6JP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAD | sing | 1.36Å | 1.39Å | |
| OAT | CAH | doub | 1.21Å | 1.24Å | |
| CAD | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | CAE | sing | 1.47Å | 1.43Å | |
| CAH | CAI | sing | 1.52Å | 1.42Å | |
| CAE | CAF | doub | 1.41Å | 1.42Å | Aromatic |
| CAB | OAV | sing | 1.36Å | 1.36Å | |
| CAB | CAA | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | CAJ | sing | 1.54Å | 1.55Å | |
| CAF | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | OAG | sing | 1.35Å | 1.35Å | |
| CAJ | OAG | sing | 1.43Å | 1.47Å | |
| CAJ | CAK | sing | 1.51Å | 1.42Å | |
| CAK | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.42Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAL | doub | 1.39Å | 1.38Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.42Å | Aromatic |
| CAL | CAP | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | OAQ | sing | 1.36Å | 1.35Å | |
| CAP | OAR | sing | 1.36Å | 1.40Å | |
| OAR | CAS | sing | 1.43Å | 1.45Å | |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| OAU | H3 | sing | 0.97Å | 0.95Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| OAV | H5 | sing | 0.97Å | 0.95Å | |
| CAA | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| OAQ | H9 | sing | 0.97Å | 0.95Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.08Å | 1.08Å | |
| CAN | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAU | CAD | CAC | 122.7° | 120.3° |
| OAU | CAD | CAE | 116.9° | 120.2° |
| CAD | OAU | H3 | 109.5° | 114.0° |
| OAT | CAH | CAE | 119.4° | 121.7° |
| OAT | CAH | CAI | 119.1° | 121.7° |
| CAC | CAD | CAE | 120.4° | 119.5° |
| CAD | CAC | CAB | 121.4° | 120.1° |
| CAD | CAC | H4 | 119.3° | 119.9° |
| CAD | CAE | CAH | 123.3° | 120.7° |
| CAD | CAE | CAF | 116.4° | 120.2° |
| CAC | CAB | OAV | 122.9° | 119.7° |
| CAC | CAB | CAA | 118.9° | 120.7° |
| CAB | CAC | H4 | 119.3° | 120.0° |
| CAE | CAH | CAI | 121.3° | 116.6° |
| CAH | CAE | CAF | 120.3° | 119.1° |
| CAH | CAI | CAJ | 105.5° | 107.2° |
| CAH | CAI | H1 | 110.4° | 109.9° |
| CAH | CAI | H2 | 110.4° | 110.0° |
| CAE | CAF | CAA | 123.5° | 119.3° |
| CAE | CAF | OAG | 117.4° | 120.8° |
| OAV | CAB | CAA | 118.2° | 119.7° |
| CAB | OAV | H5 | 109.5° | 114.0° |
| CAB | CAA | CAF | 119.4° | 120.2° |
| CAB | CAA | H6 | 120.3° | 119.9° |
| CAI | CAJ | OAG | 113.2° | 109.3° |
| CAI | CAJ | CAK | 119.9° | 109.4° |
| CAJ | CAI | H1 | 110.5° | 109.9° |
| CAJ | CAI | H2 | 110.5° | 109.9° |
| CAI | CAJ | H7 | 105.1° | 109.5° |
| CAA | CAF | OAG | 119.0° | 119.9° |
| CAF | CAA | H6 | 120.3° | 119.9° |
| CAF | OAG | CAJ | 121.2° | 118.7° |
| OAG | CAJ | CAK | 105.4° | 109.5° |
| OAG | CAJ | H7 | 105.9° | 109.5° |
| CAJ | CAK | CAN | 123.3° | 119.9° |
| CAJ | CAK | CAM | 117.2° | 119.9° |
| CAK | CAJ | H7 | 106.5° | 109.6° |
| CAN | CAK | CAM | 119.3° | 120.2° |
| CAK | CAN | CAO | 119.6° | 120.1° |
| CAK | CAN | H14 | 120.2° | 120.0° |
| CAK | CAM | CAL | 121.0° | 120.0° |
| CAK | CAM | H8 | 119.5° | 120.0° |
| CAN | CAO | CAP | 121.1° | 120.0° |
| CAN | CAO | H13 | 119.5° | 120.0° |
| CAO | CAN | H14 | 120.2° | 119.9° |
| CAM | CAL | CAP | 120.6° | 119.9° |
| CAM | CAL | OAQ | 120.2° | 120.0° |
| CAL | CAM | H8 | 119.5° | 120.0° |
| CAO | CAP | CAL | 118.3° | 119.9° |
| CAO | CAP | OAR | 125.7° | 120.1° |
| CAP | CAO | H13 | 119.4° | 120.0° |
| CAP | CAL | OAQ | 119.3° | 120.1° |
| CAL | CAP | OAR | 116.0° | 120.1° |
| CAL | OAQ | H9 | 109.5° | 114.0° |
| CAP | OAR | CAS | 123.1° | 117.0° |
| OAR | CAS | H10 | 109.5° | 109.5° |
| OAR | CAS | H11 | 109.5° | 109.5° |
| OAR | CAS | H12 | 109.5° | 109.4° |
| H1 | CAI | H2 | 109.5° | 109.9° |
| H10 | CAS | H11 | 109.5° | 109.5° |
| H10 | CAS | H12 | 109.5° | 109.4° |
| H11 | CAS | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | CAD | CAC | CAE | 178.9° | 180.0° |
| OAU | CAD | CAC | CAB | 179.1° | 179.9° |
| OAU | CAD | CAE | CAH | 0.0° | 0.6° |
| OAU | CAD | CAE | CAF | 179.2° | 179.6° |
| OAU | CAD | CAC | H4 | 0.9° | 0.1° |
| OAT | CAH | CAE | CAD | 17.3° | 12.2° |
| OAT | CAH | CAE | CAI | 175.7° | 180.0° |
| OAT | CAH | CAE | CAF | 163.6° | 167.6° |
| OAT | CAH | CAI | CAJ | 140.5° | 139.8° |
| OAT | CAH | CAI | H1 | 21.2° | 20.3° |
| OAT | CAH | CAI | H2 | 100.1° | 100.7° |
| CAD | CAC | CAB | H4 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAH | 178.9° | 179.4° |
| CAC | CAD | CAE | CAF | 0.2° | 0.4° |
| CAD | CAC | CAB | OAV | 178.9° | 179.8° |
| CAD | CAC | CAB | CAA | 0.5° | 0.2° |
| CAC | CAD | OAU | H3 | 173.8° | 90.0° |
| CAE | CAD | CAC | CAB | 0.2° | 0.1° |
| CAD | CAE | CAH | CAF | 179.1° | 179.8° |
| CAD | CAE | CAH | CAI | 158.4° | 167.9° |
| CAD | CAE | CAF | CAA | 0.6° | 0.5° |
| CAD | CAE | CAF | OAG | 178.5° | 179.2° |
| CAE | CAD | OAU | H3 | 7.3° | 90.0° |
| CAE | CAD | CAC | H4 | 179.8° | 180.0° |
| CAC | CAB | OAV | CAA | 178.5° | 180.0° |
| CAC | CAB | CAA | CAF | 0.8° | 0.1° |
| CAC | CAB | OAV | H5 | 180.0° | 90.0° |
| CAC | CAB | CAA | H6 | 179.2° | 180.0° |
| CAE | CAH | CAI | CAJ | 43.8° | 40.2° |
| CAH | CAE | CAF | CAA | 178.6° | 179.3° |
| CAH | CAE | CAF | OAG | 0.7° | 1.0° |
| CAE | CAH | CAI | H1 | 163.1° | 159.6° |
| CAE | CAH | CAI | H2 | 75.6° | 79.3° |
| CAI | CAH | CAE | CAF | 20.7° | 12.3° |
| CAH | CAI | CAJ | H1 | 119.4° | 119.4° |
| CAH | CAI | CAJ | H2 | 119.4° | 119.5° |
| CAH | CAI | CAJ | OAG | 50.3° | 58.7° |
| CAH | CAI | CAJ | CAK | 175.7° | 178.6° |
| CAH | CAI | H1 | H2 | 121.8° | 121.1° |
| CAH | CAI | CAJ | H7 | 64.7° | 61.3° |
| CAE | CAF | CAA | CAB | 0.9° | 0.3° |
| CAE | CAF | CAA | OAG | 177.9° | 179.6° |
| CAE | CAF | OAG | CAJ | 11.0° | 22.7° |
| CAE | CAF | CAA | H6 | 179.1° | 179.7° |
| OAV | CAB | CAA | CAF | 179.3° | 179.9° |
| OAV | CAB | CAC | H4 | 1.0° | 0.2° |
| OAV | CAB | CAA | H6 | 0.6° | 0.0° |
| CAB | CAA | CAF | H6 | 180.0° | 180.0° |
| CAB | CAA | CAF | OAG | 178.8° | 179.4° |
| CAA | CAB | CAC | H4 | 179.5° | 179.8° |
| CAA | CAB | OAV | H5 | 1.5° | 90.0° |
| CAI | CAJ | OAG | CAF | 37.5° | 52.6° |
| CAI | CAJ | OAG | CAK | 132.9° | 119.9° |
| CAI | CAJ | OAG | H7 | 114.5° | 119.9° |
| CAI | CAJ | CAK | H7 | 118.8° | 120.0° |
| CAI | CAJ | CAK | CAN | 38.7° | 85.0° |
| CAI | CAJ | CAK | CAM | 147.1° | 94.8° |
| CAJ | CAI | H1 | H2 | 121.8° | 121.1° |
| CAA | CAF | OAG | CAJ | 171.0° | 157.7° |
| CAF | OAG | CAJ | CAK | 170.4° | 172.5° |
| OAG | CAF | CAA | H6 | 1.2° | 0.6° |
| CAF | OAG | CAJ | H7 | 77.0° | 67.3° |
| OAG | CAJ | CAK | H7 | 112.2° | 120.1° |
| OAG | CAJ | CAK | CAN | 167.7° | 34.8° |
| OAG | CAJ | CAK | CAM | 18.1° | 145.4° |
| OAG | CAJ | CAI | H1 | 169.7° | 178.1° |
| OAG | CAJ | CAI | H2 | 69.1° | 60.8° |
| CAJ | CAK | CAN | CAM | 174.1° | 179.8° |
| CAJ | CAK | CAN | CAO | 176.4° | 179.7° |
| CAJ | CAK | CAM | CAL | 177.7° | 180.0° |
| CAK | CAJ | CAI | H1 | 64.9° | 62.0° |
| CAK | CAJ | CAI | H2 | 56.3° | 59.1° |
| CAJ | CAK | CAM | H8 | 2.3° | 0.1° |
| CAJ | CAK | CAN | H14 | 3.5° | 0.1° |
| CAK | CAN | CAO | H14 | 180.0° | 179.8° |
| CAN | CAK | CAM | CAL | 3.2° | 0.2° |
| CAK | CAN | CAO | CAP | 0.4° | 0.5° |
| CAN | CAK | CAJ | H7 | 80.1° | 154.9° |
| CAN | CAK | CAM | H8 | 176.8° | 179.8° |
| CAK | CAN | CAO | H13 | 179.6° | 179.8° |
| CAM | CAK | CAN | CAO | 2.3° | 0.4° |
| CAK | CAM | CAL | H8 | 180.0° | 180.0° |
| CAK | CAM | CAL | CAP | 2.2° | 0.1° |
| CAK | CAM | CAL | OAQ | 176.3° | 179.9° |
| CAM | CAK | CAJ | H7 | 94.1° | 25.2° |
| CAM | CAK | CAN | H14 | 177.7° | 179.8° |
| CAN | CAO | CAP | H13 | 180.0° | 179.8° |
| CAN | CAO | CAP | CAL | 0.6° | 0.2° |
| CAN | CAO | CAP | OAR | 178.4° | 179.7° |
| CAM | CAL | CAP | CAO | 0.2° | 0.0° |
| CAM | CAL | CAP | OAQ | 178.5° | 180.0° |
| CAM | CAL | CAP | OAR | 179.4° | 180.0° |
| CAM | CAL | OAQ | H9 | 180.0° | 90.0° |
| CAO | CAP | CAL | OAR | 179.1° | 179.9° |
| CAO | CAP | CAL | OAQ | 178.2° | 179.9° |
| CAO | CAP | OAR | CAS | 13.2° | 0.0° |
| CAP | CAO | CAN | H14 | 179.5° | 179.8° |
| CAL | CAP | OAR | CAS | 165.8° | 180.0° |
| CAP | CAL | CAM | H8 | 177.8° | 180.0° |
| CAP | CAL | OAQ | H9 | 1.5° | 90.0° |
| CAL | CAP | CAO | H13 | 179.4° | 180.0° |
| OAQ | CAL | CAP | OAR | 0.9° | 0.0° |
| OAQ | CAL | CAM | H8 | 3.7° | 0.0° |
| CAP | OAR | CAS | H10 | 180.0° | 180.0° |
| CAP | OAR | CAS | H11 | 60.0° | 60.0° |
| CAP | OAR | CAS | H12 | 60.0° | 60.0° |
| OAR | CAP | CAO | H13 | 1.6° | 0.1° |
| OAR | CAS | H10 | H11 | 120.0° | 120.1° |
| OAR | CAS | H10 | H12 | 120.0° | 119.9° |
| OAR | CAS | H11 | H12 | 120.0° | 120.0° |
| H1 | CAI | CAJ | H7 | 54.6° | 58.1° |
| H2 | CAI | CAJ | H7 | 175.9° | 179.2° |
| H10 | CAS | H11 | H12 | 120.0° | 120.0° |
| H13 | CAO | CAN | H14 | 0.5° | 0.0° |






