5XR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAA | doub | 1.21Å | 1.24Å | |
| OAI | CAH | doub | 1.21Å | 1.26Å | |
| OAC | CAB | sing | 1.43Å | 1.41Å | |
| OAN | CAM | doub | 1.21Å | 1.22Å | |
| CAD | CAH | sing | 1.51Å | 1.51Å | |
| CAD | CAB | sing | 1.53Å | 1.51Å | |
| CAA | CAB | sing | 1.51Å | 1.50Å | |
| CAA | OAF | sing | 1.34Å | 1.26Å | |
| CAH | OAJ | sing | 1.34Å | 1.25Å | |
| CAB | NAE | sing | 1.47Å | 1.44Å | |
| CAM | CAL | sing | 1.51Å | 1.51Å | |
| NAE | CAK | sing | 1.47Å | 1.44Å | |
| CAL | CAK | sing | 1.53Å | 1.51Å | |
| CAK | OAO | sing | 1.43Å | 1.42Å | |
| OAJ | H1 | sing | 0.97Å | 0.95Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| OAF | H4 | sing | 0.97Å | 0.95Å | |
| OAC | H5 | sing | 0.97Å | 0.95Å | |
| NAE | H6 | sing | 1.01Å | 1.00Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| OAO | H9 | sing | 0.97Å | 0.95Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAA | CAB | 115.7° | 120.0° |
| OAG | CAA | OAF | 124.0° | 120.0° |
| OAI | CAH | CAD | 121.4° | 120.0° |
| OAI | CAH | OAJ | 122.4° | 120.0° |
| OAC | CAB | CAD | 105.9° | 109.4° |
| OAC | CAB | CAA | 110.8° | 109.4° |
| OAC | CAB | NAE | 109.4° | 109.5° |
| CAB | OAC | H5 | 109.5° | 114.0° |
| OAN | CAM | CAL | 107.5° | 120.0° |
| OAN | CAM | H13 | 126.2° | 120.0° |
| CAH | CAD | CAB | 112.0° | 109.5° |
| CAD | CAH | OAJ | 116.2° | 120.0° |
| CAH | CAD | H2 | 108.8° | 109.5° |
| CAH | CAD | H3 | 108.8° | 109.5° |
| CAD | CAB | CAA | 104.7° | 109.5° |
| CAD | CAB | NAE | 114.9° | 109.5° |
| CAB | CAD | H2 | 108.8° | 109.4° |
| CAB | CAD | H3 | 108.8° | 109.4° |
| CAB | CAA | OAF | 120.2° | 120.0° |
| CAA | CAB | NAE | 111.0° | 109.5° |
| CAA | OAF | H4 | 109.5° | 117.0° |
| CAH | OAJ | H1 | 109.5° | 117.0° |
| CAB | NAE | CAK | 111.1° | 111.0° |
| CAB | NAE | H6 | 109.1° | 110.9° |
| CAM | CAL | CAK | 118.6° | 109.5° |
| CAM | CAL | H10 | 107.1° | 109.5° |
| CAM | CAL | H11 | 107.1° | 109.4° |
| CAL | CAM | H13 | 126.3° | 120.0° |
| NAE | CAK | CAL | 113.5° | 109.5° |
| NAE | CAK | OAO | 109.3° | 109.5° |
| CAK | NAE | H6 | 109.1° | 111.0° |
| NAE | CAK | H8 | 108.3° | 109.4° |
| CAL | CAK | OAO | 109.5° | 109.5° |
| CAL | CAK | H8 | 107.4° | 109.5° |
| CAK | CAL | H10 | 107.2° | 109.5° |
| CAK | CAL | H11 | 107.2° | 109.5° |
| OAO | CAK | H8 | 108.6° | 109.5° |
| CAK | OAO | H9 | 109.5° | 114.0° |
| H2 | CAD | H3 | 109.5° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAA | CAB | OAC | 15.0° | 1.7° |
| OAG | CAA | CAB | CAD | 98.7° | 121.7° |
| OAG | CAA | CAB | OAF | 177.0° | 180.0° |
| OAG | CAA | CAB | NAE | 136.7° | 118.3° |
| OAG | CAA | OAF | H4 | 0.0° | 0.0° |
| OAI | CAH | CAD | OAJ | 178.3° | 179.7° |
| OAI | CAH | CAD | CAB | 104.9° | 0.1° |
| OAI | CAH | OAJ | H1 | 0.0° | 0.0° |
| OAI | CAH | CAD | H2 | 15.5° | 120.0° |
| OAI | CAH | CAD | H3 | 134.7° | 119.9° |
| OAC | CAB | CAD | CAH | 64.4° | 60.0° |
| OAC | CAB | CAD | CAA | 117.1° | 119.9° |
| OAC | CAB | CAD | NAE | 120.9° | 120.0° |
| OAC | CAB | CAA | NAE | 121.8° | 120.0° |
| OAC | CAB | CAA | OAF | 168.0° | 178.2° |
| OAC | CAB | NAE | CAK | 94.1° | 65.9° |
| OAC | CAB | CAD | H2 | 55.9° | 180.0° |
| OAC | CAB | CAD | H3 | 175.2° | 60.1° |
| OAC | CAB | NAE | H6 | 145.7° | 170.1° |
| OAN | CAM | CAL | H13 | 180.0° | 179.9° |
| OAN | CAM | CAL | CAK | 121.5° | 125.0° |
| OAN | CAM | CAL | H10 | 0.2° | 4.9° |
| OAN | CAM | CAL | H11 | 117.3° | 115.1° |
| CAH | CAD | CAB | H2 | 120.4° | 120.0° |
| CAH | CAD | CAB | H3 | 120.4° | 120.1° |
| CAH | CAD | CAB | CAA | 178.4° | 60.0° |
| CAH | CAD | CAB | NAE | 56.4° | 180.0° |
| CAD | CAH | OAJ | H1 | 178.3° | 179.7° |
| CAH | CAD | H2 | H3 | 118.8° | 120.1° |
| CAD | CAB | CAA | NAE | 124.5° | 120.1° |
| CAD | CAB | CAA | OAF | 78.3° | 58.3° |
| CAB | CAD | CAH | OAJ | 76.8° | 179.7° |
| CAD | CAB | NAE | CAK | 147.0° | 174.1° |
| CAB | CAD | H2 | H3 | 118.9° | 119.9° |
| CAD | CAB | OAC | H5 | 105.8° | 60.0° |
| CAD | CAB | NAE | H6 | 26.8° | 50.2° |
| CAA | CAB | NAE | CAK | 28.5° | 54.0° |
| CAA | CAB | CAD | H2 | 61.2° | 60.0° |
| CAA | CAB | CAD | H3 | 58.1° | 180.0° |
| CAB | CAA | OAF | H4 | 176.8° | 180.0° |
| CAA | CAB | OAC | H5 | 7.2° | 180.0° |
| CAA | CAB | NAE | H6 | 91.8° | 69.9° |
| OAF | CAA | CAB | NAE | 46.2° | 61.8° |
| OAJ | CAH | CAD | H2 | 162.8° | 60.3° |
| OAJ | CAH | CAD | H3 | 43.6° | 59.7° |
| CAB | NAE | CAK | H6 | 120.3° | 123.9° |
| CAB | NAE | CAK | CAL | 78.6° | 143.2° |
| CAB | NAE | CAK | OAO | 158.8° | 96.8° |
| NAE | CAB | CAD | H2 | 176.8° | 60.0° |
| NAE | CAB | CAD | H3 | 63.9° | 59.9° |
| NAE | CAB | OAC | H5 | 129.9° | 60.0° |
| CAB | NAE | CAK | H8 | 40.7° | 23.2° |
| CAM | CAL | CAK | NAE | 72.8° | 174.9° |
| CAM | CAL | CAK | H10 | 121.3° | 120.0° |
| CAM | CAL | CAK | H11 | 121.3° | 120.0° |
| CAM | CAL | CAK | OAO | 164.7° | 65.0° |
| CAM | CAL | CAK | H8 | 47.0° | 55.0° |
| CAM | CAL | H10 | H11 | 115.9° | 119.9° |
| NAE | CAK | CAL | OAO | 122.5° | 120.0° |
| NAE | CAK | CAL | H8 | 119.7° | 120.0° |
| NAE | CAK | OAO | H8 | 118.0° | 120.0° |
| NAE | CAK | OAO | H9 | 180.0° | 60.1° |
| NAE | CAK | CAL | H10 | 48.5° | 65.0° |
| NAE | CAK | CAL | H11 | 166.0° | 55.0° |
| CAL | CAK | OAO | H8 | 117.0° | 120.0° |
| CAL | CAK | NAE | H6 | 161.2° | 93.0° |
| CAL | CAK | OAO | H9 | 55.0° | 60.0° |
| CAK | CAL | H10 | H11 | 115.9° | 120.0° |
| CAK | CAL | CAM | H13 | 58.5° | 54.9° |
| OAO | CAK | NAE | H6 | 38.6° | 27.1° |
| OAO | CAK | CAL | H10 | 74.0° | 55.0° |
| OAO | CAK | CAL | H11 | 43.5° | 175.0° |
| H6 | NAE | CAK | H8 | 79.6° | 147.0° |
| H8 | CAK | OAO | H9 | 62.0° | 180.0° |
| H8 | CAK | CAL | H10 | 168.2° | 175.0° |
| H8 | CAK | CAL | H11 | 74.3° | 65.0° |
| H10 | CAL | CAM | H13 | 179.8° | 175.0° |
| H11 | CAL | CAM | H13 | 62.7° | 65.0° |
