RJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAQ | doub | 1.21Å | 1.24Å | |
| CAR | OAB | sing | 1.34Å | 1.25Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAR | OAC | doub | 1.21Å | 1.24Å | |
| OAD | CAU | sing | 1.43Å | 1.44Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | CAV | doub | 1.21Å | 1.36Å | |
| OAF | CAW | sing | 1.43Å | 1.51Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAH | CAG | sing | 1.53Å | 1.50Å | |
| CAG | CAQ | sing | 1.51Å | 1.53Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAS | CAH | sing | 1.51Å | 1.49Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAW | CAI | sing | 1.50Å | 1.52Å | |
| CAS | CAI | doub | 1.33Å | 1.37Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAN | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAT | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAT | CAN | sing | 1.39Å | 1.41Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAU | CAO | sing | 1.53Å | 1.55Å | |
| CAO | CAW | sing | 1.53Å | 1.51Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAQ | NAP | sing | 1.35Å | 1.36Å | |
| NAP | CAT | sing | 1.40Å | 1.41Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAW | CAR | sing | 1.51Å | 1.50Å | |
| CAV | CAS | sing | 1.47Å | 1.34Å | |
| CAU | CAV | sing | 1.51Å | 1.51Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAQ | CAG | 120.4° | 120.0° |
| OAA | CAQ | NAP | 126.0° | 120.0° |
| CAR | OAB | HOAB | 109.5° | 117.0° |
| OAB | CAR | OAC | 122.4° | 120.0° |
| OAB | CAR | CAW | 116.8° | 120.0° |
| OAC | CAR | CAW | 120.8° | 120.0° |
| CAU | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAU | CAO | 113.4° | 109.9° |
| OAD | CAU | CAV | 113.7° | 110.0° |
| OAD | CAU | HAU | 103.6° | 109.9° |
| OAE | CAV | CAS | 118.5° | 121.1° |
| OAE | CAV | CAU | 119.7° | 121.2° |
| CAW | OAF | HOAF | 109.5° | 114.0° |
| OAF | CAW | CAI | 109.5° | 109.1° |
| OAF | CAW | CAO | 109.0° | 109.1° |
| OAF | CAW | CAR | 108.2° | 109.1° |
| CAH | CAG | CAQ | 110.7° | 109.5° |
| CAH | CAG | HAG | 109.0° | 109.5° |
| CAH | CAG | HAGA | 109.1° | 109.4° |
| CAG | CAH | CAS | 113.8° | 109.5° |
| CAG | CAH | HAH | 108.0° | 109.5° |
| CAG | CAH | HAHA | 108.0° | 109.5° |
| CAQ | CAG | HAG | 109.1° | 109.5° |
| CAQ | CAG | HAGA | 109.0° | 109.5° |
| CAG | CAQ | NAP | 113.5° | 120.0° |
| HAG | CAG | HAGA | 109.9° | 109.5° |
| CAS | CAH | HAH | 108.0° | 109.5° |
| CAS | CAH | HAHA | 108.1° | 109.5° |
| CAH | CAS | CAI | 121.4° | 119.7° |
| CAH | CAS | CAV | 114.7° | 119.7° |
| HAH | CAH | HAHA | 110.9° | 109.4° |
| CAW | CAI | CAS | 120.2° | 123.2° |
| CAW | CAI | HAI | 119.9° | 118.4° |
| CAI | CAW | CAO | 108.5° | 111.2° |
| CAI | CAW | CAR | 111.5° | 109.1° |
| CAS | CAI | HAI | 119.9° | 118.4° |
| CAI | CAS | CAV | 123.5° | 120.6° |
| CAK | CAJ | CAL | 123.2° | 120.2° |
| CAK | CAJ | HAJ | 118.4° | 119.9° |
| CAJ | CAK | CAM | 118.7° | 120.1° |
| CAJ | CAK | HAK | 120.6° | 120.0° |
| CAL | CAJ | HAJ | 118.4° | 119.9° |
| CAJ | CAL | CAN | 116.8° | 120.0° |
| CAJ | CAL | HAL | 121.6° | 120.0° |
| CAM | CAK | HAK | 120.7° | 120.0° |
| CAK | CAM | CAT | 119.6° | 119.9° |
| CAK | CAM | HAM | 120.2° | 120.0° |
| CAN | CAL | HAL | 121.6° | 120.0° |
| CAL | CAN | CAT | 121.6° | 119.9° |
| CAL | CAN | HAN | 119.2° | 120.0° |
| CAT | CAM | HAM | 120.2° | 120.0° |
| CAM | CAT | CAN | 120.2° | 119.9° |
| CAM | CAT | NAP | 121.4° | 120.1° |
| CAT | CAN | HAN | 119.2° | 120.1° |
| CAN | CAT | NAP | 118.5° | 120.0° |
| CAU | CAO | CAW | 109.5° | 109.0° |
| CAU | CAO | HAO | 109.4° | 109.5° |
| CAU | CAO | HAOA | 109.4° | 109.6° |
| CAO | CAU | CAV | 109.8° | 107.5° |
| CAO | CAU | HAU | 108.0° | 109.9° |
| CAW | CAO | HAO | 109.5° | 109.5° |
| CAW | CAO | HAOA | 109.5° | 109.5° |
| CAO | CAW | CAR | 110.2° | 109.2° |
| HAO | CAO | HAOA | 109.5° | 109.6° |
| CAQ | NAP | CAT | 127.7° | 120.0° |
| CAQ | NAP | HNAP | 116.1° | 120.0° |
| CAT | NAP | HNAP | 116.2° | 120.0° |
| CAS | CAV | CAU | 120.0° | 117.7° |
| CAV | CAU | HAU | 107.7° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAQ | CAG | CAH | 33.4° | 0.0° |
| OAA | CAQ | CAG | NAP | 176.3° | 180.0° |
| OAA | CAQ | CAG | HAG | 153.4° | 120.0° |
| OAA | CAQ | CAG | HAGA | 86.6° | 120.0° |
| OAA | CAQ | NAP | CAT | 3.1° | 5.3° |
| OAA | CAQ | NAP | HNAP | 176.9° | 174.7° |
| OAB | CAR | OAC | CAW | 177.3° | 179.9° |
| OAB | CAR | CAW | OAF | 54.2° | 35.0° |
| OAB | CAR | CAW | CAI | 66.2° | 84.1° |
| OAB | CAR | CAW | CAO | 173.2° | 154.2° |
| HOAB | OAB | CAR | OAC | 0.0° | 0.1° |
| HOAB | OAB | CAR | CAW | 177.4° | 180.0° |
| OAC | CAR | CAW | OAF | 123.2° | 145.1° |
| OAC | CAR | CAW | CAI | 116.3° | 95.8° |
| OAC | CAR | CAW | CAO | 4.2° | 25.9° |
| OAD | CAU | CAV | OAE | 44.7° | 18.6° |
| OAD | CAU | CAO | CAV | 128.5° | 119.7° |
| OAD | CAU | CAO | HAU | 114.3° | 121.0° |
| OAD | CAU | CAO | CAW | 176.2° | 178.6° |
| OAD | CAU | CAO | HAO | 63.8° | 61.6° |
| OAD | CAU | CAO | HAOA | 56.2° | 58.7° |
| OAD | CAU | CAV | CAS | 150.9° | 161.3° |
| OAD | CAU | CAV | HAU | 114.2° | 121.0° |
| HOAD | OAD | CAU | CAO | 146.1° | 180.0° |
| HOAD | OAD | CAU | CAV | 19.6° | 61.9° |
| HOAD | OAD | CAU | HAU | 97.1° | 59.0° |
| OAE | CAV | CAS | CAH | 17.6° | 11.4° |
| OAE | CAV | CAS | CAI | 155.6° | 168.6° |
| OAE | CAV | CAU | CAO | 173.0° | 138.2° |
| OAE | CAV | CAS | CAU | 164.6° | 180.0° |
| OAE | CAV | CAU | HAU | 69.5° | 102.4° |
| OAF | CAW | CAI | CAO | 118.8° | 120.4° |
| OAF | CAW | CAI | CAR | 119.7° | 119.2° |
| OAF | CAW | CAI | CAS | 91.6° | 98.3° |
| OAF | CAW | CAI | HAI | 88.4° | 81.6° |
| OAF | CAW | CAO | CAU | 62.5° | 67.7° |
| OAF | CAW | CAO | CAR | 118.5° | 119.2° |
| OAF | CAW | CAO | HAO | 177.6° | 172.5° |
| OAF | CAW | CAO | HAOA | 57.5° | 52.3° |
| HOAF | OAF | CAW | CAI | 180.0° | 58.4° |
| HOAF | OAF | CAW | CAO | 61.5° | 180.0° |
| HOAF | OAF | CAW | CAR | 58.3° | 60.8° |
| CAH | CAG | CAQ | HAG | 120.0° | 120.0° |
| CAH | CAG | CAQ | HAGA | 120.0° | 120.0° |
| CAH | CAG | HAG | HAGA | 119.5° | 120.0° |
| CAG | CAH | CAS | HAH | 120.0° | 120.0° |
| CAG | CAH | CAS | HAHA | 120.0° | 120.1° |
| CAG | CAH | HAH | HAHA | 118.2° | 120.0° |
| CAG | CAH | CAS | CAI | 7.2° | 95.0° |
| CAH | CAG | CAQ | NAP | 150.3° | 180.0° |
| CAG | CAH | CAS | CAV | 179.4° | 85.0° |
| CAQ | CAG | HAG | HAGA | 119.5° | 120.0° |
| CAQ | CAG | CAH | CAS | 158.2° | 180.0° |
| CAQ | CAG | CAH | HAH | 38.2° | 60.0° |
| CAQ | CAG | CAH | HAHA | 81.8° | 59.9° |
| CAG | CAQ | NAP | CAT | 179.1° | 174.7° |
| CAG | CAQ | NAP | HNAP | 0.9° | 5.3° |
| HAG | CAG | CAH | CAS | 38.2° | 60.0° |
| HAG | CAG | CAH | HAH | 81.8° | 60.0° |
| HAG | CAG | CAH | HAHA | 158.2° | 180.0° |
| HAG | CAG | CAQ | NAP | 30.3° | 60.0° |
| HAGA | CAG | CAH | CAS | 81.8° | 60.0° |
| HAGA | CAG | CAH | HAH | 158.2° | 180.0° |
| HAGA | CAG | CAH | HAHA | 38.2° | 60.0° |
| HAGA | CAG | CAQ | NAP | 89.7° | 60.0° |
| CAS | CAH | HAH | HAHA | 118.3° | 120.0° |
| CAH | CAS | CAI | CAW | 179.5° | 179.4° |
| CAH | CAS | CAI | CAV | 172.8° | 180.0° |
| CAH | CAS | CAI | HAI | 0.5° | 0.5° |
| CAH | CAS | CAV | CAU | 177.8° | 168.6° |
| HAH | CAH | CAS | CAI | 127.2° | 25.0° |
| HAH | CAH | CAS | CAV | 59.4° | 155.0° |
| HAHA | CAH | CAS | CAI | 112.8° | 145.0° |
| HAHA | CAH | CAS | CAV | 60.6° | 35.0° |
| CAW | CAI | CAS | HAI | 180.0° | 179.9° |
| CAI | CAW | CAO | CAU | 56.7° | 52.7° |
| CAI | CAW | CAO | CAR | 122.3° | 120.4° |
| CAI | CAW | CAO | HAO | 63.3° | 67.2° |
| CAI | CAW | CAO | HAOA | 176.7° | 172.7° |
| CAW | CAI | CAS | CAV | 6.7° | 0.6° |
| CAS | CAI | CAW | CAO | 27.2° | 22.1° |
| CAS | CAI | CAW | CAR | 148.8° | 142.6° |
| CAI | CAS | CAV | CAU | 8.9° | 11.4° |
| HAI | CAI | CAW | CAO | 152.8° | 158.0° |
| HAI | CAI | CAW | CAR | 31.2° | 37.6° |
| HAI | CAI | CAS | CAV | 173.3° | 179.5° |
| CAK | CAJ | CAL | HAJ | 180.0° | 179.7° |
| CAJ | CAK | CAM | HAK | 180.0° | 180.0° |
| CAK | CAJ | CAL | CAN | 0.9° | 0.3° |
| CAK | CAJ | CAL | HAL | 179.1° | 179.7° |
| CAJ | CAK | CAM | CAT | 0.1° | 0.0° |
| CAJ | CAK | CAM | HAM | 179.9° | 179.9° |
| CAL | CAJ | CAK | CAM | 1.7° | 0.0° |
| CAL | CAJ | CAK | HAK | 178.3° | 180.0° |
| CAJ | CAL | CAN | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAN | CAT | 1.4° | 0.5° |
| CAJ | CAL | CAN | HAN | 178.6° | 180.0° |
| HAJ | CAJ | CAK | CAM | 178.3° | 179.7° |
| HAJ | CAJ | CAK | HAK | 1.7° | 0.3° |
| HAJ | CAJ | CAL | CAN | 179.1° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.9° | 0.0° |
| CAK | CAM | CAT | HAM | 180.0° | 179.9° |
| CAK | CAM | CAT | CAN | 2.1° | 0.2° |
| CAK | CAM | CAT | NAP | 179.0° | 180.0° |
| HAK | CAK | CAM | CAT | 179.9° | 180.0° |
| HAK | CAK | CAM | HAM | 0.1° | 0.1° |
| CAL | CAN | CAT | CAM | 2.9° | 0.5° |
| CAL | CAN | CAT | HAN | 180.0° | 179.5° |
| CAL | CAN | CAT | NAP | 178.1° | 179.7° |
| HAL | CAL | CAN | CAT | 178.6° | 179.5° |
| HAL | CAL | CAN | HAN | 1.4° | 0.0° |
| CAM | CAT | CAN | NAP | 178.9° | 179.7° |
| CAM | CAT | CAN | HAN | 177.1° | 180.0° |
| CAM | CAT | NAP | CAQ | 11.4° | 33.3° |
| CAM | CAT | NAP | HNAP | 168.6° | 146.8° |
| HAM | CAM | CAT | CAN | 177.9° | 179.7° |
| HAM | CAM | CAT | NAP | 1.0° | 0.1° |
| CAN | CAT | NAP | CAQ | 169.7° | 147.0° |
| CAN | CAT | NAP | HNAP | 10.3° | 33.0° |
| HAN | CAN | CAT | NAP | 1.9° | 0.3° |
| CAU | CAO | CAW | HAO | 120.0° | 119.8° |
| CAU | CAO | CAW | HAOA | 120.0° | 120.0° |
| CAU | CAO | HAO | HAOA | 120.0° | 120.3° |
| CAU | CAO | CAW | CAR | 179.0° | 173.1° |
| CAO | CAU | CAV | CAS | 22.5° | 41.8° |
| CAO | CAU | CAV | HAU | 117.4° | 119.4° |
| CAW | CAO | HAO | HAOA | 120.0° | 120.1° |
| CAW | CAO | CAU | CAV | 55.3° | 61.8° |
| CAW | CAO | CAU | HAU | 61.9° | 57.6° |
| HAO | CAO | CAW | CAR | 59.0° | 53.3° |
| HAO | CAO | CAU | CAV | 64.7° | 58.1° |
| HAO | CAO | CAU | HAU | 178.1° | 177.4° |
| HAOA | CAO | CAW | CAR | 61.0° | 66.9° |
| HAOA | CAO | CAU | CAV | 175.3° | 178.3° |
| HAOA | CAO | CAU | HAU | 58.1° | 62.3° |
| CAQ | NAP | CAT | HNAP | 180.0° | 180.0° |
| CAS | CAV | CAU | HAU | 94.9° | 77.7° |
