RXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAN | CAN | sing | 1.40Å | 1.38Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAO | OAU | sing | 1.43Å | 1.44Å | |
| OAU | CAZ | sing | 1.36Å | 1.39Å | |
| CAZ | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAX | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | CAX | doub | 1.39Å | 1.41Å | Aromatic |
| CAX | NAR | sing | 1.40Å | 1.37Å | |
| NAR | CAV | sing | 1.35Å | 1.36Å | |
| CAV | OAA | doub | 1.21Å | 1.24Å | |
| CAV | CAP | sing | 1.51Å | 1.50Å | |
| CAP | CAQ | sing | 1.53Å | 1.52Å | |
| CAQ | CAW | sing | 1.51Å | 1.52Å | |
| CAW | OAB | doub | 1.21Å | 1.23Å | |
| CAW | NAS | sing | 1.35Å | 1.33Å | |
| NAS | CAY | sing | 1.40Å | 1.41Å | |
| CAY | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAY | CAM | sing | 1.39Å | 1.42Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CBD | doub | 1.39Å | 1.40Å | Aromatic |
| CBD | CBE | sing | 1.41Å | 1.40Å | Aromatic |
| CBD | CBB | sing | 1.47Å | 1.38Å | |
| CBE | CBC | sing | 1.48Å | 1.40Å | |
| CBE | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CBC | OAE | doub | 1.21Å | 1.26Å | |
| CBC | CBA | sing | 1.50Å | 1.40Å | |
| CBB | OAD | doub | 1.22Å | 1.25Å | |
| CBB | NAT | sing | 1.34Å | 1.35Å | |
| NAT | CBA | sing | 1.34Å | 1.36Å | |
| CBA | OAC | doub | 1.21Å | 1.26Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAN | CAN | CAO | 108.6° | 109.5° |
| FAN | CAN | HAN | 109.8° | 109.5° |
| FAN | CAN | HANA | 110.0° | 109.5° |
| CAN | CAO | OAU | 109.6° | 109.5° |
| CAO | CAN | HAN | 109.8° | 109.5° |
| CAO | CAN | HANA | 110.0° | 109.4° |
| CAN | CAO | HAO | 109.4° | 109.5° |
| CAN | CAO | HAOA | 109.4° | 109.4° |
| CAO | OAU | CAZ | 122.5° | 117.0° |
| OAU | CAO | HAO | 109.4° | 109.5° |
| OAU | CAO | HAOA | 109.4° | 109.5° |
| OAU | CAZ | CAI | 119.0° | 120.0° |
| OAU | CAZ | CAL | 120.8° | 120.0° |
| CAI | CAZ | CAL | 120.2° | 120.0° |
| CAZ | CAI | CAG | 120.9° | 120.0° |
| CAZ | CAI | HAI | 119.6° | 120.0° |
| CAZ | CAL | CAX | 119.7° | 119.9° |
| CAZ | CAL | HAL | 120.2° | 120.1° |
| CAI | CAG | CAH | 118.7° | 120.2° |
| CAG | CAI | HAI | 119.5° | 120.0° |
| CAI | CAG | HAG | 120.6° | 119.9° |
| CAG | CAH | CAX | 121.3° | 120.0° |
| CAH | CAG | HAG | 120.6° | 119.9° |
| CAG | CAH | HAH | 119.4° | 120.0° |
| CAH | CAX | CAL | 119.3° | 119.9° |
| CAH | CAX | NAR | 119.3° | 120.0° |
| CAX | CAH | HAH | 119.4° | 120.0° |
| CAL | CAX | NAR | 121.4° | 120.1° |
| CAX | CAL | HAL | 120.2° | 120.0° |
| CAX | NAR | CAV | 120.3° | 120.0° |
| CAX | NAR | HNAR | 119.8° | 120.0° |
| NAR | CAV | OAA | 125.8° | 120.0° |
| NAR | CAV | CAP | 115.9° | 120.0° |
| CAV | NAR | HNAR | 119.8° | 120.0° |
| OAA | CAV | CAP | 118.3° | 120.0° |
| CAV | CAP | CAQ | 112.4° | 109.5° |
| CAV | CAP | HAP | 108.5° | 109.5° |
| CAV | CAP | HAPA | 107.8° | 109.4° |
| CAP | CAQ | CAW | 114.8° | 109.5° |
| CAQ | CAP | HAP | 108.5° | 109.5° |
| CAQ | CAP | HAPA | 107.8° | 109.5° |
| CAP | CAQ | HAQ | 107.7° | 109.5° |
| CAP | CAQ | HAQA | 106.5° | 109.5° |
| CAQ | CAW | OAB | 121.8° | 120.0° |
| CAQ | CAW | NAS | 116.2° | 120.0° |
| CAW | CAQ | HAQ | 107.7° | 109.5° |
| CAW | CAQ | HAQA | 106.5° | 109.4° |
| OAB | CAW | NAS | 122.0° | 120.0° |
| CAW | NAS | CAY | 122.8° | 120.0° |
| CAW | NAS | HNAS | 118.6° | 120.0° |
| NAS | CAY | CAJ | 116.6° | 119.9° |
| NAS | CAY | CAM | 122.9° | 119.8° |
| CAY | NAS | HNAS | 118.6° | 120.0° |
| CAJ | CAY | CAM | 120.5° | 120.3° |
| CAY | CAJ | CAK | 120.1° | 120.6° |
| CAY | CAJ | HAJ | 120.0° | 119.7° |
| CAY | CAM | CBE | 119.3° | 119.5° |
| CAY | CAM | HAM | 120.3° | 120.3° |
| CAJ | CAK | CBD | 119.1° | 119.9° |
| CAK | CAJ | HAJ | 119.9° | 119.7° |
| CAJ | CAK | HAK | 120.4° | 120.1° |
| CAK | CBD | CBE | 121.8° | 119.6° |
| CAK | CBD | CBB | 118.4° | 121.1° |
| CBD | CAK | HAK | 120.5° | 120.0° |
| CBE | CBD | CBB | 119.7° | 119.3° |
| CBD | CBE | CBC | 118.8° | 118.2° |
| CBD | CBE | CAM | 119.2° | 120.2° |
| CBD | CBB | OAD | 117.7° | 119.2° |
| CBD | CBB | NAT | 121.2° | 121.5° |
| CBC | CBE | CAM | 122.0° | 121.6° |
| CBE | CBC | OAE | 121.7° | 121.1° |
| CBE | CBC | CBA | 118.9° | 117.8° |
| CBE | CAM | HAM | 120.4° | 120.2° |
| OAE | CBC | CBA | 119.4° | 121.1° |
| CBC | CBA | NAT | 121.0° | 120.3° |
| CBC | CBA | OAC | 119.0° | 119.9° |
| OAD | CBB | NAT | 121.1° | 119.3° |
| CBB | NAT | CBA | 120.3° | 122.9° |
| CBB | NAT | HNAT | 119.9° | 118.5° |
| NAT | CBA | OAC | 120.0° | 119.8° |
| CBA | NAT | HNAT | 119.8° | 118.6° |
| HAN | CAN | HANA | 108.7° | 109.5° |
| HAO | CAO | HAOA | 109.6° | 109.5° |
| HAP | CAP | HAPA | 111.8° | 109.5° |
| HAQ | CAQ | HAQA | 113.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAN | CAN | CAO | HAN | 120.0° | 120.1° |
| FAN | CAN | CAO | HANA | 120.4° | 120.0° |
| FAN | CAN | CAO | OAU | 98.9° | 65.0° |
| FAN | CAN | HAN | HANA | 120.4° | 120.0° |
| FAN | CAN | CAO | HAO | 141.1° | 175.0° |
| FAN | CAN | CAO | HAOA | 21.0° | 55.0° |
| CAN | CAO | OAU | HAO | 120.0° | 120.0° |
| CAN | CAO | OAU | HAOA | 119.9° | 120.0° |
| CAN | CAO | OAU | CAZ | 140.3° | 180.0° |
| CAO | CAN | HAN | HANA | 120.4° | 119.9° |
| CAN | CAO | HAO | HAOA | 120.0° | 120.0° |
| CAO | OAU | CAZ | CAI | 18.9° | 0.0° |
| CAO | OAU | CAZ | CAL | 161.3° | 179.7° |
| OAU | CAO | CAN | HAN | 21.1° | 55.0° |
| OAU | CAO | CAN | HANA | 140.7° | 175.0° |
| OAU | CAO | HAO | HAOA | 120.0° | 120.1° |
| OAU | CAZ | CAI | CAL | 179.8° | 179.7° |
| OAU | CAZ | CAI | CAG | 179.3° | 180.0° |
| OAU | CAZ | CAL | CAX | 179.1° | 179.8° |
| CAZ | OAU | CAO | HAO | 20.3° | 60.0° |
| CAZ | OAU | CAO | HAOA | 99.7° | 60.0° |
| OAU | CAZ | CAI | HAI | 0.7° | 0.1° |
| OAU | CAZ | CAL | HAL | 0.8° | 0.0° |
| CAZ | CAI | CAG | HAI | 180.0° | 179.9° |
| CAZ | CAI | CAG | CAH | 0.4° | 0.1° |
| CAI | CAZ | CAL | CAX | 1.1° | 0.5° |
| CAZ | CAI | CAG | HAG | 179.6° | 180.0° |
| CAI | CAZ | CAL | HAL | 179.0° | 179.7° |
| CAL | CAZ | CAI | CAG | 0.9° | 0.3° |
| CAZ | CAL | CAX | CAH | 0.7° | 0.5° |
| CAZ | CAL | CAX | HAL | 180.0° | 179.8° |
| CAZ | CAL | CAX | NAR | 178.9° | 179.7° |
| CAL | CAZ | CAI | HAI | 179.1° | 179.8° |
| CAI | CAG | CAH | HAG | 180.0° | 180.0° |
| CAI | CAG | CAH | CAX | 0.1° | 0.1° |
| CAI | CAG | CAH | HAH | 179.9° | 180.0° |
| CAG | CAH | CAX | HAH | 180.0° | 179.9° |
| CAG | CAH | CAX | CAL | 0.2° | 0.3° |
| CAG | CAH | CAX | NAR | 179.4° | 179.9° |
| CAH | CAG | CAI | HAI | 179.6° | 179.9° |
| CAH | CAX | CAL | NAR | 179.6° | 179.8° |
| CAH | CAX | NAR | CAV | 6.3° | 33.5° |
| CAX | CAH | CAG | HAG | 179.9° | 180.0° |
| CAH | CAX | CAL | HAL | 179.3° | 179.7° |
| CAH | CAX | NAR | HNAR | 173.7° | 146.6° |
| CAL | CAX | NAR | CAV | 174.1° | 146.3° |
| CAL | CAX | CAH | HAH | 179.7° | 179.8° |
| CAL | CAX | NAR | HNAR | 5.8° | 33.7° |
| CAX | NAR | CAV | HNAR | 180.0° | 180.0° |
| CAX | NAR | CAV | OAA | 15.1° | 5.1° |
| CAX | NAR | CAV | CAP | 165.2° | 174.9° |
| NAR | CAX | CAH | HAH | 0.7° | 0.0° |
| NAR | CAX | CAL | HAL | 1.1° | 0.1° |
| NAR | CAV | OAA | CAP | 179.7° | 180.0° |
| NAR | CAV | CAP | CAQ | 150.0° | 180.0° |
| NAR | CAV | CAP | HAP | 30.0° | 60.0° |
| NAR | CAV | CAP | HAPA | 91.3° | 60.0° |
| OAA | CAV | CAP | CAQ | 30.3° | 0.0° |
| OAA | CAV | NAR | HNAR | 164.9° | 174.9° |
| OAA | CAV | CAP | HAP | 150.3° | 120.0° |
| OAA | CAV | CAP | HAPA | 88.4° | 120.0° |
| CAV | CAP | CAQ | HAP | 120.0° | 120.0° |
| CAV | CAP | CAQ | HAPA | 118.7° | 120.0° |
| CAV | CAP | CAQ | CAW | 56.0° | 180.0° |
| CAP | CAV | NAR | HNAR | 14.8° | 5.1° |
| CAV | CAP | HAP | HAPA | 118.8° | 120.0° |
| CAV | CAP | CAQ | HAQ | 64.0° | 60.0° |
| CAV | CAP | CAQ | HAQA | 173.6° | 60.0° |
| CAP | CAQ | CAW | HAQ | 120.0° | 120.0° |
| CAP | CAQ | CAW | HAQA | 117.6° | 120.0° |
| CAP | CAQ | CAW | OAB | 52.5° | 0.0° |
| CAP | CAQ | CAW | NAS | 128.2° | 180.0° |
| CAQ | CAP | HAP | HAPA | 118.8° | 120.0° |
| CAP | CAQ | HAQ | HAQA | 117.8° | 120.0° |
| CAQ | CAW | OAB | NAS | 179.2° | 180.0° |
| CAQ | CAW | NAS | CAY | 2.1° | 175.4° |
| CAW | CAQ | CAP | HAP | 176.0° | 60.0° |
| CAW | CAQ | CAP | HAPA | 62.7° | 60.0° |
| CAW | CAQ | HAQ | HAQA | 117.8° | 120.0° |
| CAQ | CAW | NAS | HNAS | 177.9° | 4.6° |
| OAB | CAW | NAS | CAY | 178.6° | 4.6° |
| OAB | CAW | CAQ | HAQ | 172.5° | 120.0° |
| OAB | CAW | CAQ | HAQA | 65.1° | 120.0° |
| OAB | CAW | NAS | HNAS | 1.4° | 175.4° |
| CAW | NAS | CAY | HNAS | 180.0° | 179.9° |
| CAW | NAS | CAY | CAJ | 131.2° | 144.5° |
| CAW | NAS | CAY | CAM | 47.9° | 35.9° |
| NAS | CAW | CAQ | HAQ | 8.2° | 60.0° |
| NAS | CAW | CAQ | HAQA | 114.2° | 60.0° |
| NAS | CAY | CAJ | CAM | 179.1° | 179.7° |
| NAS | CAY | CAJ | CAK | 179.6° | 180.0° |
| NAS | CAY | CAM | CBE | 179.6° | 179.8° |
| NAS | CAY | CAJ | HAJ | 0.4° | 0.1° |
| NAS | CAY | CAM | HAM | 0.4° | 0.1° |
| CAY | CAJ | CAK | HAJ | 180.0° | 179.9° |
| CAY | CAJ | CAK | CBD | 0.1° | 0.1° |
| CAJ | CAY | CAM | CBE | 0.5° | 0.5° |
| CAJ | CAY | NAS | HNAS | 48.8° | 35.5° |
| CAY | CAJ | CAK | HAK | 179.9° | 179.9° |
| CAJ | CAY | CAM | HAM | 179.5° | 179.7° |
| CAM | CAY | CAJ | CAK | 0.4° | 0.4° |
| CAY | CAM | CBE | CBD | 0.1° | 0.5° |
| CAY | CAM | CBE | CBC | 179.5° | 179.8° |
| CAY | CAM | CBE | HAM | 180.0° | 179.7° |
| CAM | CAY | NAS | HNAS | 132.1° | 144.2° |
| CAM | CAY | CAJ | HAJ | 179.6° | 179.8° |
| CAJ | CAK | CBD | HAK | 180.0° | 179.9° |
| CAJ | CAK | CBD | CBE | 0.4° | 0.1° |
| CAJ | CAK | CBD | CBB | 179.8° | 180.0° |
| CAK | CBD | CBE | CBB | 179.4° | 180.0° |
| CAK | CBD | CBE | CBC | 180.0° | 180.0° |
| CAK | CBD | CBE | CAM | 0.3° | 0.3° |
| CAK | CBD | CBB | OAD | 0.3° | 0.1° |
| CAK | CBD | CBB | NAT | 179.6° | 180.0° |
| CBD | CAK | CAJ | HAJ | 180.0° | 180.0° |
| CBD | CBE | CBC | CAM | 179.6° | 179.7° |
| CBD | CBE | CBC | OAE | 179.7° | 180.0° |
| CBD | CBE | CBC | CBA | 0.2° | 0.0° |
| CBE | CBD | CBB | OAD | 179.7° | 180.0° |
| CBE | CBD | CBB | NAT | 0.9° | 0.1° |
| CBE | CBD | CAK | HAK | 179.6° | 180.0° |
| CBD | CBE | CAM | HAM | 179.9° | 179.8° |
| CBB | CBD | CBE | CBC | 0.6° | 0.0° |
| CBB | CBD | CBE | CAM | 179.7° | 179.8° |
| CBD | CBB | OAD | NAT | 179.4° | 179.9° |
| CBD | CBB | NAT | CBA | 0.4° | 0.0° |
| CBB | CBD | CAK | HAK | 0.1° | 0.0° |
| CBD | CBB | NAT | HNAT | 179.6° | 180.0° |
| CBE | CBC | OAE | CBA | 179.5° | 180.0° |
| CBE | CBC | CBA | NAT | 0.7° | 0.0° |
| CBE | CBC | CBA | OAC | 179.6° | 180.0° |
| CBC | CBE | CAM | HAM | 0.5° | 0.1° |
| CAM | CBE | CBC | OAE | 0.1° | 0.3° |
| CAM | CBE | CBC | CBA | 179.4° | 179.7° |
| OAE | CBC | CBA | NAT | 179.7° | 180.0° |
| OAE | CBC | CBA | OAC | 0.8° | 0.0° |
| CBC | CBA | NAT | CBB | 0.4° | 0.0° |
| CBC | CBA | NAT | OAC | 178.9° | 180.0° |
| CBC | CBA | NAT | HNAT | 179.6° | 180.0° |
| OAD | CBB | NAT | CBA | 179.8° | 180.0° |
| OAD | CBB | NAT | HNAT | 0.2° | 0.1° |
| CBB | NAT | CBA | HNAT | 180.0° | 179.9° |
| CBB | NAT | CBA | OAC | 179.3° | 180.0° |
| OAC | CBA | NAT | HNAT | 0.7° | 0.0° |
| HAN | CAN | CAO | HAO | 98.9° | 65.0° |
| HAN | CAN | CAO | HAOA | 141.0° | 175.0° |
| HANA | CAN | CAO | HAO | 20.7° | 55.0° |
| HANA | CAN | CAO | HAOA | 99.4° | 65.0° |
| HAI | CAI | CAG | HAG | 0.4° | 0.1° |
| HAG | CAG | CAH | HAH | 0.1° | 0.1° |
| HAP | CAP | CAQ | HAQ | 56.0° | 180.0° |
| HAP | CAP | CAQ | HAQA | 66.4° | 60.0° |
| HAPA | CAP | CAQ | HAQ | 177.3° | 60.0° |
| HAPA | CAP | CAQ | HAQA | 54.9° | 180.0° |
| HAJ | CAJ | CAK | HAK | 0.0° | 0.1° |
