RXB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAW | doub | 1.22Å | 1.29Å | |
| CAW | NAP | sing | 1.34Å | 1.37Å | |
| CAW | CAY | sing | 1.47Å | 1.40Å | |
| NAP | CAV | sing | 1.34Å | 1.37Å | |
| CAV | OAD | doub | 1.21Å | 1.26Å | |
| CAV | CAX | sing | 1.50Å | 1.38Å | |
| CAY | CAZ | doub | 1.41Å | 1.43Å | Aromatic |
| CAY | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAX | sing | 1.47Å | 1.42Å | |
| CAZ | CAU | sing | 1.40Å | 1.41Å | Aromatic |
| CAX | OAF | doub | 1.21Å | 1.28Å | |
| CAN | CAJ | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAM | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAU | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | NAO | sing | 1.39Å | 1.39Å | |
| NAO | CAS | sing | 1.35Å | 1.35Å | |
| CAS | OAC | doub | 1.21Å | 1.24Å | |
| CAS | CBA | sing | 1.51Å | 1.52Å | |
| CBA | OAQ | sing | 1.45Å | 1.45Å | |
| CBA | CAT | sing | 1.51Å | 1.52Å | |
| OAQ | CAR | sing | 1.34Å | 1.50Å | |
| CAR | OAB | doub | 1.21Å | 1.25Å | |
| CAR | CAA | sing | 1.51Å | 1.52Å | |
| CAT | CAL | doub | 1.38Å | 1.42Å | Aromatic |
| CAT | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAL | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAH | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAW | NAP | 121.3° | 119.3° |
| OAE | CAW | CAY | 121.7° | 119.3° |
| NAP | CAW | CAY | 117.0° | 121.4° |
| CAW | NAP | CAV | 123.9° | 122.8° |
| CAW | NAP | HNAP | 118.1° | 118.6° |
| CAW | CAY | CAZ | 120.5° | 119.3° |
| CAW | CAY | CAN | 116.3° | 121.3° |
| NAP | CAV | OAD | 122.0° | 119.8° |
| NAP | CAV | CAX | 120.8° | 120.3° |
| CAV | NAP | HNAP | 118.1° | 118.6° |
| OAD | CAV | CAX | 117.2° | 119.8° |
| CAV | CAX | CAZ | 118.2° | 117.9° |
| CAV | CAX | OAF | 115.2° | 121.0° |
| CAZ | CAY | CAN | 123.1° | 119.5° |
| CAY | CAZ | CAX | 119.6° | 118.3° |
| CAY | CAZ | CAU | 119.2° | 120.0° |
| CAY | CAN | CAJ | 116.8° | 120.0° |
| CAY | CAN | HAN | 121.6° | 119.9° |
| CAX | CAZ | CAU | 121.2° | 121.7° |
| CAZ | CAX | OAF | 126.6° | 121.1° |
| CAZ | CAU | CAM | 116.5° | 119.4° |
| CAZ | CAU | NAO | 123.8° | 120.3° |
| CAN | CAJ | CAM | 121.3° | 120.8° |
| CAJ | CAN | HAN | 121.6° | 120.0° |
| CAN | CAJ | HAJ | 119.4° | 119.6° |
| CAJ | CAM | CAU | 123.0° | 120.3° |
| CAM | CAJ | HAJ | 119.4° | 119.6° |
| CAJ | CAM | HAM | 118.5° | 119.8° |
| CAM | CAU | NAO | 119.7° | 120.3° |
| CAU | CAM | HAM | 118.5° | 119.8° |
| CAU | NAO | CAS | 119.7° | 120.0° |
| CAU | NAO | HNAO | 120.1° | 120.1° |
| NAO | CAS | OAC | 120.6° | 120.0° |
| NAO | CAS | CBA | 126.1° | 120.0° |
| CAS | NAO | HNAO | 120.1° | 119.9° |
| OAC | CAS | CBA | 113.2° | 120.0° |
| CAS | CBA | OAQ | 113.3° | 109.5° |
| CAS | CBA | CAT | 104.5° | 109.5° |
| CAS | CBA | HBA | 117.3° | 109.5° |
| OAQ | CBA | CAT | 123.9° | 109.5° |
| CBA | OAQ | CAR | 126.4° | 117.0° |
| OAQ | CBA | HBA | 93.5° | 109.4° |
| CBA | CAT | CAL | 122.3° | 120.0° |
| CBA | CAT | CAK | 119.3° | 120.0° |
| CAT | CBA | HBA | 104.4° | 109.5° |
| OAQ | CAR | OAB | 116.4° | 120.1° |
| OAQ | CAR | CAA | 125.8° | 120.0° |
| OAB | CAR | CAA | 117.8° | 119.9° |
| CAR | CAA | HAA | 109.5° | 109.5° |
| CAR | CAA | HAAA | 109.5° | 109.4° |
| CAR | CAA | HAAB | 109.5° | 109.4° |
| CAL | CAT | CAK | 118.3° | 119.9° |
| CAT | CAL | CAI | 121.8° | 120.0° |
| CAT | CAL | HAL | 119.1° | 120.0° |
| CAT | CAK | CAH | 120.4° | 120.1° |
| CAT | CAK | HAK | 119.8° | 120.0° |
| CAL | CAI | CAG | 118.6° | 120.0° |
| CAI | CAL | HAL | 119.1° | 120.0° |
| CAL | CAI | HAI | 120.7° | 120.0° |
| CAI | CAG | CAH | 120.1° | 120.0° |
| CAG | CAI | HAI | 120.7° | 120.0° |
| CAI | CAG | HAG | 120.0° | 120.0° |
| CAG | CAH | CAK | 120.9° | 120.0° |
| CAH | CAG | HAG | 119.9° | 120.0° |
| CAG | CAH | HAH | 119.5° | 120.0° |
| CAK | CAH | HAH | 119.5° | 120.0° |
| CAH | CAK | HAK | 119.8° | 120.0° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAW | NAP | CAY | 179.7° | 179.7° |
| OAE | CAW | NAP | CAV | 179.8° | 180.0° |
| OAE | CAW | CAY | CAZ | 179.9° | 180.0° |
| OAE | CAW | CAY | CAN | 0.1° | 0.0° |
| OAE | CAW | NAP | HNAP | 0.2° | 0.0° |
| CAW | NAP | CAV | HNAP | 180.0° | 180.0° |
| CAW | NAP | CAV | OAD | 179.7° | 180.0° |
| CAW | NAP | CAV | CAX | 0.0° | 0.0° |
| NAP | CAW | CAY | CAZ | 0.2° | 0.3° |
| NAP | CAW | CAY | CAN | 179.6° | 179.7° |
| CAY | CAW | NAP | CAV | 0.1° | 0.3° |
| CAW | CAY | CAZ | CAN | 179.8° | 180.0° |
| CAW | CAY | CAZ | CAX | 0.2° | 0.1° |
| CAW | CAY | CAZ | CAU | 180.0° | 180.0° |
| CAW | CAY | CAN | CAJ | 179.4° | 180.0° |
| CAY | CAW | NAP | HNAP | 179.9° | 179.7° |
| CAW | CAY | CAN | HAN | 0.6° | 0.1° |
| NAP | CAV | OAD | CAX | 179.7° | 180.0° |
| NAP | CAV | CAX | CAZ | 0.1° | 0.2° |
| NAP | CAV | CAX | OAF | 179.8° | 180.0° |
| OAD | CAV | CAX | CAZ | 179.8° | 179.8° |
| OAD | CAV | CAX | OAF | 0.5° | 0.0° |
| OAD | CAV | NAP | HNAP | 0.3° | 0.0° |
| CAV | CAX | CAZ | CAY | 0.0° | 0.1° |
| CAV | CAX | CAZ | OAF | 179.7° | 179.8° |
| CAV | CAX | CAZ | CAU | 179.9° | 179.8° |
| CAX | CAV | NAP | HNAP | 180.0° | 179.9° |
| CAY | CAZ | CAX | CAU | 179.9° | 179.9° |
| CAY | CAZ | CAX | OAF | 179.7° | 179.9° |
| CAZ | CAY | CAN | CAJ | 0.4° | 0.1° |
| CAY | CAZ | CAU | CAM | 0.4° | 0.0° |
| CAY | CAZ | CAU | NAO | 179.0° | 180.0° |
| CAZ | CAY | CAN | HAN | 179.6° | 180.0° |
| CAN | CAY | CAZ | CAX | 179.6° | 179.9° |
| CAN | CAY | CAZ | CAU | 0.3° | 0.0° |
| CAY | CAN | CAJ | HAN | 180.0° | 179.9° |
| CAY | CAN | CAJ | CAM | 0.9° | 0.0° |
| CAY | CAN | CAJ | HAJ | 179.1° | 180.0° |
| CAX | CAZ | CAU | CAM | 179.4° | 179.9° |
| CAX | CAZ | CAU | NAO | 1.1° | 0.2° |
| CAU | CAZ | CAX | OAF | 0.2° | 0.1° |
| CAZ | CAU | CAM | CAJ | 0.0° | 0.0° |
| CAZ | CAU | CAM | NAO | 179.5° | 179.9° |
| CAZ | CAU | NAO | CAS | 60.4° | 145.0° |
| CAZ | CAU | CAM | HAM | 180.0° | 180.0° |
| CAZ | CAU | NAO | HNAO | 119.5° | 34.9° |
| CAN | CAJ | CAM | HAJ | 180.0° | 180.0° |
| CAN | CAJ | CAM | CAU | 0.7° | 0.0° |
| CAN | CAJ | CAM | HAM | 179.3° | 180.0° |
| CAJ | CAM | CAU | HAM | 180.0° | 180.0° |
| CAJ | CAM | CAU | NAO | 179.5° | 179.9° |
| CAM | CAJ | CAN | HAN | 179.1° | 180.0° |
| CAM | CAU | NAO | CAS | 119.0° | 35.1° |
| CAU | CAM | CAJ | HAJ | 179.3° | 180.0° |
| CAM | CAU | NAO | HNAO | 61.1° | 145.0° |
| CAU | NAO | CAS | HNAO | 180.0° | 179.9° |
| CAU | NAO | CAS | OAC | 20.4° | 4.6° |
| CAU | NAO | CAS | CBA | 163.0° | 175.4° |
| NAO | CAU | CAM | HAM | 0.5° | 0.0° |
| NAO | CAS | OAC | CBA | 177.1° | 180.0° |
| NAO | CAS | CBA | OAQ | 32.8° | 175.0° |
| NAO | CAS | CBA | CAT | 104.8° | 65.0° |
| NAO | CAS | CBA | HBA | 140.1° | 55.0° |
| OAC | CAS | CBA | OAQ | 150.3° | 5.0° |
| OAC | CAS | CBA | CAT | 72.0° | 115.0° |
| OAC | CAS | NAO | HNAO | 159.6° | 175.4° |
| OAC | CAS | CBA | HBA | 43.0° | 125.0° |
| CAS | CBA | OAQ | CAT | 128.2° | 120.0° |
| CAS | CBA | OAQ | HBA | 121.8° | 120.0° |
| CAS | CBA | CAT | HBA | 123.8° | 120.1° |
| CAS | CBA | OAQ | CAR | 132.8° | 89.9° |
| CAS | CBA | CAT | CAL | 162.1° | 100.0° |
| CAS | CBA | CAT | CAK | 13.4° | 80.3° |
| CBA | CAS | NAO | HNAO | 17.1° | 4.6° |
| OAQ | CBA | CAT | HBA | 104.4° | 119.9° |
| CBA | OAQ | CAR | OAB | 158.2° | 0.1° |
| CBA | OAQ | CAR | CAA | 23.6° | 180.0° |
| OAQ | CBA | CAT | CAL | 66.1° | 140.0° |
| OAQ | CBA | CAT | CAK | 118.5° | 39.7° |
| CAT | CBA | OAQ | CAR | 4.6° | 150.0° |
| CBA | CAT | CAL | CAK | 175.5° | 179.7° |
| CBA | CAT | CAL | CAI | 177.4° | 180.0° |
| CBA | CAT | CAK | CAH | 176.6° | 179.8° |
| CBA | CAT | CAL | HAL | 2.5° | 0.0° |
| CBA | CAT | CAK | HAK | 3.4° | 0.0° |
| OAQ | CAR | OAB | CAA | 178.3° | 179.9° |
| CAR | OAQ | CBA | HBA | 105.4° | 30.1° |
| OAQ | CAR | CAA | HAA | 131.3° | 89.9° |
| OAQ | CAR | CAA | HAAA | 108.8° | 150.0° |
| OAQ | CAR | CAA | HAAB | 11.3° | 30.0° |
| OAB | CAR | CAA | HAA | 50.6° | 90.0° |
| OAB | CAR | CAA | HAAA | 69.4° | 30.1° |
| OAB | CAR | CAA | HAAB | 170.6° | 150.0° |
| CAR | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAR | CAA | HAA | HAAB | 120.0° | 119.9° |
| CAR | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAT | CAL | CAI | HAL | 180.0° | 180.0° |
| CAT | CAL | CAI | CAG | 1.7° | 0.0° |
| CAL | CAT | CAK | CAH | 0.9° | 0.5° |
| CAL | CAT | CBA | HBA | 38.3° | 20.0° |
| CAT | CAL | CAI | HAI | 178.3° | 180.0° |
| CAL | CAT | CAK | HAK | 179.0° | 179.7° |
| CAK | CAT | CAL | CAI | 1.9° | 0.3° |
| CAT | CAK | CAH | CAG | 0.2° | 0.4° |
| CAT | CAK | CAH | HAK | 180.0° | 179.8° |
| CAK | CAT | CBA | HBA | 137.2° | 159.7° |
| CAK | CAT | CAL | HAL | 178.0° | 179.7° |
| CAT | CAK | CAH | HAH | 179.8° | 179.7° |
| CAL | CAI | CAG | HAI | 180.0° | 180.0° |
| CAL | CAI | CAG | CAH | 0.5° | 0.0° |
| CAL | CAI | CAG | HAG | 179.5° | 180.0° |
| CAI | CAG | CAH | HAG | 180.0° | 180.0° |
| CAI | CAG | CAH | CAK | 0.5° | 0.2° |
| CAG | CAI | CAL | HAL | 178.3° | 180.0° |
| CAI | CAG | CAH | HAH | 179.5° | 180.0° |
| CAG | CAH | CAK | HAH | 180.0° | 179.9° |
| CAH | CAG | CAI | HAI | 179.5° | 179.9° |
| CAG | CAH | CAK | HAK | 179.8° | 179.8° |
| CAK | CAH | CAG | HAG | 179.5° | 179.8° |
| HAN | CAN | CAJ | HAJ | 0.9° | 0.0° |
| HAJ | CAJ | CAM | HAM | 0.7° | 0.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAL | CAL | CAI | HAI | 1.7° | 0.0° |
| HAI | CAI | CAG | HAG | 0.5° | 0.0° |
| HAG | CAG | CAH | HAH | 0.5° | 0.1° |
| HAH | CAH | CAK | HAK | 0.2° | 0.1° |
