8KP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAR | CAQ | trip | 1.14Å | 1.19Å | |
| CAP | CAM | sing | 1.51Å | 1.40Å | |
| CAQ | CAN | sing | 1.43Å | 1.46Å | |
| CAM | CAN | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.40Å | 1.40Å | Aromatic |
| CAW | CAB | sing | 1.51Å | 1.40Å | |
| CAL | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAS | sing | 1.51Å | 1.40Å | |
| CAO | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAS | CAT | sing | 1.53Å | 1.52Å | |
| CAB | CAA | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | NAI | sing | 1.39Å | 1.35Å | |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| NAI | SAH | sing | 1.66Å | 1.70Å | |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.51Å | 1.40Å | |
| CAG | SAH | sing | 1.81Å | 1.84Å | |
| SAH | OAU | doub | 1.42Å | 1.52Å | |
| SAH | OAV | doub | 1.42Å | 1.53Å | |
| CAT | H1 | sing | 1.09Å | 1.10Å | |
| CAT | H2 | sing | 1.09Å | 1.10Å | |
| CAT | H3 | sing | 1.09Å | 1.10Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| NAI | H11 | sing | 0.97Å | 1.00Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| CAD | H14 | sing | 1.08Å | 1.08Å | |
| CAC | H15 | sing | 1.08Å | 1.08Å | |
| CAW | H16 | sing | 1.09Å | 1.10Å | |
| CAW | H17 | sing | 1.09Å | 1.10Å | |
| CAW | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.08Å | 1.08Å | |
| CAF | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAR | CAQ | CAN | 179.7° | 179.9° |
| CAP | CAM | CAN | 120.6° | 120.0° |
| CAP | CAM | CAL | 119.6° | 120.1° |
| CAM | CAP | H7 | 109.5° | 109.5° |
| CAM | CAP | H8 | 109.5° | 109.5° |
| CAM | CAP | H9 | 109.5° | 109.4° |
| CAQ | CAN | CAM | 120.3° | 120.0° |
| CAQ | CAN | CAO | 119.9° | 120.1° |
| CAN | CAM | CAL | 119.8° | 119.9° |
| CAM | CAN | CAO | 119.8° | 119.9° |
| CAM | CAL | CAJ | 121.5° | 120.1° |
| CAM | CAL | H10 | 119.3° | 119.9° |
| CAN | CAO | CAS | 119.1° | 120.0° |
| CAN | CAO | CAK | 119.9° | 119.9° |
| CAW | CAB | CAC | 121.2° | 120.0° |
| CAW | CAB | CAA | 119.1° | 119.9° |
| CAB | CAW | H16 | 109.5° | 109.5° |
| CAB | CAW | H17 | 109.4° | 109.5° |
| CAB | CAW | H18 | 109.4° | 109.4° |
| CAL | CAJ | CAK | 118.4° | 120.1° |
| CAL | CAJ | NAI | 117.1° | 119.9° |
| CAJ | CAL | H10 | 119.3° | 120.0° |
| CAB | CAC | CAD | 119.8° | 120.0° |
| CAC | CAB | CAA | 119.7° | 120.0° |
| CAB | CAC | H15 | 120.1° | 120.0° |
| CAC | CAD | CAE | 120.3° | 120.0° |
| CAC | CAD | H14 | 119.8° | 120.0° |
| CAD | CAC | H15 | 120.1° | 120.0° |
| CAS | CAO | CAK | 121.0° | 120.1° |
| CAO | CAS | CAT | 110.6° | 109.4° |
| CAO | CAS | H4 | 109.2° | 109.5° |
| CAO | CAS | H5 | 109.2° | 109.5° |
| CAO | CAK | CAJ | 120.6° | 120.1° |
| CAO | CAK | H6 | 119.7° | 119.9° |
| CAS | CAT | H1 | 109.5° | 109.5° |
| CAS | CAT | H2 | 109.5° | 109.5° |
| CAS | CAT | H3 | 109.5° | 109.5° |
| CAT | CAS | H4 | 109.2° | 109.5° |
| CAT | CAS | H5 | 109.2° | 109.4° |
| CAB | CAA | CAF | 120.6° | 119.9° |
| CAB | CAA | H19 | 119.7° | 120.1° |
| CAD | CAE | CAF | 119.5° | 120.0° |
| CAD | CAE | CAG | 120.8° | 120.0° |
| CAE | CAD | H14 | 119.8° | 120.0° |
| CAK | CAJ | NAI | 124.5° | 120.0° |
| CAJ | CAK | H6 | 119.7° | 119.9° |
| CAJ | NAI | SAH | 123.5° | 120.0° |
| CAJ | NAI | H11 | 105.9° | 120.0° |
| CAA | CAF | CAE | 120.1° | 120.0° |
| CAF | CAA | H19 | 119.7° | 120.0° |
| CAA | CAF | H20 | 119.9° | 120.0° |
| NAI | SAH | CAG | 109.5° | 104.5° |
| NAI | SAH | OAU | 111.1° | 104.3° |
| NAI | SAH | OAV | 108.5° | 104.3° |
| SAH | NAI | H11 | 105.8° | 119.9° |
| CAF | CAE | CAG | 119.8° | 120.0° |
| CAE | CAF | H20 | 120.0° | 120.0° |
| CAE | CAG | SAH | 110.7° | 109.5° |
| CAE | CAG | H12 | 109.2° | 109.5° |
| CAE | CAG | H13 | 109.2° | 109.5° |
| CAG | SAH | OAU | 108.9° | 110.5° |
| CAG | SAH | OAV | 108.5° | 110.5° |
| SAH | CAG | H12 | 109.2° | 109.5° |
| SAH | CAG | H13 | 109.2° | 109.5° |
| OAU | SAH | OAV | 110.2° | 121.0° |
| H1 | CAT | H2 | 109.5° | 109.4° |
| H1 | CAT | H3 | 109.5° | 109.4° |
| H2 | CAT | H3 | 109.5° | 109.5° |
| H4 | CAS | H5 | 109.5° | 109.5° |
| H7 | CAP | H8 | 109.5° | 109.5° |
| H7 | CAP | H9 | 109.5° | 109.5° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H12 | CAG | H13 | 109.4° | 109.4° |
| H16 | CAW | H17 | 109.4° | 109.5° |
| H16 | CAW | H18 | 109.5° | 109.5° |
| H17 | CAW | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAR | CAQ | CAN | CAM | 110.6° | 163.1° |
| NAR | CAQ | CAN | CAO | 69.7° | 16.9° |
| CAP | CAM | CAN | CAQ | 0.4° | 0.0° |
| CAP | CAM | CAN | CAL | 179.9° | 180.0° |
| CAP | CAM | CAN | CAO | 179.9° | 180.0° |
| CAP | CAM | CAL | CAJ | 180.0° | 179.7° |
| CAM | CAP | H7 | H8 | 120.0° | 120.0° |
| CAM | CAP | H7 | H9 | 120.0° | 119.9° |
| CAM | CAP | H8 | H9 | 120.0° | 120.0° |
| CAP | CAM | CAL | H10 | 0.0° | 0.0° |
| CAQ | CAN | CAM | CAO | 179.6° | 180.0° |
| CAQ | CAN | CAM | CAL | 179.7° | 180.0° |
| CAQ | CAN | CAO | CAS | 0.7° | 0.0° |
| CAQ | CAN | CAO | CAK | 179.7° | 179.8° |
| CAN | CAM | CAL | CAJ | 0.1° | 0.3° |
| CAM | CAN | CAO | CAS | 179.0° | 179.9° |
| CAM | CAN | CAO | CAK | 0.0° | 0.3° |
| CAN | CAM | CAP | H7 | 90.0° | 90.0° |
| CAN | CAM | CAP | H8 | 150.0° | 150.0° |
| CAN | CAM | CAP | H9 | 30.0° | 30.0° |
| CAN | CAM | CAL | H10 | 179.9° | 179.9° |
| CAL | CAM | CAN | CAO | 0.0° | 0.0° |
| CAM | CAL | CAJ | H10 | 180.0° | 179.7° |
| CAM | CAL | CAJ | CAK | 0.2° | 0.3° |
| CAM | CAL | CAJ | NAI | 179.4° | 180.0° |
| CAL | CAM | CAP | H7 | 90.1° | 90.0° |
| CAL | CAM | CAP | H8 | 29.9° | 30.0° |
| CAL | CAM | CAP | H9 | 149.9° | 150.0° |
| CAN | CAO | CAS | CAK | 179.0° | 179.8° |
| CAN | CAO | CAS | CAT | 86.0° | 84.8° |
| CAN | CAO | CAK | CAJ | 0.1° | 0.3° |
| CAN | CAO | CAS | H4 | 153.8° | 35.2° |
| CAN | CAO | CAS | H5 | 34.1° | 155.3° |
| CAN | CAO | CAK | H6 | 179.9° | 179.8° |
| CAW | CAB | CAC | CAA | 179.7° | 179.9° |
| CAW | CAB | CAC | CAD | 179.9° | 180.0° |
| CAW | CAB | CAA | CAF | 179.9° | 180.0° |
| CAW | CAB | CAC | H15 | 0.1° | 0.1° |
| CAB | CAW | H16 | H17 | 120.0° | 120.0° |
| CAB | CAW | H16 | H18 | 120.0° | 119.9° |
| CAB | CAW | H17 | H18 | 120.0° | 119.9° |
| CAW | CAB | CAA | H19 | 0.1° | 0.0° |
| CAL | CAJ | CAK | CAO | 0.2° | 0.0° |
| CAL | CAJ | CAK | NAI | 179.0° | 179.7° |
| CAL | CAJ | NAI | SAH | 146.7° | 45.0° |
| CAL | CAJ | CAK | H6 | 179.8° | 179.9° |
| CAL | CAJ | NAI | H11 | 91.4° | 135.0° |
| CAB | CAC | CAD | H15 | 180.0° | 179.9° |
| CAB | CAC | CAD | CAE | 0.8° | 0.0° |
| CAC | CAB | CAA | CAF | 0.2° | 0.1° |
| CAB | CAC | CAD | H14 | 179.2° | 180.0° |
| CAC | CAB | CAW | H16 | 89.9° | 89.9° |
| CAC | CAB | CAW | H17 | 150.1° | 150.0° |
| CAC | CAB | CAW | H18 | 30.1° | 30.0° |
| CAC | CAB | CAA | H19 | 179.8° | 179.9° |
| CAD | CAC | CAB | CAA | 0.4° | 0.1° |
| CAC | CAD | CAE | H14 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 1.1° | 0.1° |
| CAC | CAD | CAE | CAG | 180.0° | 179.7° |
| CAO | CAS | CAT | H4 | 120.2° | 120.0° |
| CAO | CAS | CAT | H5 | 120.2° | 119.9° |
| CAS | CAO | CAK | CAJ | 178.8° | 180.0° |
| CAO | CAS | CAT | H1 | 180.0° | 180.0° |
| CAO | CAS | CAT | H2 | 60.0° | 60.1° |
| CAO | CAS | CAT | H3 | 60.0° | 60.0° |
| CAO | CAS | H4 | H5 | 119.5° | 120.1° |
| CAS | CAO | CAK | H6 | 1.1° | 0.0° |
| CAK | CAO | CAS | CAT | 95.0° | 95.0° |
| CAO | CAK | CAJ | H6 | 180.0° | 180.0° |
| CAO | CAK | CAJ | NAI | 179.3° | 179.7° |
| CAK | CAO | CAS | H4 | 25.2° | 145.0° |
| CAK | CAO | CAS | H5 | 144.8° | 24.9° |
| CAS | CAT | H1 | H2 | 120.0° | 120.0° |
| CAS | CAT | H1 | H3 | 120.0° | 120.0° |
| CAS | CAT | H2 | H3 | 120.0° | 120.1° |
| CAT | CAS | H4 | H5 | 119.5° | 120.0° |
| CAB | CAA | CAF | H19 | 180.0° | 180.0° |
| CAB | CAA | CAF | CAE | 0.5° | 0.0° |
| CAA | CAB | CAC | H15 | 179.6° | 180.0° |
| CAA | CAB | CAW | H16 | 89.8° | 89.9° |
| CAA | CAB | CAW | H17 | 30.1° | 30.1° |
| CAA | CAB | CAW | H18 | 150.1° | 150.1° |
| CAB | CAA | CAF | H20 | 179.5° | 179.9° |
| CAD | CAE | CAF | CAA | 0.9° | 0.1° |
| CAD | CAE | CAF | CAG | 178.9° | 179.6° |
| CAD | CAE | CAG | SAH | 92.1° | 89.7° |
| CAD | CAE | CAG | H12 | 28.1° | 150.3° |
| CAD | CAE | CAG | H13 | 147.7° | 30.3° |
| CAE | CAD | CAC | H15 | 179.1° | 179.9° |
| CAD | CAE | CAF | H20 | 179.1° | 179.8° |
| CAK | CAJ | NAI | SAH | 34.2° | 134.7° |
| CAK | CAJ | CAL | H10 | 179.8° | 180.0° |
| CAK | CAJ | NAI | H11 | 87.7° | 45.2° |
| CAJ | NAI | SAH | H11 | 121.9° | 179.9° |
| CAJ | NAI | SAH | CAG | 74.8° | 64.9° |
| CAJ | NAI | SAH | OAU | 45.5° | 178.9° |
| CAJ | NAI | SAH | OAV | 166.9° | 51.1° |
| NAI | CAJ | CAK | H6 | 0.8° | 0.2° |
| NAI | CAJ | CAL | H10 | 0.7° | 0.3° |
| CAA | CAF | CAE | H20 | 180.0° | 179.8° |
| CAA | CAF | CAE | CAG | 179.8° | 179.7° |
| NAI | SAH | CAG | CAE | 61.8° | 180.0° |
| NAI | SAH | CAG | OAU | 121.7° | 111.7° |
| NAI | SAH | CAG | OAV | 118.3° | 111.6° |
| NAI | SAH | OAU | OAV | 120.4° | 116.7° |
| NAI | SAH | CAG | H12 | 58.4° | 59.9° |
| NAI | SAH | CAG | H13 | 178.0° | 60.0° |
| CAF | CAE | CAG | SAH | 89.0° | 89.9° |
| CAF | CAE | CAG | H12 | 150.8° | 30.1° |
| CAF | CAE | CAG | H13 | 31.2° | 150.0° |
| CAF | CAE | CAD | H14 | 178.9° | 179.9° |
| CAE | CAF | CAA | H19 | 179.5° | 180.0° |
| CAE | CAG | SAH | H12 | 120.2° | 120.0° |
| CAE | CAG | SAH | H13 | 120.2° | 120.0° |
| CAE | CAG | SAH | OAU | 59.9° | 68.3° |
| CAE | CAG | SAH | OAV | 179.9° | 68.3° |
| CAE | CAG | H12 | H13 | 119.5° | 120.0° |
| CAG | CAE | CAD | H14 | 0.0° | 0.3° |
| CAG | CAE | CAF | H20 | 0.2° | 0.2° |
| CAG | SAH | OAU | OAV | 119.0° | 131.4° |
| CAG | SAH | NAI | H11 | 163.3° | 115.0° |
| SAH | CAG | H12 | H13 | 119.4° | 120.0° |
| OAU | SAH | NAI | H11 | 76.4° | 1.1° |
| OAU | SAH | CAG | H12 | 179.9° | 171.6° |
| OAU | SAH | CAG | H13 | 60.3° | 51.7° |
| OAV | SAH | NAI | H11 | 45.0° | 128.9° |
| OAV | SAH | CAG | H12 | 59.8° | 51.7° |
| OAV | SAH | CAG | H13 | 59.8° | 171.7° |
| H1 | CAT | H2 | H3 | 120.0° | 120.0° |
| H1 | CAT | CAS | H4 | 59.9° | 60.0° |
| H1 | CAT | CAS | H5 | 59.8° | 60.0° |
| H2 | CAT | CAS | H4 | 179.9° | 60.0° |
| H2 | CAT | CAS | H5 | 60.2° | 180.0° |
| H3 | CAT | CAS | H4 | 60.2° | 180.0° |
| H3 | CAT | CAS | H5 | 179.8° | 60.0° |
| H7 | CAP | H8 | H9 | 120.0° | 120.0° |
| H14 | CAD | CAC | H15 | 0.8° | 0.1° |
| H16 | CAW | H17 | H18 | 120.0° | 120.0° |
| H19 | CAA | CAF | H20 | 0.5° | 0.2° |
