9YC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAQ | CAP | trip | 1.14Å | 1.13Å | |
| CAP | CAM | sing | 1.47Å | 1.42Å | |
| OAV | PAT | doub | 1.48Å | 1.56Å | |
| CAM | CAK | sing | 1.51Å | 1.51Å | |
| OAW | PAT | sing | 1.61Å | 1.49Å | |
| OAO | CAL | doub | 1.21Å | 1.25Å | |
| PAT | OAU | sing | 1.61Å | 1.55Å | |
| PAT | OAS | sing | 1.61Å | 1.63Å | |
| CAK | CAL | sing | 1.48Å | 1.52Å | |
| CAK | NAJ | doub | 1.28Å | 1.34Å | |
| CAL | OAN | sing | 1.35Å | 1.22Å | |
| CAR | OAS | sing | 1.43Å | 1.46Å | |
| CAR | CAA | sing | 1.51Å | 1.40Å | |
| NAJ | CAI | sing | 1.47Å | 1.50Å | |
| CAI | CAF | sing | 1.51Å | 1.41Å | |
| CAA | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.44Å | Aromatic |
| CAB | NAC | doub | 1.32Å | 1.39Å | Aromatic |
| CAE | OAH | sing | 1.36Å | 1.38Å | |
| CAE | CAD | doub | 1.39Å | 1.42Å | Aromatic |
| NAC | CAD | sing | 1.32Å | 1.35Å | Aromatic |
| CAD | CAG | sing | 1.51Å | 1.44Å | |
| OAU | H1 | sing | 0.97Å | 0.95Å | |
| OAW | H2 | sing | 0.97Å | 0.95Å | |
| CAR | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| OAH | H9 | sing | 0.97Å | 0.95Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| OAN | H12 | sing | 0.97Å | 0.95Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAQ | CAP | CAM | 174.4° | 180.0° |
| CAP | CAM | CAK | 115.7° | 109.4° |
| CAP | CAM | H13 | 107.9° | 109.4° |
| CAP | CAM | H14 | 107.9° | 109.5° |
| OAV | PAT | OAW | 108.3° | 109.5° |
| OAV | PAT | OAU | 113.1° | 109.5° |
| OAV | PAT | OAS | 109.0° | 109.5° |
| CAM | CAK | CAL | 122.1° | 120.0° |
| CAM | CAK | NAJ | 118.8° | 120.0° |
| CAK | CAM | H13 | 107.9° | 109.5° |
| CAK | CAM | H14 | 107.9° | 109.5° |
| OAW | PAT | OAU | 113.1° | 109.5° |
| OAW | PAT | OAS | 108.1° | 109.5° |
| PAT | OAW | H2 | 109.5° | 114.0° |
| OAO | CAL | CAK | 123.2° | 120.0° |
| OAO | CAL | OAN | 119.2° | 120.0° |
| OAU | PAT | OAS | 104.9° | 109.5° |
| PAT | OAU | H1 | 109.5° | 113.9° |
| PAT | OAS | CAR | 115.6° | 123.0° |
| CAL | CAK | NAJ | 119.1° | 120.0° |
| CAK | CAL | OAN | 117.6° | 120.0° |
| CAK | NAJ | CAI | 125.6° | 120.0° |
| CAL | OAN | H12 | 109.5° | 117.0° |
| OAS | CAR | CAA | 104.4° | 109.5° |
| OAS | CAR | H3 | 110.7° | 109.5° |
| OAS | CAR | H4 | 110.7° | 109.5° |
| CAR | CAA | CAF | 122.3° | 120.4° |
| CAR | CAA | CAB | 119.2° | 120.4° |
| CAA | CAR | H3 | 110.7° | 109.5° |
| CAA | CAR | H4 | 110.7° | 109.5° |
| NAJ | CAI | CAF | 109.4° | 109.4° |
| NAJ | CAI | H10 | 109.5° | 109.4° |
| NAJ | CAI | H11 | 109.5° | 109.5° |
| CAI | CAF | CAA | 118.5° | 120.8° |
| CAI | CAF | CAE | 123.5° | 120.8° |
| CAF | CAI | H10 | 109.5° | 109.4° |
| CAF | CAI | H11 | 109.5° | 109.5° |
| CAF | CAA | CAB | 118.4° | 119.3° |
| CAA | CAF | CAE | 117.9° | 118.4° |
| CAA | CAB | NAC | 122.2° | 120.8° |
| CAA | CAB | H5 | 118.9° | 119.6° |
| CAF | CAE | OAH | 119.0° | 120.4° |
| CAF | CAE | CAD | 122.1° | 119.0° |
| CAB | NAC | CAD | 122.2° | 121.8° |
| NAC | CAB | H5 | 118.9° | 119.6° |
| OAH | CAE | CAD | 118.8° | 120.5° |
| CAE | OAH | H9 | 109.5° | 114.0° |
| CAE | CAD | NAC | 117.0° | 120.7° |
| CAE | CAD | CAG | 124.6° | 119.6° |
| NAC | CAD | CAG | 118.3° | 119.7° |
| CAD | CAG | H6 | 109.5° | 109.5° |
| CAD | CAG | H7 | 109.5° | 109.5° |
| CAD | CAG | H8 | 109.5° | 109.5° |
| H3 | CAR | H4 | 109.5° | 109.5° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H6 | CAG | H8 | 109.5° | 109.4° |
| H7 | CAG | H8 | 109.5° | 109.5° |
| H10 | CAI | H11 | 109.5° | 109.6° |
| H13 | CAM | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAQ | CAP | CAM | CAK | 126.8° | 69.5° |
| NAQ | CAP | CAM | H13 | 112.2° | 170.6° |
| NAQ | CAP | CAM | H14 | 5.9° | 50.5° |
| CAP | CAM | CAK | H13 | 120.9° | 119.9° |
| CAP | CAM | CAK | H14 | 120.9° | 120.0° |
| CAP | CAM | CAK | CAL | 16.4° | 95.1° |
| CAP | CAM | CAK | NAJ | 164.3° | 84.9° |
| CAP | CAM | H13 | H14 | 117.1° | 120.0° |
| OAV | PAT | OAW | OAU | 126.2° | 120.0° |
| OAV | PAT | OAW | OAS | 118.0° | 120.0° |
| OAV | PAT | OAU | OAS | 118.7° | 120.0° |
| OAV | PAT | OAS | CAR | 37.0° | 55.0° |
| OAV | PAT | OAU | H1 | 0.0° | 60.0° |
| OAV | PAT | OAW | H2 | 0.0° | 180.0° |
| CAM | CAK | CAL | OAO | 1.5° | 0.0° |
| CAM | CAK | CAL | NAJ | 179.3° | 180.0° |
| CAM | CAK | CAL | OAN | 180.0° | 180.0° |
| CAM | CAK | NAJ | CAI | 4.2° | 5.6° |
| CAK | CAM | H13 | H14 | 117.2° | 120.0° |
| OAW | PAT | OAU | OAS | 117.7° | 120.0° |
| OAW | PAT | OAS | CAR | 80.6° | 65.0° |
| OAW | PAT | OAU | H1 | 123.6° | 60.0° |
| OAO | CAL | CAK | OAN | 178.5° | 179.9° |
| OAO | CAL | CAK | NAJ | 177.7° | 180.0° |
| OAO | CAL | OAN | H12 | 0.0° | 0.0° |
| OAU | PAT | OAS | CAR | 158.4° | 175.0° |
| OAU | PAT | OAW | H2 | 126.2° | 60.0° |
| PAT | OAS | CAR | CAA | 164.3° | 180.0° |
| OAS | PAT | OAU | H1 | 118.8° | 180.0° |
| OAS | PAT | OAW | H2 | 118.0° | 60.0° |
| PAT | OAS | CAR | H3 | 45.1° | 60.0° |
| PAT | OAS | CAR | H4 | 76.5° | 60.0° |
| CAL | CAK | NAJ | CAI | 175.1° | 174.4° |
| CAK | CAL | OAN | H12 | 178.6° | 180.0° |
| CAL | CAK | CAM | H13 | 137.4° | 24.8° |
| CAL | CAK | CAM | H14 | 104.4° | 144.9° |
| NAJ | CAK | CAL | OAN | 0.8° | 0.0° |
| CAK | NAJ | CAI | CAF | 161.4° | 175.5° |
| CAK | NAJ | CAI | H10 | 41.5° | 55.5° |
| CAK | NAJ | CAI | H11 | 78.6° | 64.5° |
| NAJ | CAK | CAM | H13 | 43.4° | 155.2° |
| NAJ | CAK | CAM | H14 | 74.8° | 35.1° |
| OAS | CAR | CAA | H3 | 119.2° | 120.0° |
| OAS | CAR | CAA | H4 | 119.2° | 120.0° |
| OAS | CAR | CAA | CAF | 73.9° | 180.0° |
| OAS | CAR | CAA | CAB | 103.3° | 0.3° |
| OAS | CAR | H3 | H4 | 122.3° | 120.0° |
| CAR | CAA | CAF | CAI | 4.2° | 0.0° |
| CAR | CAA | CAF | CAB | 177.2° | 179.7° |
| CAR | CAA | CAF | CAE | 178.5° | 179.7° |
| CAR | CAA | CAB | NAC | 178.1° | 180.0° |
| CAA | CAR | H3 | H4 | 122.4° | 120.0° |
| CAR | CAA | CAB | H5 | 1.9° | 0.0° |
| NAJ | CAI | CAF | H10 | 120.0° | 119.9° |
| NAJ | CAI | CAF | H11 | 120.0° | 120.0° |
| NAJ | CAI | CAF | CAA | 136.7° | 90.0° |
| NAJ | CAI | CAF | CAE | 40.5° | 89.7° |
| NAJ | CAI | H10 | H11 | 120.1° | 120.0° |
| CAI | CAF | CAA | CAE | 177.3° | 179.7° |
| CAI | CAF | CAA | CAB | 178.6° | 179.7° |
| CAI | CAF | CAE | OAH | 5.0° | 0.0° |
| CAI | CAF | CAE | CAD | 177.6° | 179.7° |
| CAF | CAI | H10 | H11 | 120.0° | 120.1° |
| CAF | CAA | CAB | NAC | 0.8° | 0.3° |
| CAA | CAF | CAE | OAH | 177.9° | 179.8° |
| CAA | CAF | CAE | CAD | 0.4° | 0.6° |
| CAF | CAA | CAR | H3 | 45.3° | 60.0° |
| CAF | CAA | CAR | H4 | 166.9° | 60.0° |
| CAF | CAA | CAB | H5 | 179.2° | 179.7° |
| CAA | CAF | CAI | H10 | 16.7° | 150.1° |
| CAA | CAF | CAI | H11 | 103.4° | 30.0° |
| CAB | CAA | CAF | CAE | 1.3° | 0.6° |
| CAA | CAB | NAC | H5 | 180.0° | 180.0° |
| CAA | CAB | NAC | CAD | 0.7° | 0.0° |
| CAB | CAA | CAR | H3 | 137.6° | 119.7° |
| CAB | CAA | CAR | H4 | 15.9° | 120.3° |
| CAF | CAE | OAH | CAD | 177.5° | 179.7° |
| CAF | CAE | CAD | NAC | 1.1° | 0.3° |
| CAF | CAE | CAD | CAG | 179.1° | 179.7° |
| CAF | CAE | OAH | H9 | 180.0° | 89.8° |
| CAE | CAF | CAI | H10 | 160.5° | 30.2° |
| CAE | CAF | CAI | H11 | 79.5° | 150.3° |
| CAB | NAC | CAD | CAE | 1.6° | 0.0° |
| CAB | NAC | CAD | CAG | 179.8° | 180.0° |
| OAH | CAE | CAD | NAC | 176.4° | 180.0° |
| OAH | CAE | CAD | CAG | 1.7° | 0.0° |
| CAE | CAD | NAC | CAG | 178.2° | 180.0° |
| CAE | CAD | CAG | H6 | 178.0° | 90.0° |
| CAE | CAD | CAG | H7 | 58.0° | 30.0° |
| CAE | CAD | CAG | H8 | 62.0° | 150.0° |
| CAD | CAE | OAH | H9 | 2.5° | 89.9° |
| CAD | NAC | CAB | H5 | 179.2° | 180.0° |
| NAC | CAD | CAG | H6 | 0.0° | 90.0° |
| NAC | CAD | CAG | H7 | 120.0° | 150.0° |
| NAC | CAD | CAG | H8 | 120.0° | 30.0° |
| CAD | CAG | H6 | H7 | 120.0° | 120.0° |
| CAD | CAG | H6 | H8 | 120.0° | 120.0° |
| CAD | CAG | H7 | H8 | 120.0° | 120.0° |
| H6 | CAG | H7 | H8 | 120.0° | 120.0° |
