830
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | OAS | sing | 1.36Å | 1.36Å | |
| OAS | CAW | sing | 1.36Å | 1.36Å | |
| CAW | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAP | sing | 1.51Å | 1.53Å | |
| CAP | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAO | NAR | sing | 1.46Å | 1.47Å | |
| NAR | CAT | sing | 1.35Å | 1.33Å | |
| CAT | OAA | doub | 1.21Å | 1.23Å | |
| CAT | CAQ | sing | 1.51Å | 1.53Å | |
| CAQ | PAX | sing | 1.82Å | 1.81Å | |
| PAX | OAC | sing | 1.61Å | 1.61Å | |
| PAX | OAD | sing | 1.61Å | 1.61Å | |
| PAX | OAB | doub | 1.48Å | 1.48Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| 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 | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| OAC | KOAC | sing | 2.36Å | 0.95Å | |
| OAD | KOAD | sing | 2.36Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAJ | CAV | 119.7° | 119.9° |
| CAJ | CAF | CAE | 120.5° | 120.1° |
| CAF | CAJ | HAJ | 120.2° | 120.1° |
| CAJ | CAF | HAF | 119.8° | 119.9° |
| CAJ | CAV | CAK | 119.7° | 119.9° |
| CAJ | CAV | OAS | 121.8° | 120.0° |
| CAV | CAJ | HAJ | 120.1° | 120.0° |
| CAF | CAE | CAG | 120.0° | 120.1° |
| CAE | CAF | HAF | 119.8° | 120.0° |
| CAF | CAE | HAE | 120.0° | 119.9° |
| CAE | CAG | CAK | 119.4° | 120.1° |
| CAG | CAE | HAE | 120.0° | 120.0° |
| CAE | CAG | HAG | 120.2° | 119.9° |
| CAG | CAK | CAV | 120.7° | 119.9° |
| CAK | CAG | HAG | 120.3° | 120.0° |
| CAG | CAK | HAK | 119.6° | 120.1° |
| CAK | CAV | OAS | 118.2° | 120.1° |
| CAV | CAK | HAK | 119.7° | 120.0° |
| CAV | OAS | CAW | 116.2° | 118.0° |
| OAS | CAW | CAM | 119.8° | 120.0° |
| OAS | CAW | CAL | 120.2° | 120.1° |
| CAM | CAW | CAL | 119.7° | 119.9° |
| CAW | CAM | CAU | 120.6° | 119.9° |
| CAW | CAM | HAM | 119.7° | 120.0° |
| CAW | CAL | CAH | 119.7° | 120.0° |
| CAW | CAL | HAL | 120.1° | 120.0° |
| CAM | CAU | CAI | 119.6° | 120.1° |
| CAM | CAU | CAP | 119.9° | 120.0° |
| CAU | CAM | HAM | 119.7° | 120.1° |
| CAL | CAH | CAI | 120.4° | 120.0° |
| CAH | CAL | HAL | 120.2° | 120.0° |
| CAL | CAH | HAH | 119.8° | 120.0° |
| CAH | CAI | CAU | 119.9° | 120.1° |
| CAI | CAH | HAH | 119.8° | 120.0° |
| CAH | CAI | HAI | 120.0° | 119.9° |
| CAI | CAU | CAP | 120.5° | 120.0° |
| CAU | CAI | HAI | 120.0° | 119.9° |
| CAU | CAP | CAN | 112.8° | 109.5° |
| CAU | CAP | HAP | 108.4° | 109.4° |
| CAU | CAP | HAPA | 107.6° | 109.5° |
| CAP | CAN | CAO | 112.3° | 109.5° |
| CAN | CAP | HAP | 108.4° | 109.5° |
| CAN | CAP | HAPA | 107.6° | 109.5° |
| CAP | CAN | HAN | 108.5° | 109.5° |
| CAP | CAN | HANA | 107.9° | 109.4° |
| CAN | CAO | NAR | 108.1° | 109.5° |
| CAO | CAN | HAN | 108.5° | 109.4° |
| CAO | CAN | HANA | 107.9° | 109.5° |
| CAN | CAO | HAO | 109.9° | 109.4° |
| CAN | CAO | HAOA | 110.2° | 109.5° |
| CAO | NAR | CAT | 122.8° | 120.0° |
| NAR | CAO | HAO | 109.9° | 109.5° |
| NAR | CAO | HAOA | 110.2° | 109.5° |
| CAO | NAR | HNAR | 118.6° | 120.0° |
| NAR | CAT | OAA | 124.1° | 120.0° |
| NAR | CAT | CAQ | 114.4° | 120.0° |
| CAT | NAR | HNAR | 118.6° | 120.0° |
| OAA | CAT | CAQ | 121.4° | 120.0° |
| CAT | CAQ | PAX | 113.6° | 109.5° |
| CAT | CAQ | HAQ | 108.1° | 109.5° |
| CAT | CAQ | HAQA | 107.1° | 109.4° |
| CAQ | PAX | OAC | 105.7° | 109.5° |
| CAQ | PAX | OAD | 106.0° | 109.5° |
| CAQ | PAX | OAB | 108.8° | 109.5° |
| PAX | CAQ | HAQ | 108.1° | 109.5° |
| PAX | CAQ | HAQA | 107.2° | 109.5° |
| OAC | PAX | OAD | 109.9° | 109.5° |
| OAC | PAX | OAB | 112.3° | 109.5° |
| PAX | OAC | KOAC | 109.5° | 114.0° |
| OAD | PAX | OAB | 113.5° | 109.5° |
| PAX | OAD | KOAD | 109.5° | 114.0° |
| HAP | CAP | HAPA | 112.1° | 109.5° |
| HAN | CAN | HANA | 111.7° | 109.5° |
| HAO | CAO | HAOA | 108.5° | 109.5° |
| HAQ | CAQ | HAQA | 112.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAJ | CAV | HAJ | 180.0° | 179.6° |
| CAJ | CAF | CAE | HAF | 180.0° | 180.0° |
| CAJ | CAF | CAE | CAG | 0.4° | 0.0° |
| CAF | CAJ | CAV | CAK | 0.5° | 0.1° |
| CAF | CAJ | CAV | OAS | 173.1° | 180.0° |
| CAJ | CAF | CAE | HAE | 179.6° | 179.9° |
| CAV | CAJ | CAF | CAE | 0.1° | 0.1° |
| CAJ | CAV | CAK | CAG | 0.6° | 0.1° |
| CAJ | CAV | CAK | OAS | 173.8° | 179.9° |
| CAJ | CAV | OAS | CAW | 4.5° | 0.5° |
| CAV | CAJ | CAF | HAF | 179.9° | 180.0° |
| CAJ | CAV | CAK | HAK | 179.4° | 180.0° |
| CAF | CAE | CAG | HAE | 180.0° | 180.0° |
| CAF | CAE | CAG | CAK | 0.2° | 0.0° |
| CAE | CAF | CAJ | HAJ | 179.9° | 179.7° |
| CAF | CAE | CAG | HAG | 179.8° | 180.0° |
| CAE | CAG | CAK | HAG | 180.0° | 180.0° |
| CAE | CAG | CAK | CAV | 0.3° | 0.1° |
| CAG | CAE | CAF | HAF | 179.6° | 180.0° |
| CAE | CAG | CAK | HAK | 179.7° | 180.0° |
| CAG | CAK | CAV | HAK | 180.0° | 180.0° |
| CAG | CAK | CAV | OAS | 173.2° | 180.0° |
| CAK | CAG | CAE | HAE | 179.7° | 179.9° |
| CAK | CAV | OAS | CAW | 178.1° | 179.4° |
| CAK | CAV | CAJ | HAJ | 179.6° | 179.7° |
| CAV | CAK | CAG | HAG | 179.7° | 180.0° |
| CAV | OAS | CAW | CAM | 87.8° | 90.0° |
| CAV | OAS | CAW | CAL | 97.9° | 90.3° |
| OAS | CAV | CAJ | HAJ | 6.9° | 0.3° |
| OAS | CAV | CAK | HAK | 6.8° | 0.0° |
| OAS | CAW | CAM | CAL | 174.3° | 179.7° |
| OAS | CAW | CAM | CAU | 173.7° | 180.0° |
| OAS | CAW | CAL | CAH | 173.9° | 180.0° |
| OAS | CAW | CAM | HAM | 6.3° | 0.0° |
| OAS | CAW | CAL | HAL | 6.1° | 0.0° |
| CAW | CAM | CAU | HAM | 180.0° | 180.0° |
| CAM | CAW | CAL | CAH | 0.4° | 0.3° |
| CAW | CAM | CAU | CAI | 0.6° | 0.1° |
| CAW | CAM | CAU | CAP | 177.6° | 180.0° |
| CAM | CAW | CAL | HAL | 179.6° | 179.7° |
| CAL | CAW | CAM | CAU | 0.6° | 0.3° |
| CAW | CAL | CAH | HAL | 180.0° | 180.0° |
| CAW | CAL | CAH | CAI | 0.1° | 0.0° |
| CAL | CAW | CAM | HAM | 179.4° | 179.7° |
| CAW | CAL | CAH | HAH | 179.8° | 180.0° |
| CAM | CAU | CAI | CAH | 0.4° | 0.2° |
| CAM | CAU | CAI | CAP | 178.2° | 179.9° |
| CAM | CAU | CAP | CAN | 80.2° | 90.0° |
| CAM | CAU | CAI | HAI | 179.6° | 180.0° |
| CAM | CAU | CAP | HAP | 159.8° | 150.0° |
| CAM | CAU | CAP | HAPA | 38.3° | 30.0° |
| CAL | CAH | CAI | HAH | 180.0° | 180.0° |
| CAL | CAH | CAI | CAU | 0.2° | 0.2° |
| CAL | CAH | CAI | HAI | 179.8° | 180.0° |
| CAH | CAI | CAU | HAI | 180.0° | 179.8° |
| CAH | CAI | CAU | CAP | 177.8° | 179.7° |
| CAI | CAH | CAL | HAL | 179.8° | 180.0° |
| CAI | CAU | CAP | CAN | 98.0° | 90.0° |
| CAI | CAU | CAM | HAM | 179.4° | 180.0° |
| CAU | CAI | CAH | HAH | 179.8° | 179.7° |
| CAI | CAU | CAP | HAP | 22.0° | 30.1° |
| CAI | CAU | CAP | HAPA | 143.5° | 150.0° |
| CAU | CAP | CAN | HAP | 120.0° | 120.0° |
| CAU | CAP | CAN | HAPA | 118.5° | 120.0° |
| CAU | CAP | CAN | CAO | 65.2° | 180.0° |
| CAP | CAU | CAM | HAM | 2.3° | 0.1° |
| CAP | CAU | CAI | HAI | 2.2° | 0.0° |
| CAU | CAP | HAP | HAPA | 118.6° | 120.0° |
| CAU | CAP | CAN | HAN | 174.8° | 60.0° |
| CAU | CAP | CAN | HANA | 53.6° | 60.0° |
| CAP | CAN | CAO | HAN | 120.0° | 120.0° |
| CAP | CAN | CAO | HANA | 118.8° | 120.0° |
| CAP | CAN | CAO | NAR | 47.9° | 180.0° |
| CAN | CAP | HAP | HAPA | 118.6° | 120.0° |
| CAP | CAN | HAN | HANA | 118.8° | 120.0° |
| CAP | CAN | CAO | HAO | 167.9° | 60.0° |
| CAP | CAN | CAO | HAOA | 72.6° | 60.0° |
| CAN | CAO | NAR | HAO | 120.0° | 120.0° |
| CAN | CAO | NAR | HAOA | 120.5° | 120.0° |
| CAN | CAO | NAR | CAT | 157.2° | 180.0° |
| CAO | CAN | CAP | HAP | 54.8° | 60.0° |
| CAO | CAN | CAP | HAPA | 176.3° | 60.0° |
| CAO | CAN | HAN | HANA | 118.9° | 120.0° |
| CAN | CAO | HAO | HAOA | 120.6° | 120.0° |
| CAN | CAO | NAR | HNAR | 22.8° | 0.1° |
| CAO | NAR | CAT | HNAR | 180.0° | 179.9° |
| CAO | NAR | CAT | OAA | 1.1° | 0.0° |
| CAO | NAR | CAT | CAQ | 178.0° | 179.9° |
| NAR | CAO | CAN | HAN | 72.1° | 60.0° |
| NAR | CAO | CAN | HANA | 166.7° | 60.0° |
| NAR | CAO | HAO | HAOA | 120.5° | 120.0° |
| NAR | CAT | OAA | CAQ | 176.8° | 180.0° |
| NAR | CAT | CAQ | PAX | 103.7° | 100.0° |
| CAT | NAR | CAO | HAO | 82.8° | 60.0° |
| CAT | NAR | CAO | HAOA | 36.6° | 60.0° |
| NAR | CAT | CAQ | HAQ | 136.3° | 20.0° |
| NAR | CAT | CAQ | HAQA | 14.5° | 140.0° |
| OAA | CAT | CAQ | PAX | 79.3° | 80.0° |
| OAA | CAT | NAR | HNAR | 178.9° | 179.9° |
| OAA | CAT | CAQ | HAQ | 40.7° | 160.0° |
| OAA | CAT | CAQ | HAQA | 162.5° | 40.0° |
| CAT | CAQ | PAX | HAQ | 120.0° | 120.0° |
| CAT | CAQ | PAX | HAQA | 118.2° | 120.0° |
| CAT | CAQ | PAX | OAC | 79.7° | 175.0° |
| CAT | CAQ | PAX | OAD | 37.0° | 65.0° |
| CAT | CAQ | PAX | OAB | 159.4° | 55.0° |
| CAQ | CAT | NAR | HNAR | 1.9° | 0.1° |
| CAT | CAQ | HAQ | HAQA | 118.3° | 119.9° |
| CAQ | PAX | OAC | OAD | 114.1° | 120.0° |
| CAQ | PAX | OAC | OAB | 118.5° | 120.0° |
| CAQ | PAX | OAD | OAB | 119.4° | 120.0° |
| PAX | CAQ | HAQ | HAQA | 118.3° | 120.0° |
| CAQ | PAX | OAC | KOAC | 53.2° | 180.0° |
| CAQ | PAX | OAD | KOAD | 145.3° | 60.0° |
| OAC | PAX | OAD | OAB | 126.8° | 120.0° |
| OAC | PAX | CAQ | HAQ | 160.3° | 55.0° |
| OAC | PAX | CAQ | HAQA | 38.4° | 65.0° |
| OAC | PAX | OAD | KOAD | 31.5° | 60.0° |
| OAD | PAX | CAQ | HAQ | 83.0° | 175.0° |
| OAD | PAX | CAQ | HAQA | 155.1° | 54.9° |
| OAD | PAX | OAC | KOAC | 60.9° | 60.0° |
| OAB | PAX | CAQ | HAQ | 39.5° | 65.0° |
| OAB | PAX | CAQ | HAQA | 82.4° | 175.0° |
| OAB | PAX | OAC | KOAC | 171.7° | 60.0° |
| OAB | PAX | OAD | KOAD | 95.3° | 180.0° |
| HAJ | CAJ | CAF | HAF | 0.1° | 0.3° |
| HAF | CAF | CAE | HAE | 0.4° | 0.0° |
| HAE | CAE | CAG | HAG | 0.3° | 0.0° |
| HAG | CAG | CAK | HAK | 0.3° | 0.0° |
| HAL | CAL | CAH | HAH | 0.2° | 0.0° |
| HAH | CAH | CAI | HAI | 0.2° | 0.0° |
| HAP | CAP | CAN | HAN | 65.2° | NaN° |
| HAP | CAP | CAN | HANA | 173.6° | 60.0° |
| HAPA | CAP | CAN | HAN | 56.3° | 60.0° |
| HAPA | CAP | CAN | HANA | 64.9° | 180.0° |
| HAN | CAN | CAO | HAO | 47.9° | NaN° |
| HAN | CAN | CAO | HAOA | 167.4° | 60.0° |
| HANA | CAN | CAO | HAO | 73.3° | 60.0° |
| HANA | CAN | CAO | HAOA | 46.2° | 180.0° |
| HAO | CAO | NAR | HNAR | 97.2° | 120.1° |
| HAOA | CAO | NAR | HNAR | 143.3° | 119.9° |
