | CAX | CAW | CAH | 175.2° | 180.0° |
| CAN | CAX | CAW | CAG | 172.9° | 180.0° |
| CAN | CAX | CAH | CAC | 3.7° | 0.3° |
| CAN | CAX | CAH | H7 | 176.3° | 180.0° |
| CAY | CAI | CAC | H5 | 180.0° | 179.9° |
| CAY | CAI | CAC | CAH | 1.3° | 0.1° |
| CAI | CAY | CAN | H4 | 178.8° | 179.8° |
| CAY | CAI | CAC | H6 | 178.6° | 180.0° |
| CAF | CAB | CAG | CAW | 3.5° | 0.1° |
| CAF | CAB | CAG | H10 | 180.0° | 179.9° |
| CAF | CAB | CAG | H9 | 176.5° | 180.0° |
| CAB | CAF | CAV | H12 | 180.0° | 179.7° |
| CAX | CAW | CAG | CAB | 179.6° | 180.0° |
| CAW | CAX | CAH | CAC | 178.7° | 179.7° |
| CAW | CAX | CAN | H4 | 0.9° | 0.0° |
| CAW | CAX | CAH | H7 | 1.3° | 0.1° |
| CAX | CAW | CAM | H8 | 1.8° | 0.0° |
| CAX | CAW | CAG | H9 | 0.4° | 0.0° |
| CAG | CAW | CAX | CAH | 11.9° | 0.0° |
| CAW | CAG | CAB | H9 | 180.0° | 180.0° |
| CAG | CAW | CAM | H8 | 177.8° | 179.7° |
| CAW | CAG | CAB | H10 | 176.5° | 180.0° |
| CAX | CAH | CAC | CAI | 1.2° | 0.3° |
| CAX | CAH | CAC | H7 | 180.0° | 179.7° |
| CAH | CAX | CAN | H4 | 176.3° | 179.9° |
| CAX | CAH | CAC | H6 | 178.8° | 179.7° |
| CAI | CAC | CAH | H6 | 180.0° | 180.0° |
| CAI | CAC | CAH | H7 | 178.8° | 180.0° |
| CAG | CAB | CAF | H11 | 178.3° | 179.9° |
| CAH | CAC | CAI | H5 | 178.6° | 180.0° |
| H1 | CAK | CAD | H2 | 2.1° | 0.4° |
| H5 | CAI | CAC | H6 | 1.4° | 0.0° |
| H6 | CAC | CAH | H7 | 1.2° | 0.0° |
| H8 | CAM | CAV | H12 | 0.3° | 0.1° |
| H9 | CAG | CAB | H10 | 3.6° | 0.1° |
| H10 | CAB | CAF | H11 | 1.8° | 0.0° |
| H11 | CAF | CAV | H12 | 0.1° | 0.1° |
