DWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBE | HBE | sing | 1.09Å | 1.10Å | |
| CBE | HBEA | sing | 1.09Å | 1.10Å | |
| CBE | HBEB | sing | 1.09Å | 1.10Å | |
| NBC | CBE | sing | 1.46Å | 1.48Å | |
| CBD | NBC | sing | 1.47Å | 1.33Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| CBD | HBDA | sing | 1.09Å | 1.10Å | |
| CBD | HBDB | sing | 1.09Å | 1.10Å | |
| C | NBC | sing | 1.35Å | 1.36Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.54Å | 1.55Å | |
| CB | CG | sing | 1.55Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| CD | N | sing | 1.48Å | 1.47Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.55Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| SAK | CG | sing | 1.81Å | 1.85Å | |
| SAK | CAI | sing | 1.81Å | 1.85Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAH | CAI | sing | 1.55Å | 1.53Å | |
| CAH | CAS | sing | 1.53Å | 1.54Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAS | HASB | sing | 1.09Å | 1.10Å | |
| CAL | CAI | sing | 1.51Å | 1.52Å | |
| CAL | CAM | sing | 1.48Å | 1.51Å | |
| CAM | OAU | sing | 1.35Å | 1.24Å | |
| OAT | CAM | doub | 1.21Å | 1.23Å | |
| OAU | HOAU | sing | 0.97Å | 0.95Å | |
| NAJ | CAL | doub | 1.27Å | 1.32Å | |
| NAJ | CAD | sing | 1.47Å | 1.47Å | |
| CAD | CAH | sing | 1.55Å | 1.56Å | |
| CAD | CAB | sing | 1.53Å | 1.55Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAE | CAB | sing | 1.53Å | 1.55Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAF | HAFB | sing | 1.09Å | 1.10Å | |
| OAG | CAE | sing | 1.43Å | 1.46Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CAA | CAB | sing | 1.51Å | 1.55Å | |
| CAA | OAC | doub | 1.21Å | 1.24Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HBE | CBE | HBEA | 109.5° | 109.5° |
| HBE | CBE | HBEB | 109.5° | 109.4° |
| HBE | CBE | NBC | 109.5° | 109.5° |
| HBEA | CBE | HBEB | 109.5° | 109.5° |
| HBEA | CBE | NBC | 109.5° | 109.5° |
| HBEB | CBE | NBC | 109.4° | 109.4° |
| CBE | NBC | CBD | 116.7° | 120.0° |
| CBE | NBC | C | 122.0° | 120.0° |
| NBC | CBD | HBD | 109.5° | 109.5° |
| NBC | CBD | HBDA | 109.5° | 109.5° |
| NBC | CBD | HBDB | 109.4° | 109.5° |
| CBD | NBC | C | 121.3° | 119.9° |
| HBD | CBD | HBDA | 109.5° | 109.5° |
| HBD | CBD | HBDB | 109.4° | 109.4° |
| HBDA | CBD | HBDB | 109.5° | 109.5° |
| NBC | C | CA | 120.8° | 120.1° |
| NBC | C | O | 121.9° | 119.9° |
| CA | C | O | 117.3° | 120.0° |
| C | CA | N | 114.3° | 109.9° |
| C | CA | HA | 108.3° | 109.9° |
| C | CA | CB | 110.6° | 109.9° |
| N | CA | HA | 109.5° | 109.9° |
| N | CA | CB | 105.6° | 107.2° |
| CA | N | HN | 110.8° | 111.0° |
| CA | N | CD | 104.3° | 108.6° |
| HA | CA | CB | 108.5° | 110.0° |
| CA | CB | CG | 104.3° | 103.0° |
| CA | CB | HB | 110.7° | 110.7° |
| CA | CB | HBA | 110.8° | 110.7° |
| CG | CB | HB | 110.7° | 110.7° |
| CG | CB | HBA | 110.7° | 110.7° |
| CB | CG | CD | 101.3° | 101.7° |
| CB | CG | HG | 111.8° | 111.0° |
| CB | CG | SAK | 110.3° | 111.0° |
| HB | CB | HBA | 109.4° | 110.8° |
| HN | N | CD | 110.7° | 111.0° |
| N | CD | HD | 111.3° | 110.4° |
| N | CD | HDA | 111.3° | 110.3° |
| N | CD | CG | 102.2° | 104.8° |
| HD | CD | HDA | 109.5° | 110.3° |
| HD | CD | CG | 111.2° | 110.5° |
| HDA | CD | CG | 111.3° | 110.5° |
| CD | CG | HG | 111.8° | 111.0° |
| CD | CG | SAK | 113.7° | 111.0° |
| HG | CG | SAK | 107.9° | 110.9° |
| CG | SAK | CAI | 107.8° | 103.0° |
| SAK | CAI | HAI | 110.4° | 110.5° |
| SAK | CAI | CAH | 106.1° | 110.5° |
| SAK | CAI | CAL | 108.2° | 110.6° |
| HAI | CAI | CAH | 114.9° | 110.5° |
| HAI | CAI | CAL | 115.1° | 110.6° |
| CAI | CAH | CAS | 110.6° | 111.1° |
| CAI | CAH | HAH | 109.2° | 111.1° |
| CAH | CAI | CAL | 101.3° | 103.9° |
| CAI | CAH | CAD | 103.9° | 100.8° |
| CAS | CAH | HAH | 109.1° | 111.0° |
| CAH | CAS | HAS | 109.5° | 109.5° |
| CAH | CAS | HASA | 109.4° | 109.5° |
| CAH | CAS | HASB | 109.4° | 109.5° |
| CAS | CAH | CAD | 115.0° | 111.2° |
| HAH | CAH | CAD | 108.8° | 111.2° |
| HAS | CAS | HASA | 109.5° | 109.5° |
| HAS | CAS | HASB | 109.5° | 109.4° |
| HASA | CAS | HASB | 109.5° | 109.4° |
| CAI | CAL | CAM | 127.6° | 124.4° |
| CAI | CAL | NAJ | 112.4° | 111.2° |
| CAL | CAM | OAU | 118.8° | 120.0° |
| CAL | CAM | OAT | 116.3° | 120.0° |
| CAM | CAL | NAJ | 120.0° | 124.4° |
| OAU | CAM | OAT | 124.9° | 120.0° |
| CAM | OAU | HOAU | 109.5° | 117.1° |
| CAL | NAJ | CAD | 111.6° | 112.5° |
| NAJ | CAD | CAH | 103.8° | 105.0° |
| NAJ | CAD | CAB | 103.7° | 110.3° |
| NAJ | CAD | HAD | 113.0° | 110.4° |
| CAH | CAD | CAB | 112.6° | 110.4° |
| CAH | CAD | HAD | 111.5° | 110.3° |
| CAB | CAD | HAD | 111.8° | 110.4° |
| CAD | CAB | HAB | 107.6° | 109.5° |
| CAD | CAB | CAE | 113.5° | 109.4° |
| CAD | CAB | CAA | 109.0° | 109.5° |
| HAB | CAB | CAE | 107.6° | 109.5° |
| HAB | CAB | CAA | 107.5° | 109.5° |
| CAB | CAE | CAF | 110.9° | 109.5° |
| CAB | CAE | HAE | 106.8° | 109.5° |
| CAB | CAE | OAG | 112.9° | 109.5° |
| CAE | CAB | CAA | 111.4° | 109.5° |
| CAF | CAE | HAE | 106.9° | 109.5° |
| CAE | CAF | HAF | 109.5° | 109.5° |
| CAE | CAF | HAFA | 109.5° | 109.5° |
| CAE | CAF | HAFB | 109.5° | 109.5° |
| CAF | CAE | OAG | 111.2° | 109.5° |
| HAE | CAE | OAG | 107.8° | 109.5° |
| HAF | CAF | HAFA | 109.4° | 109.5° |
| HAF | CAF | HAFB | 109.5° | 109.5° |
| HAFA | CAF | HAFB | 109.5° | 109.4° |
| CAE | OAG | HOAG | 109.5° | 114.0° |
| CAB | CAA | OAC | 121.4° | 120.0° |
| CAB | CAA | HAA | 119.3° | 120.0° |
| OAC | CAA | HAA | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HBE | CBE | HBEA | HBEB | 120.0° | 120.0° |
| HBE | CBE | HBEA | NBC | 120.0° | 120.0° |
| HBE | CBE | HBEB | NBC | 120.0° | 120.0° |
| HBE | CBE | NBC | CBD | 180.0° | 90.0° |
| HBE | CBE | NBC | C | 0.2° | 90.1° |
| HBEA | CBE | HBEB | NBC | 120.0° | 120.0° |
| HBEA | CBE | NBC | CBD | 60.0° | 150.0° |
| HBEA | CBE | NBC | C | 120.2° | 30.0° |
| HBEB | CBE | NBC | CBD | 60.0° | 30.0° |
| HBEB | CBE | NBC | C | 119.8° | 150.0° |
| CBE | NBC | CBD | C | 179.8° | 180.0° |
| CBE | NBC | CBD | HBD | 180.0° | 90.0° |
| CBE | NBC | CBD | HBDA | 60.0° | 150.0° |
| CBE | NBC | CBD | HBDB | 60.0° | 30.0° |
| CBE | NBC | C | CA | 0.5° | 180.0° |
| CBE | NBC | C | O | 179.3° | 0.0° |
| NBC | CBD | HBD | HBDA | 120.0° | 120.0° |
| NBC | CBD | HBD | HBDB | 120.0° | 120.0° |
| NBC | CBD | HBDA | HBDB | 120.0° | 120.0° |
| CBD | NBC | C | CA | 179.7° | 0.1° |
| CBD | NBC | C | O | 0.9° | 180.0° |
| HBD | CBD | HBDA | HBDB | 120.0° | 120.0° |
| HBD | CBD | NBC | C | 0.2° | 90.0° |
| HBDA | CBD | NBC | C | 119.8° | 30.0° |
| HBDB | CBD | NBC | C | 120.2° | 150.0° |
| NBC | C | CA | O | 178.9° | 179.9° |
| NBC | C | CA | N | 0.1° | 161.5° |
| NBC | C | CA | HA | 122.2° | 40.5° |
| NBC | C | CA | CB | 119.1° | 80.8° |
| C | CA | N | HA | 121.6° | 121.0° |
| C | CA | N | CB | 121.8° | 119.4° |
| C | CA | HA | CB | 120.0° | 121.1° |
| C | CA | CB | CG | 123.2° | 141.7° |
| C | CA | CB | HB | 4.0° | 23.3° |
| C | CA | CB | HBA | 117.6° | 99.9° |
| C | CA | N | HN | 91.5° | 119.3° |
| C | CA | N | CD | 149.3° | 118.5° |
| O | C | CA | N | 179.0° | 18.6° |
| O | C | CA | HA | 56.7° | 139.6° |
| O | C | CA | CB | 62.0° | 99.2° |
| N | CA | HA | CB | 114.7° | 117.9° |
| N | CA | CB | CG | 0.9° | 22.3° |
| N | CA | CB | HB | 120.1° | 96.1° |
| N | CA | CB | HBA | 118.2° | 140.7° |
| CA | N | HN | CD | 115.2° | 120.8° |
| CA | N | CD | HD | 73.2° | 143.0° |
| CA | N | CD | HDA | 164.4° | 94.9° |
| CA | N | CD | CG | 45.6° | 24.0° |
| HA | CA | CB | CG | 118.2° | 97.2° |
| HA | CA | CB | HB | 122.6° | 144.4° |
| HA | CA | CB | HBA | 1.0° | 21.2° |
| HA | CA | N | HN | 30.1° | 1.7° |
| HA | CA | N | CD | 89.0° | 120.5° |
| CA | CB | CG | HB | 119.2° | 118.4° |
| CA | CB | CG | HBA | 119.2° | 118.4° |
| CA | CB | HB | HBA | 122.4° | 123.2° |
| CB | CA | N | HN | 146.7° | 121.3° |
| CB | CA | N | CD | 27.6° | 0.9° |
| CA | CB | CG | CD | 27.5° | 35.7° |
| CA | CB | CG | HG | 146.8° | 82.4° |
| CA | CB | CG | SAK | 93.1° | 153.8° |
| CG | CB | HB | HBA | 122.3° | 123.2° |
| CB | CG | CD | N | 45.1° | 37.0° |
| CB | CG | CD | HD | 73.7° | 155.9° |
| CB | CG | CD | HDA | 163.9° | 81.8° |
| CB | CG | CD | HG | 119.3° | 118.1° |
| CB | CG | CD | SAK | 118.3° | 118.1° |
| CB | CG | HG | SAK | 121.4° | 123.9° |
| CB | CG | SAK | CAI | 165.5° | 175.0° |
| HB | CB | CG | CD | 146.7° | 82.8° |
| HB | CB | CG | HG | 94.0° | 159.2° |
| HB | CB | CG | SAK | 26.0° | 35.4° |
| HBA | CB | CG | CD | 91.7° | 154.0° |
| HBA | CB | CG | HG | 27.6° | 36.0° |
| HBA | CB | CG | SAK | 147.6° | 87.9° |
| HN | N | CD | HD | 46.0° | 20.7° |
| HN | N | CD | HDA | 76.4° | 142.9° |
| HN | N | CD | CG | 164.8° | 98.2° |
| N | CD | HD | HDA | 123.4° | 122.2° |
| N | CD | HD | CG | 113.2° | 115.4° |
| N | CD | HDA | CG | 113.2° | 115.4° |
| N | CD | CG | HG | 164.4° | 81.0° |
| N | CD | CG | SAK | 73.1° | 155.2° |
| HD | CD | HDA | CG | 123.4° | 122.4° |
| HD | CD | CG | HG | 45.6° | 37.8° |
| HD | CD | CG | SAK | 168.0° | 86.0° |
| HDA | CD | CG | HG | 76.8° | 160.2° |
| HDA | CD | CG | SAK | 45.7° | 36.4° |
| CD | CG | HG | SAK | 125.7° | 123.9° |
| CD | CG | SAK | CAI | 52.5° | 72.7° |
| HG | CG | SAK | CAI | 72.1° | 51.1° |
| CG | SAK | CAI | HAI | 53.4° | 54.3° |
| CG | SAK | CAI | CAH | 178.5° | 177.0° |
| CG | SAK | CAI | CAL | 73.4° | 68.5° |
| SAK | CAI | HAI | CAH | 120.0° | 122.7° |
| SAK | CAI | HAI | CAL | 122.8° | 122.8° |
| SAK | CAI | CAH | CAL | 112.9° | 118.6° |
| SAK | CAI | CAH | CAS | 148.3° | 147.1° |
| SAK | CAI | CAH | HAH | 28.3° | 22.9° |
| SAK | CAI | CAL | CAM | 85.8° | 77.4° |
| SAK | CAI | CAL | NAJ | 91.3° | 102.7° |
| SAK | CAI | CAH | CAD | 87.7° | 95.0° |
| HAI | CAI | CAH | CAL | 124.8° | 118.7° |
| HAI | CAI | CAH | CAS | 26.0° | 24.4° |
| HAI | CAI | CAH | HAH | 94.0° | 99.8° |
| HAI | CAI | CAL | CAM | 38.2° | 45.3° |
| HAI | CAI | CAL | NAJ | 144.7° | 134.6° |
| HAI | CAI | CAH | CAD | 150.0° | 142.3° |
| CAI | CAH | CAS | HAH | 120.1° | 124.3° |
| CAI | CAH | CAS | CAD | 117.3° | 111.4° |
| CAI | CAH | HAH | CAD | 112.8° | 111.4° |
| CAI | CAH | CAS | HAS | 180.0° | 67.2° |
| CAI | CAH | CAS | HASA | 60.0° | 172.8° |
| CAI | CAH | CAS | HASB | 60.0° | 52.8° |
| CAH | CAI | CAL | CAM | 162.8° | 163.9° |
| CAH | CAI | CAL | NAJ | 20.1° | 16.0° |
| CAI | CAH | CAD | NAJ | 23.3° | 24.0° |
| CAI | CAH | CAD | CAB | 134.8° | 142.9° |
| CAI | CAH | CAD | HAD | 98.7° | 94.9° |
| CAS | CAH | HAH | CAD | 126.2° | 124.3° |
| CAH | CAS | HAS | HASA | 120.0° | 120.0° |
| CAH | CAS | HAS | HASB | 120.0° | 120.1° |
| CAH | CAS | HASA | HASB | 120.0° | 120.0° |
| CAS | CAH | CAI | CAL | 98.7° | 94.3° |
| CAS | CAH | CAD | NAJ | 97.7° | 93.9° |
| CAS | CAH | CAD | CAB | 13.7° | 25.0° |
| CAS | CAH | CAD | HAD | 140.3° | 147.2° |
| HAH | CAH | CAS | HAS | 59.9° | 57.1° |
| HAH | CAH | CAS | HASA | 179.9° | 63.0° |
| HAH | CAH | CAS | HASB | 60.1° | 177.1° |
| HAH | CAH | CAI | CAL | 141.3° | 141.5° |
| HAH | CAH | CAD | NAJ | 139.6° | 141.8° |
| HAH | CAH | CAD | CAB | 109.0° | 99.3° |
| HAH | CAH | CAD | HAD | 17.6° | 22.9° |
| HAS | CAS | HASA | HASB | 120.0° | 119.9° |
| HAS | CAS | CAH | CAD | 62.7° | 178.6° |
| HASA | CAS | CAH | CAD | 57.3° | 61.4° |
| HASB | CAS | CAH | CAD | 177.3° | 58.6° |
| CAI | CAL | CAM | NAJ | 176.9° | 179.9° |
| CAI | CAL | CAM | OAU | 2.4° | 180.0° |
| CAI | CAL | CAM | OAT | 176.7° | 0.1° |
| CAI | CAL | NAJ | CAD | 5.3° | 0.1° |
| CAL | CAI | CAH | CAD | 25.2° | 23.6° |
| CAL | CAM | OAU | OAT | 179.0° | 180.0° |
| CAL | CAM | OAU | HOAU | 179.0° | 179.9° |
| CAM | CAL | NAJ | CAD | 177.3° | 180.0° |
| OAU | CAM | CAL | NAJ | 179.2° | 0.1° |
| OAT | CAM | OAU | HOAU | 0.0° | 0.0° |
| OAT | CAM | CAL | NAJ | 0.1° | 180.0° |
| CAL | NAJ | CAD | CAH | 11.6° | 16.2° |
| CAL | NAJ | CAD | CAB | 129.5° | 135.1° |
| CAL | NAJ | CAD | HAD | 109.4° | 102.7° |
| NAJ | CAD | CAH | CAB | 111.5° | 118.9° |
| NAJ | CAD | CAH | HAD | 122.0° | 118.9° |
| NAJ | CAD | CAB | HAD | 122.0° | 122.2° |
| NAJ | CAD | CAB | HAB | 97.8° | 171.8° |
| NAJ | CAD | CAB | CAE | 143.3° | 68.2° |
| NAJ | CAD | CAB | CAA | 18.5° | 51.8° |
| CAH | CAD | CAB | HAD | 126.4° | 122.2° |
| CAH | CAD | CAB | HAB | 13.8° | 56.2° |
| CAH | CAD | CAB | CAE | 105.1° | 176.2° |
| CAH | CAD | CAB | CAA | 130.1° | 63.8° |
| CAD | CAB | HAB | CAE | 122.6° | 120.0° |
| CAD | CAB | HAB | CAA | 117.2° | 120.0° |
| CAD | CAB | CAE | CAA | 123.5° | 120.0° |
| CAD | CAB | CAE | CAF | 66.8° | 60.0° |
| CAD | CAB | CAE | HAE | 177.0° | 180.0° |
| CAD | CAB | CAE | OAG | 58.8° | 60.0° |
| CAD | CAB | CAA | OAC | 98.5° | 127.3° |
| CAD | CAB | CAA | HAA | 81.6° | 52.7° |
| HAD | CAD | CAB | HAB | 140.2° | 66.0° |
| HAD | CAD | CAB | CAE | 21.3° | 54.0° |
| HAD | CAD | CAB | CAA | 103.5° | 174.0° |
| HAB | CAB | CAE | CAA | 117.7° | 120.0° |
| HAB | CAB | CAE | CAF | 52.1° | 60.0° |
| HAB | CAB | CAE | HAE | 64.1° | 60.0° |
| HAB | CAB | CAE | OAG | 177.7° | 180.0° |
| HAB | CAB | CAA | OAC | 17.8° | 7.3° |
| HAB | CAB | CAA | HAA | 162.1° | 172.7° |
| CAB | CAE | CAF | HAE | 116.1° | 120.0° |
| CAB | CAE | CAF | OAG | 126.5° | 120.0° |
| CAB | CAE | HAE | OAG | 121.6° | 120.0° |
| CAB | CAE | CAF | HAF | 180.0° | 60.0° |
| CAB | CAE | CAF | HAFA | 60.0° | 60.0° |
| CAB | CAE | CAF | HAFB | 60.0° | 180.0° |
| CAB | CAE | OAG | HOAG | 180.0° | 180.0° |
| CAE | CAB | CAA | OAC | 135.5° | 112.7° |
| CAE | CAB | CAA | HAA | 44.4° | 67.3° |
| CAF | CAE | HAE | OAG | 119.6° | 120.0° |
| CAE | CAF | HAF | HAFA | 120.0° | 120.0° |
| CAE | CAF | HAF | HAFB | 120.0° | 120.0° |
| CAE | CAF | HAFA | HAFB | 120.0° | 120.0° |
| CAF | CAE | OAG | HOAG | 54.6° | 59.9° |
| CAF | CAE | CAB | CAA | 169.7° | 180.0° |
| HAE | CAE | CAF | HAF | 63.9° | 60.0° |
| HAE | CAE | CAF | HAFA | 56.0° | 180.0° |
| HAE | CAE | CAF | HAFB | 176.0° | 60.0° |
| HAE | CAE | OAG | HOAG | 62.3° | 60.0° |
| HAE | CAE | CAB | CAA | 53.6° | 60.0° |
| HAF | CAF | HAFA | HAFB | 120.0° | 120.0° |
| HAF | CAF | CAE | OAG | 53.5° | 180.0° |
| HAFA | CAF | CAE | OAG | 173.4° | 60.0° |
| HAFB | CAF | CAE | OAG | 66.6° | 60.0° |
| OAG | CAE | CAB | CAA | 64.7° | 60.0° |
| CAB | CAA | OAC | HAA | 180.0° | 180.0° |
