5OT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAJ | CAH | doub | 1.71Å | 1.82Å | |
| NAI | CAH | sing | 1.35Å | 1.46Å | |
| NAI | CAK | sing | 1.40Å | 1.45Å | |
| IAQ | CAO | sing | 2.10Å | 2.11Å | |
| CAP | CAK | doub | 1.39Å | 1.38Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | NAG | sing | 1.35Å | 1.44Å | |
| CAK | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| NAG | CAD | sing | 1.40Å | 1.44Å | |
| CAD | CAE | doub | 1.39Å | 1.37Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.37Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.37Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | SAR | sing | 1.76Å | 1.81Å | |
| NAU | SAR | sing | 1.66Å | 1.71Å | |
| OAT | SAR | doub | 1.42Å | 1.62Å | |
| SAR | OAS | doub | 1.42Å | 1.62Å | |
| CAP | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| NAI | H5 | sing | 0.97Å | 1.00Å | |
| NAG | H8 | sing | 0.97Å | 1.00Å | |
| CAC | H9 | sing | 1.08Å | 1.08Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| NAU | H11 | sing | 0.97Å | 1.00Å | |
| NAU | H12 | sing | 0.97Å | 1.00Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAE | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAJ | CAH | NAI | 113.7° | 120.0° |
| SAJ | CAH | NAG | 112.2° | 120.0° |
| CAH | NAI | CAK | 115.6° | 120.1° |
| NAI | CAH | NAG | 103.7° | 120.0° |
| CAH | NAI | H5 | 122.2° | 119.9° |
| NAI | CAK | CAP | 121.4° | 120.0° |
| NAI | CAK | CAL | 119.7° | 120.1° |
| CAK | NAI | H5 | 122.2° | 120.0° |
| IAQ | CAO | CAP | 119.6° | 119.9° |
| IAQ | CAO | CAN | 118.9° | 120.0° |
| CAK | CAP | CAO | 119.4° | 119.9° |
| CAP | CAK | CAL | 118.9° | 119.9° |
| CAK | CAP | H1 | 120.3° | 120.0° |
| CAP | CAO | CAN | 121.4° | 120.1° |
| CAO | CAP | H1 | 120.3° | 120.1° |
| CAH | NAG | CAD | 125.9° | 120.0° |
| CAH | NAG | H8 | 117.1° | 120.0° |
| CAK | CAL | CAM | 121.7° | 119.9° |
| CAK | CAL | H4 | 119.2° | 120.0° |
| CAO | CAN | CAM | 119.2° | 120.1° |
| CAO | CAN | H2 | 120.4° | 119.9° |
| NAG | CAD | CAE | 114.4° | 120.1° |
| NAG | CAD | CAC | 124.1° | 120.1° |
| CAD | NAG | H8 | 117.1° | 120.0° |
| CAE | CAD | CAC | 121.4° | 119.8° |
| CAD | CAE | CAF | 120.2° | 120.0° |
| CAD | CAE | H14 | 119.9° | 120.0° |
| CAD | CAC | CAB | 118.6° | 119.9° |
| CAD | CAC | H9 | 120.7° | 120.1° |
| CAL | CAM | CAN | 119.4° | 120.1° |
| CAL | CAM | H3 | 120.3° | 119.9° |
| CAM | CAL | H4 | 119.2° | 120.0° |
| CAE | CAF | CAA | 119.1° | 120.0° |
| CAE | CAF | H13 | 120.4° | 120.0° |
| CAF | CAE | H14 | 119.9° | 120.0° |
| CAM | CAN | H2 | 120.4° | 120.0° |
| CAN | CAM | H3 | 120.3° | 120.0° |
| CAC | CAB | CAA | 119.2° | 120.0° |
| CAB | CAC | H9 | 120.7° | 120.0° |
| CAC | CAB | H10 | 120.4° | 120.0° |
| CAF | CAA | CAB | 121.6° | 120.2° |
| CAF | CAA | SAR | 116.8° | 119.9° |
| CAA | CAF | H13 | 120.5° | 120.0° |
| CAB | CAA | SAR | 121.6° | 119.9° |
| CAA | CAB | H10 | 120.4° | 120.0° |
| CAA | SAR | NAU | 107.0° | 107.2° |
| CAA | SAR | OAT | 106.5° | 106.4° |
| CAA | SAR | OAS | 107.1° | 106.4° |
| NAU | SAR | OAT | 111.0° | 106.4° |
| NAU | SAR | OAS | 110.4° | 106.4° |
| SAR | NAU | H11 | 109.5° | 120.0° |
| SAR | NAU | H12 | 109.5° | 120.0° |
| OAT | SAR | OAS | 114.4° | 123.1° |
| H11 | NAU | H12 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAJ | CAH | NAI | NAG | 122.1° | 180.0° |
| SAJ | CAH | NAI | CAK | 164.4° | 5.8° |
| SAJ | CAH | NAG | CAD | 53.1° | 5.7° |
| SAJ | CAH | NAI | H5 | 15.7° | 174.2° |
| SAJ | CAH | NAG | H8 | 126.9° | 174.3° |
| CAH | NAI | CAK | H5 | 180.0° | 180.0° |
| CAH | NAI | CAK | CAP | 169.6° | 40.9° |
| CAH | NAI | CAK | CAL | 10.7° | 139.0° |
| NAI | CAH | NAG | CAD | 176.2° | 174.3° |
| NAI | CAH | NAG | H8 | 3.8° | 5.8° |
| NAI | CAK | CAP | CAL | 179.7° | 179.9° |
| NAI | CAK | CAP | CAO | 179.6° | 179.9° |
| CAK | NAI | CAH | NAG | 73.5° | 174.3° |
| NAI | CAK | CAL | CAM | 179.0° | 180.0° |
| NAI | CAK | CAP | H1 | 0.4° | 0.3° |
| NAI | CAK | CAL | H4 | 1.0° | 0.0° |
| IAQ | CAO | CAP | CAK | 179.9° | 180.0° |
| IAQ | CAO | CAP | CAN | 179.6° | 180.0° |
| IAQ | CAO | CAN | CAM | 179.9° | 180.0° |
| IAQ | CAO | CAP | H1 | 0.1° | 0.2° |
| IAQ | CAO | CAN | H2 | 0.1° | 0.1° |
| CAK | CAP | CAO | H1 | 180.0° | 179.8° |
| CAK | CAP | CAO | CAN | 0.5° | 0.0° |
| CAP | CAK | CAL | CAM | 0.7° | 0.1° |
| CAP | CAK | CAL | H4 | 179.3° | 179.9° |
| CAP | CAK | NAI | H5 | 10.4° | 139.1° |
| CAO | CAP | CAK | CAL | 0.1° | 0.0° |
| CAP | CAO | CAN | CAM | 0.5° | 0.1° |
| CAP | CAO | CAN | H2 | 179.5° | 180.0° |
| CAH | NAG | CAD | H8 | 180.0° | 179.9° |
| CAH | NAG | CAD | CAE | 174.9° | 139.1° |
| CAH | NAG | CAD | CAC | 5.5° | 41.2° |
| NAG | CAH | NAI | H5 | 106.5° | 5.7° |
| CAK | CAL | CAM | H4 | 180.0° | 180.0° |
| CAK | CAL | CAM | CAN | 0.7° | 0.0° |
| CAL | CAK | CAP | H1 | 179.9° | 179.8° |
| CAK | CAL | CAM | H3 | 179.3° | 179.9° |
| CAL | CAK | NAI | H5 | 169.3° | 41.0° |
| CAO | CAN | CAM | CAL | 0.1° | 0.1° |
| CAO | CAN | CAM | H2 | 180.0° | 179.9° |
| CAN | CAO | CAP | H1 | 179.5° | 179.7° |
| CAO | CAN | CAM | H3 | 179.9° | 180.0° |
| NAG | CAD | CAE | CAC | 179.6° | 179.7° |
| NAG | CAD | CAE | CAF | 179.2° | 179.7° |
| NAG | CAD | CAC | CAB | 179.7° | 180.0° |
| NAG | CAD | CAC | H9 | 0.4° | 0.1° |
| NAG | CAD | CAE | H14 | 0.9° | 0.0° |
| CAD | CAE | CAF | H14 | 180.0° | 179.7° |
| CAE | CAD | CAC | CAB | 0.1° | 0.3° |
| CAD | CAE | CAF | CAA | 0.6° | 0.6° |
| CAE | CAD | NAG | H8 | 5.1° | 40.8° |
| CAE | CAD | CAC | H9 | 179.9° | 179.7° |
| CAD | CAE | CAF | H13 | 179.4° | 179.7° |
| CAC | CAD | CAE | CAF | 0.4° | 0.6° |
| CAD | CAC | CAB | H9 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 0.5° | 0.0° |
| CAC | CAD | NAG | H8 | 174.4° | 138.8° |
| CAD | CAC | CAB | H10 | 179.5° | 180.0° |
| CAC | CAD | CAE | H14 | 179.6° | 179.7° |
| CAL | CAM | CAN | H3 | 180.0° | 179.9° |
| CAL | CAM | CAN | H2 | 179.9° | 180.0° |
| CAE | CAF | CAA | H13 | 180.0° | 179.7° |
| CAE | CAF | CAA | CAB | 0.2° | 0.2° |
| CAE | CAF | CAA | SAR | 179.0° | 179.7° |
| CAN | CAM | CAL | H4 | 179.3° | 180.0° |
| CAC | CAB | CAA | CAF | 0.3° | 0.1° |
| CAC | CAB | CAA | H10 | 180.0° | 179.9° |
| CAC | CAB | CAA | SAR | 179.5° | 180.0° |
| CAF | CAA | CAB | SAR | 179.2° | 179.9° |
| CAF | CAA | SAR | NAU | 42.7° | 90.0° |
| CAF | CAA | SAR | OAT | 161.5° | 156.5° |
| CAF | CAA | SAR | OAS | 75.7° | 23.6° |
| CAF | CAA | CAB | H10 | 179.7° | 180.0° |
| CAA | CAF | CAE | H14 | 179.4° | 179.7° |
| CAB | CAA | SAR | NAU | 136.6° | 89.9° |
| CAB | CAA | SAR | OAT | 17.8° | 23.6° |
| CAB | CAA | SAR | OAS | 105.0° | 156.5° |
| CAA | CAB | CAC | H9 | 179.5° | 179.9° |
| CAB | CAA | CAF | H13 | 179.7° | 180.0° |
| CAA | SAR | NAU | OAT | 115.8° | 113.5° |
| CAA | SAR | NAU | OAS | 116.3° | 113.6° |
| CAA | SAR | OAT | OAS | 118.1° | 122.9° |
| SAR | CAA | CAB | H10 | 0.5° | 0.1° |
| CAA | SAR | NAU | H11 | 180.0° | 150.0° |
| CAA | SAR | NAU | H12 | 60.0° | 30.0° |
| SAR | CAA | CAF | H13 | 1.0° | 0.1° |
| NAU | SAR | OAT | OAS | 125.8° | 123.0° |
| SAR | NAU | H11 | H12 | 120.0° | 180.0° |
| OAT | SAR | NAU | H11 | 64.2° | 96.4° |
| OAT | SAR | NAU | H12 | 55.8° | 83.5° |
| OAS | SAR | NAU | H11 | 63.7° | 36.5° |
| OAS | SAR | NAU | H12 | 176.3° | 143.5° |
| H2 | CAN | CAM | H3 | 0.1° | 0.1° |
| H3 | CAM | CAL | H4 | 0.7° | 0.1° |
| H9 | CAC | CAB | H10 | 0.5° | 0.0° |
| H13 | CAF | CAE | H14 | 0.6° | 0.0° |
