0OB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAN | sing | 1.53Å | 1.56Å | |
| CAM | CAU | sing | 1.51Å | 1.55Å | |
| CAN | CAW | sing | 1.51Å | 1.51Å | |
| CAU | OAC | doub | 1.21Å | 1.20Å | |
| CAW | CAK | doub | 1.32Å | 1.30Å | Aromatic |
| CAW | SAS | sing | 1.75Å | 1.58Å | Aromatic |
| CAK | CAX | sing | 1.45Å | 1.33Å | Aromatic |
| SAS | CAY | sing | 1.76Å | 1.54Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.36Å | Aromatic |
| CAX | CAI | sing | 1.41Å | 1.38Å | Aromatic |
| CAY | CAJ | sing | 1.40Å | 1.37Å | Aromatic |
| CAI | CAG | doub | 1.36Å | 1.36Å | Aromatic |
| CAJ | CAH | doub | 1.37Å | 1.38Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.35Å | Aromatic |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å | |
| CAU | O1 | sing | 1.34Å | 23.83Å | |
| O1 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAM | CAU | 115.9° | 109.5° |
| CAM | CAN | CAW | 109.1° | 109.5° |
| CAN | CAM | H2 | 107.8° | 109.5° |
| CAN | CAM | H3 | 107.9° | 109.5° |
| CAM | CAN | H4 | 109.5° | 109.5° |
| CAM | CAN | H5 | 109.6° | 109.5° |
| CAM | CAU | OAC | 121.4° | 120.0° |
| CAU | CAM | H2 | 107.8° | 109.4° |
| CAU | CAM | H3 | 107.8° | 109.5° |
| CAM | CAU | O1 | 111.2° | 120.0° |
| CAN | CAW | CAK | 128.6° | 124.3° |
| CAN | CAW | SAS | 124.9° | 124.2° |
| CAW | CAN | H4 | 109.6° | 109.4° |
| CAW | CAN | H5 | 109.5° | 109.5° |
| OAC | CAU | O1 | 95.0° | 119.9° |
| CAK | CAW | SAS | 106.4° | 111.4° |
| CAW | CAK | CAX | 114.5° | 114.9° |
| CAW | CAK | H6 | 122.8° | 122.6° |
| CAW | SAS | CAY | 100.0° | 92.2° |
| CAK | CAX | CAY | 112.7° | 111.8° |
| CAK | CAX | CAI | 130.2° | 129.3° |
| CAX | CAK | H6 | 122.7° | 122.6° |
| SAS | CAY | CAX | 106.3° | 109.7° |
| SAS | CAY | CAJ | 133.6° | 130.5° |
| CAY | CAX | CAI | 117.1° | 118.8° |
| CAX | CAY | CAJ | 120.1° | 119.8° |
| CAX | CAI | CAG | 122.8° | 120.4° |
| CAX | CAI | H10 | 118.6° | 119.8° |
| CAY | CAJ | CAH | 122.0° | 120.2° |
| CAY | CAJ | H7 | 119.0° | 119.9° |
| CAI | CAG | CAH | 120.0° | 120.6° |
| CAI | CAG | H9 | 120.0° | 119.7° |
| CAG | CAI | H10 | 118.6° | 119.7° |
| CAJ | CAH | CAG | 118.0° | 120.2° |
| CAH | CAJ | H7 | 119.0° | 119.9° |
| CAJ | CAH | H8 | 121.0° | 119.9° |
| CAG | CAH | H8 | 121.0° | 119.9° |
| CAH | CAG | H9 | 120.0° | 119.8° |
| H2 | CAM | H3 | 109.5° | 109.5° |
| H4 | CAN | H5 | 109.5° | 109.5° |
| CAU | O1 | H1 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAM | CAU | H2 | 120.9° | 120.0° |
| CAN | CAM | CAU | H3 | 121.0° | 120.0° |
| CAM | CAN | CAW | H4 | 119.9° | 120.0° |
| CAM | CAN | CAW | H5 | 120.0° | 120.1° |
| CAN | CAM | CAU | OAC | 49.6° | 0.0° |
| CAM | CAN | CAW | CAK | 97.1° | 89.9° |
| CAM | CAN | CAW | SAS | 79.7° | 90.3° |
| CAN | CAM | H2 | H3 | 117.1° | 120.1° |
| CAM | CAN | H4 | H5 | 120.2° | 120.0° |
| CAN | CAM | CAU | O1 | 60.6° | 179.7° |
| CAU | CAM | CAN | CAW | 44.7° | 180.0° |
| CAM | CAU | OAC | O1 | 118.6° | 179.8° |
| CAU | CAM | H2 | H3 | 117.0° | 119.9° |
| CAU | CAM | CAN | H4 | 164.7° | 60.0° |
| CAU | CAM | CAN | H5 | 75.2° | 60.0° |
| CAM | CAU | O1 | H1 | 90.0° | 179.7° |
| CAN | CAW | CAK | SAS | 177.2° | 179.8° |
| CAN | CAW | CAK | CAX | 178.3° | 180.0° |
| CAN | CAW | SAS | CAY | 177.8° | 180.0° |
| CAW | CAN | CAM | H2 | 165.6° | 60.1° |
| CAW | CAN | CAM | H3 | 76.2° | 60.0° |
| CAW | CAN | H4 | H5 | 120.2° | 120.0° |
| CAN | CAW | CAK | H6 | 1.7° | 0.0° |
| OAC | CAU | CAM | H2 | 71.3° | 120.0° |
| OAC | CAU | CAM | H3 | 170.6° | 120.0° |
| OAC | CAU | O1 | H1 | 90.0° | 0.1° |
| CAW | CAK | CAX | H6 | 180.0° | 180.0° |
| CAK | CAW | SAS | CAY | 0.4° | 0.2° |
| CAW | CAK | CAX | CAY | 1.4° | 0.1° |
| CAW | CAK | CAX | CAI | 179.8° | 179.9° |
| CAK | CAW | CAN | H4 | 22.8° | 30.0° |
| CAK | CAW | CAN | H5 | 143.0° | 150.0° |
| SAS | CAW | CAK | CAX | 1.1° | 0.2° |
| CAW | SAS | CAY | CAX | 0.3° | 0.1° |
| CAW | SAS | CAY | CAJ | 179.0° | 180.0° |
| SAS | CAW | CAN | H4 | 160.4° | 149.7° |
| SAS | CAW | CAN | H5 | 40.3° | 29.8° |
| SAS | CAW | CAK | H6 | 178.9° | 179.8° |
| CAK | CAX | CAY | SAS | 1.0° | 0.1° |
| CAK | CAX | CAY | CAI | 179.0° | 179.8° |
| CAK | CAX | CAY | CAJ | 178.4° | 179.9° |
| CAK | CAX | CAI | CAG | 178.9° | 179.7° |
| CAK | CAX | CAI | H10 | 1.1° | 0.0° |
| SAS | CAY | CAX | CAJ | 179.5° | 179.8° |
| SAS | CAY | CAX | CAI | 180.0° | 179.8° |
| SAS | CAY | CAJ | CAH | 179.3° | 180.0° |
| SAS | CAY | CAJ | H7 | 0.7° | 0.1° |
| CAY | CAX | CAI | CAG | 0.1° | 0.5° |
| CAX | CAY | CAJ | CAH | 0.0° | 0.2° |
| CAY | CAX | CAK | H6 | 178.6° | 179.9° |
| CAX | CAY | CAJ | H7 | 180.0° | 179.9° |
| CAY | CAX | CAI | H10 | 179.9° | 179.9° |
| CAI | CAX | CAY | CAJ | 0.5° | 0.1° |
| CAX | CAI | CAG | H10 | 180.0° | 179.6° |
| CAX | CAI | CAG | CAH | 1.4° | 0.7° |
| CAI | CAX | CAK | H6 | 0.3° | 0.1° |
| CAX | CAI | CAG | H9 | 178.6° | 179.7° |
| CAY | CAJ | CAH | H7 | 180.0° | 179.9° |
| CAY | CAJ | CAH | CAG | 1.2° | 0.1° |
| CAY | CAJ | CAH | H8 | 178.8° | 180.0° |
| CAI | CAG | CAH | CAJ | 1.8° | 0.4° |
| CAI | CAG | CAH | H9 | 180.0° | 179.6° |
| CAI | CAG | CAH | H8 | 178.2° | 179.5° |
| CAJ | CAH | CAG | H8 | 180.0° | 179.9° |
| CAJ | CAH | CAG | H9 | 178.2° | 180.0° |
| CAG | CAH | CAJ | H7 | 178.8° | 180.0° |
| CAH | CAG | CAI | H10 | 178.7° | 179.7° |
| H2 | CAM | CAN | H4 | 74.4° | 180.0° |
| H2 | CAM | CAN | H5 | 45.7° | 60.0° |
| H2 | CAM | CAU | O1 | 178.4° | 59.7° |
| H3 | CAM | CAN | H4 | 43.7° | 60.0° |
| H3 | CAM | CAN | H5 | 163.8° | 180.0° |
| H3 | CAM | CAU | O1 | 60.3° | 60.3° |
| H7 | CAJ | CAH | H8 | 1.2° | 0.1° |
| H8 | CAH | CAG | H9 | 1.8° | 0.1° |
| H9 | CAG | CAI | H10 | 1.3° | 0.1° |
