6Y0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAL | sing | 1.36Å | 1.36Å | |
| OAD | CAN | sing | 1.36Å | 1.37Å | |
| CAL | CAN | doub | 1.39Å | 1.42Å | Aromatic |
| CAL | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.37Å | 1.40Å | Aromatic |
| CAQ | OAK | sing | 1.35Å | 1.37Å | |
| CAQ | CAP | doub | 1.41Å | 1.43Å | Aromatic |
| OAK | CAO | sing | 1.34Å | 1.36Å | |
| CAF | CAP | sing | 1.40Å | 1.42Å | Aromatic |
| CAP | CAM | sing | 1.46Å | 1.42Å | |
| CAO | OAB | doub | 1.22Å | 1.23Å | |
| CAO | CAG | sing | 1.41Å | 1.41Å | |
| CAG | CAM | doub | 1.36Å | 1.41Å | |
| CAM | CAJ | sing | 1.51Å | 1.43Å | |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAI | CAH | sing | 1.53Å | 1.53Å | |
| CAA | CAH | sing | 1.53Å | 1.55Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAE | H12 | sing | 1.08Å | 1.08Å | |
| OAC | H13 | sing | 0.97Å | 0.95Å | |
| OAD | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAL | CAN | 119.9° | 119.7° |
| OAC | CAL | CAE | 121.1° | 119.8° |
| CAL | OAC | H13 | 109.5° | 114.0° |
| OAD | CAN | CAL | 122.8° | 120.2° |
| OAD | CAN | CAQ | 117.0° | 120.1° |
| CAN | OAD | H14 | 109.5° | 114.0° |
| CAN | CAL | CAE | 119.0° | 120.5° |
| CAL | CAN | CAQ | 120.2° | 119.7° |
| CAL | CAE | CAF | 120.9° | 120.5° |
| CAL | CAE | H12 | 119.6° | 119.8° |
| CAN | CAQ | OAK | 116.0° | 120.8° |
| CAN | CAQ | CAP | 121.6° | 119.4° |
| CAE | CAF | CAP | 121.5° | 119.9° |
| CAE | CAF | H11 | 119.3° | 120.0° |
| CAF | CAE | H12 | 119.5° | 119.8° |
| OAK | CAQ | CAP | 122.4° | 119.8° |
| CAQ | OAK | CAO | 118.8° | 121.5° |
| CAQ | CAP | CAF | 116.8° | 120.0° |
| CAQ | CAP | CAM | 119.3° | 119.0° |
| OAK | CAO | OAB | 120.8° | 119.2° |
| OAK | CAO | CAG | 121.0° | 121.7° |
| CAF | CAP | CAM | 123.9° | 121.0° |
| CAP | CAF | H11 | 119.3° | 120.1° |
| CAP | CAM | CAG | 116.5° | 118.2° |
| CAP | CAM | CAJ | 124.3° | 120.9° |
| OAB | CAO | CAG | 118.1° | 119.1° |
| CAO | CAG | CAM | 121.8° | 119.8° |
| CAO | CAG | H10 | 119.1° | 120.1° |
| CAG | CAM | CAJ | 119.1° | 120.9° |
| CAM | CAG | H10 | 119.1° | 120.1° |
| CAM | CAJ | CAI | 109.7° | 109.5° |
| CAM | CAJ | H8 | 109.4° | 109.4° |
| CAM | CAJ | H9 | 109.4° | 109.4° |
| CAJ | CAI | CAH | 111.1° | 109.5° |
| CAJ | CAI | H6 | 109.1° | 109.5° |
| CAJ | CAI | H7 | 109.1° | 109.5° |
| CAI | CAJ | H8 | 109.4° | 109.5° |
| CAI | CAJ | H9 | 109.4° | 109.4° |
| CAI | CAH | CAA | 110.3° | 109.4° |
| CAI | CAH | H4 | 109.3° | 109.4° |
| CAI | CAH | H5 | 109.2° | 109.5° |
| CAH | CAI | H6 | 109.1° | 109.5° |
| CAH | CAI | H7 | 109.0° | 109.5° |
| CAH | CAA | H1 | 109.5° | 109.5° |
| CAH | CAA | H2 | 109.5° | 109.4° |
| CAH | CAA | H3 | 109.5° | 109.5° |
| CAA | CAH | H4 | 109.2° | 109.5° |
| CAA | CAH | H5 | 109.3° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H6 | CAI | H7 | 109.5° | 109.4° |
| H8 | CAJ | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAL | CAN | OAD | 1.0° | 0.6° |
| OAC | CAL | CAN | CAE | 179.4° | 179.5° |
| OAC | CAL | CAN | CAQ | 179.9° | 179.9° |
| OAC | CAL | CAE | CAF | 179.4° | 179.7° |
| OAC | CAL | CAE | H12 | 0.6° | 0.2° |
| OAD | CAN | CAL | CAQ | 179.1° | 179.4° |
| OAD | CAN | CAL | CAE | 179.6° | 179.9° |
| OAD | CAN | CAQ | OAK | 0.2° | 0.4° |
| OAD | CAN | CAQ | CAP | 179.9° | 180.0° |
| CAN | CAL | CAE | CAF | 0.0° | 0.2° |
| CAL | CAN | CAQ | OAK | 178.9° | 179.8° |
| CAL | CAN | CAQ | CAP | 0.8° | 0.6° |
| CAN | CAL | CAE | H12 | 179.9° | 179.7° |
| CAN | CAL | OAC | H13 | 180.0° | 90.1° |
| CAL | CAN | OAD | H14 | 180.0° | 90.0° |
| CAE | CAL | CAN | CAQ | 0.5° | 0.5° |
| CAL | CAE | CAF | H12 | 180.0° | 179.9° |
| CAL | CAE | CAF | CAP | 0.3° | 0.0° |
| CAL | CAE | CAF | H11 | 179.7° | 179.9° |
| CAE | CAL | OAC | H13 | 0.6° | 89.4° |
| CAN | CAQ | OAK | CAP | 179.7° | 179.7° |
| CAN | CAQ | OAK | CAO | 178.6° | 179.9° |
| CAN | CAQ | CAP | CAF | 0.5° | 0.3° |
| CAN | CAQ | CAP | CAM | 178.5° | 179.8° |
| CAQ | CAN | OAD | H14 | 0.9° | 89.4° |
| CAE | CAF | CAP | CAQ | 0.0° | 0.0° |
| CAE | CAF | CAP | H11 | 180.0° | 179.9° |
| CAE | CAF | CAP | CAM | 178.9° | 179.5° |
| OAK | CAQ | CAP | CAF | 179.2° | 180.0° |
| OAK | CAQ | CAP | CAM | 1.9° | 0.5° |
| CAQ | OAK | CAO | OAB | 177.7° | 180.0° |
| CAQ | OAK | CAO | CAG | 1.6° | 0.0° |
| CAP | CAQ | OAK | CAO | 1.7° | 0.3° |
| CAQ | CAP | CAF | CAM | 178.9° | 179.5° |
| CAQ | CAP | CAM | CAG | 1.2° | 0.5° |
| CAQ | CAP | CAM | CAJ | 177.3° | 179.7° |
| CAQ | CAP | CAF | H11 | 179.9° | 180.0° |
| OAK | CAO | OAB | CAG | 176.1° | 179.9° |
| OAK | CAO | CAG | CAM | 4.9° | 0.0° |
| OAK | CAO | CAG | H10 | 175.1° | 180.0° |
| CAF | CAP | CAM | CAG | 177.7° | 180.0° |
| CAF | CAP | CAM | CAJ | 1.6° | 0.2° |
| CAP | CAF | CAE | H12 | 179.7° | 179.9° |
| CAP | CAM | CAG | CAO | 4.5° | 0.3° |
| CAP | CAM | CAG | CAJ | 176.3° | 179.8° |
| CAP | CAM | CAJ | CAI | 74.1° | 85.2° |
| CAP | CAM | CAJ | H8 | 45.9° | 154.7° |
| CAP | CAM | CAJ | H9 | 165.8° | 34.7° |
| CAP | CAM | CAG | H10 | 175.5° | 179.8° |
| CAM | CAP | CAF | H11 | 1.0° | 0.6° |
| OAB | CAO | CAG | CAM | 179.0° | 180.0° |
| OAB | CAO | CAG | H10 | 1.0° | 0.1° |
| CAO | CAG | CAM | H10 | 180.0° | 179.9° |
| CAO | CAG | CAM | CAJ | 179.2° | 179.9° |
| CAG | CAM | CAJ | CAI | 109.9° | 95.0° |
| CAG | CAM | CAJ | H8 | 130.1° | 25.1° |
| CAG | CAM | CAJ | H9 | 10.2° | 145.0° |
| CAM | CAJ | CAI | H8 | 120.0° | 120.0° |
| CAM | CAJ | CAI | H9 | 120.0° | 120.0° |
| CAM | CAJ | CAI | CAH | 156.1° | 180.0° |
| CAM | CAJ | CAI | H6 | 35.8° | 60.0° |
| CAM | CAJ | CAI | H7 | 83.7° | 60.0° |
| CAM | CAJ | H8 | H9 | 119.9° | 119.9° |
| CAJ | CAM | CAG | H10 | 0.8° | 0.0° |
| CAJ | CAI | CAH | H6 | 120.3° | 120.0° |
| CAJ | CAI | CAH | H7 | 120.2° | 120.0° |
| CAJ | CAI | CAH | CAA | 157.6° | 180.0° |
| CAJ | CAI | CAH | H4 | 37.5° | 60.0° |
| CAJ | CAI | CAH | H5 | 82.2° | 60.0° |
| CAJ | CAI | H6 | H7 | 119.2° | 120.0° |
| CAI | CAJ | H8 | H9 | 119.9° | 120.0° |
| CAI | CAH | CAA | H4 | 120.1° | 119.9° |
| CAI | CAH | CAA | H5 | 120.1° | 120.0° |
| CAI | CAH | CAA | H1 | 180.0° | 60.0° |
| CAI | CAH | CAA | H2 | 60.0° | 60.0° |
| CAI | CAH | CAA | H3 | 60.0° | 180.0° |
| CAI | CAH | H4 | H5 | 119.6° | 120.0° |
| CAH | CAI | H6 | H7 | 119.2° | 120.0° |
| CAH | CAI | CAJ | H8 | 83.9° | 60.0° |
| CAH | CAI | CAJ | H9 | 36.1° | 60.0° |
| CAH | CAA | H1 | H2 | 120.0° | 120.0° |
| CAH | CAA | H1 | H3 | 120.0° | 120.0° |
| CAH | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAH | H4 | H5 | 119.6° | 120.0° |
| CAA | CAH | CAI | H6 | 82.1° | 60.0° |
| CAA | CAH | CAI | H7 | 37.4° | 60.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAH | H4 | 59.9° | 59.9° |
| H1 | CAA | CAH | H5 | 59.9° | 180.0° |
| H2 | CAA | CAH | H4 | 179.9° | 180.0° |
| H2 | CAA | CAH | H5 | 60.1° | 60.0° |
| H3 | CAA | CAH | H4 | 60.1° | 60.0° |
| H3 | CAA | CAH | H5 | 179.9° | 60.0° |
| H4 | CAH | CAI | H6 | 157.8° | 179.9° |
| H4 | CAH | CAI | H7 | 82.7° | 60.0° |
| H5 | CAH | CAI | H6 | 38.0° | 60.0° |
| H5 | CAH | CAI | H7 | 157.5° | 180.0° |
| H6 | CAI | CAJ | H8 | 155.8° | 180.0° |
| H6 | CAI | CAJ | H9 | 84.2° | 60.0° |
| H7 | CAI | CAJ | H8 | 36.3° | 60.0° |
| H7 | CAI | CAJ | H9 | 156.3° | 180.0° |
| H11 | CAF | CAE | H12 | 0.4° | 0.0° |
