B65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAU | sing | 1.39Å | 1.38Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | OAS | sing | 1.36Å | 1.36Å | |
| OAS | CAV | sing | 1.36Å | 1.36Å | |
| CAV | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAQ | sing | 1.51Å | 1.53Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CAP | CAR | sing | 1.53Å | 1.53Å | |
| CAR | CAW | sing | 1.53Å | 1.53Å | |
| CAW | PAX | sing | 1.82Å | 1.84Å | |
| CAW | SAY | sing | 1.81Å | 1.83Å | |
| PAX | OAB | sing | 1.61Å | 1.61Å | |
| PAX | OAC | sing | 1.61Å | 1.61Å | |
| PAX | OAA | doub | 1.48Å | 1.48Å | |
| SAY | OAF | doub | 1.42Å | 1.43Å | |
| SAY | OAE | doub | 1.42Å | 1.50Å | |
| SAY | OAD | sing | 1.52Å | 1.50Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAL | CAU | 119.4° | 120.0° |
| CAL | CAH | CAG | 120.3° | 120.0° |
| CAH | CAL | HAL | 120.3° | 120.0° |
| CAL | CAH | HAH | 119.9° | 120.0° |
| CAL | CAU | CAM | 120.4° | 119.9° |
| CAL | CAU | OAS | 120.1° | 120.1° |
| CAU | CAL | HAL | 120.3° | 120.0° |
| CAH | CAG | CAI | 120.0° | 120.1° |
| CAG | CAH | HAH | 119.8° | 120.0° |
| CAH | CAG | HAG | 120.0° | 119.9° |
| CAG | CAI | CAM | 119.8° | 120.1° |
| CAI | CAG | HAG | 120.0° | 119.9° |
| CAG | CAI | HAI | 120.1° | 120.0° |
| CAI | CAM | CAU | 120.1° | 119.9° |
| CAM | CAI | HAI | 120.1° | 120.0° |
| CAI | CAM | HAM | 120.0° | 120.0° |
| CAM | CAU | OAS | 119.0° | 120.0° |
| CAU | CAM | HAM | 120.0° | 120.1° |
| CAU | OAS | CAV | 116.3° | 118.0° |
| OAS | CAV | CAO | 117.3° | 120.1° |
| OAS | CAV | CAN | 122.8° | 120.1° |
| CAO | CAV | CAN | 119.7° | 119.9° |
| CAV | CAO | CAT | 120.8° | 119.9° |
| CAV | CAO | HAO | 119.6° | 120.0° |
| CAV | CAN | CAJ | 119.6° | 120.0° |
| CAV | CAN | HAN | 120.2° | 120.0° |
| CAO | CAT | CAK | 119.6° | 120.0° |
| CAO | CAT | CAQ | 119.1° | 120.0° |
| CAT | CAO | HAO | 119.6° | 120.0° |
| CAN | CAJ | CAK | 120.6° | 120.1° |
| CAJ | CAN | HAN | 120.2° | 120.0° |
| CAN | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAK | CAT | 119.8° | 120.1° |
| CAK | CAJ | HAJ | 119.8° | 119.9° |
| CAJ | CAK | HAK | 120.1° | 119.9° |
| CAK | CAT | CAQ | 121.3° | 120.0° |
| CAT | CAK | HAK | 120.1° | 120.0° |
| CAT | CAQ | CAP | 111.7° | 109.5° |
| CAT | CAQ | HAQ | 108.7° | 109.5° |
| CAT | CAQ | HAQA | 108.2° | 109.4° |
| CAQ | CAP | CAR | 109.4° | 109.5° |
| CAP | CAQ | HAQ | 108.8° | 109.5° |
| CAP | CAQ | HAQA | 108.2° | 109.5° |
| CAQ | CAP | HAP | 109.5° | 109.5° |
| CAQ | CAP | HAPA | 109.5° | 109.5° |
| CAP | CAR | CAW | 112.7° | 109.5° |
| CAR | CAP | HAP | 109.5° | 109.5° |
| CAR | CAP | HAPA | 109.5° | 109.4° |
| CAP | CAR | HAR | 108.4° | 109.5° |
| CAP | CAR | HARA | 107.7° | 109.5° |
| CAR | CAW | PAX | 111.1° | 109.5° |
| CAR | CAW | SAY | 109.3° | 109.4° |
| CAW | CAR | HAR | 108.4° | 109.5° |
| CAW | CAR | HARA | 107.7° | 109.5° |
| CAR | CAW | HAW | 108.7° | 109.5° |
| PAX | CAW | SAY | 110.2° | 109.5° |
| CAW | PAX | OAB | 107.1° | 109.4° |
| CAW | PAX | OAC | 105.9° | 109.5° |
| CAW | PAX | OAA | 112.4° | 109.5° |
| PAX | CAW | HAW | 107.8° | 109.5° |
| CAW | SAY | OAF | 109.4° | 110.5° |
| CAW | SAY | OAE | 109.8° | 110.6° |
| CAW | SAY | OAD | 109.5° | 104.5° |
| SAY | CAW | HAW | 109.7° | 109.5° |
| OAB | PAX | OAC | 106.9° | 109.4° |
| OAB | PAX | OAA | 112.0° | 109.5° |
| PAX | OAB | HAB | 109.5° | 114.0° |
| OAC | PAX | OAA | 112.1° | 109.5° |
| PAX | OAC | HAC | 109.5° | 114.0° |
| OAF | SAY | OAE | 109.1° | 121.0° |
| OAF | SAY | OAD | 110.4° | 104.3° |
| OAE | SAY | OAD | 108.7° | 104.3° |
| SAY | OAD | HAD | 109.5° | 114.0° |
| HAQ | CAQ | HAQA | 111.2° | 109.5° |
| HAP | CAP | HAPA | 109.4° | 109.4° |
| HAR | CAR | HARA | 112.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAL | CAU | HAL | 180.0° | 179.7° |
| CAL | CAH | CAG | HAH | 180.0° | 180.0° |
| CAL | CAH | CAG | CAI | 0.1° | 0.0° |
| CAH | CAL | CAU | CAM | 0.5° | 0.0° |
| CAH | CAL | CAU | OAS | 171.4° | 180.0° |
| CAL | CAH | CAG | HAG | 179.9° | 179.9° |
| CAU | CAL | CAH | CAG | 0.1° | 0.0° |
| CAL | CAU | CAM | CAI | 0.6° | 0.0° |
| CAL | CAU | CAM | OAS | 171.9° | 180.0° |
| CAL | CAU | OAS | CAV | 88.9° | 0.6° |
| CAU | CAL | CAH | HAH | 179.9° | 180.0° |
| CAL | CAU | CAM | HAM | 179.4° | 180.0° |
| CAH | CAG | CAI | HAG | 180.0° | 179.9° |
| CAH | CAG | CAI | CAM | 0.0° | 0.0° |
| CAG | CAH | CAL | HAL | 179.9° | 179.7° |
| CAH | CAG | CAI | HAI | 179.9° | 180.0° |
| CAG | CAI | CAM | HAI | 180.0° | 180.0° |
| CAG | CAI | CAM | CAU | 0.4° | 0.0° |
| CAI | CAG | CAH | HAH | 179.9° | 180.0° |
| CAG | CAI | CAM | HAM | 179.6° | 180.0° |
| CAI | CAM | CAU | HAM | 180.0° | 180.0° |
| CAI | CAM | CAU | OAS | 171.3° | 180.0° |
| CAM | CAI | CAG | HAG | 180.0° | 179.9° |
| CAM | CAU | OAS | CAV | 99.1° | 179.4° |
| CAM | CAU | CAL | HAL | 179.6° | 179.7° |
| CAU | CAM | CAI | HAI | 179.6° | 180.0° |
| CAU | OAS | CAV | CAO | 159.3° | 90.0° |
| CAU | OAS | CAV | CAN | 26.7° | 90.3° |
| OAS | CAU | CAL | HAL | 8.6° | 0.3° |
| OAS | CAU | CAM | HAM | 8.7° | 0.0° |
| OAS | CAV | CAO | CAN | 174.2° | 179.7° |
| OAS | CAV | CAO | CAT | 173.4° | 180.0° |
| OAS | CAV | CAN | CAJ | 173.4° | 180.0° |
| OAS | CAV | CAO | HAO | 6.6° | 0.1° |
| OAS | CAV | CAN | HAN | 6.6° | 0.0° |
| CAV | CAO | CAT | HAO | 180.0° | 179.9° |
| CAO | CAV | CAN | CAJ | 0.4° | 0.3° |
| CAV | CAO | CAT | CAK | 0.6° | 0.0° |
| CAV | CAO | CAT | CAQ | 177.1° | 180.0° |
| CAO | CAV | CAN | HAN | 179.6° | 179.7° |
| CAN | CAV | CAO | CAT | 0.8° | 0.3° |
| CAV | CAN | CAJ | HAN | 180.0° | 179.9° |
| CAV | CAN | CAJ | CAK | 0.2° | 0.0° |
| CAN | CAV | CAO | HAO | 179.2° | 179.8° |
| CAV | CAN | CAJ | HAJ | 179.8° | 180.0° |
| CAO | CAT | CAK | CAJ | 0.1° | 0.3° |
| CAO | CAT | CAK | CAQ | 177.7° | 180.0° |
| CAO | CAT | CAQ | CAP | 90.2° | 90.0° |
| CAO | CAT | CAK | HAK | 179.9° | 180.0° |
| CAO | CAT | CAQ | HAQ | 149.8° | 150.0° |
| CAO | CAT | CAQ | HAQA | 28.9° | 30.0° |
| CAN | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAN | CAJ | CAK | CAT | 0.3° | 0.3° |
| CAN | CAJ | CAK | HAK | 179.7° | 180.0° |
| CAJ | CAK | CAT | HAK | 180.0° | 179.7° |
| CAJ | CAK | CAT | CAQ | 177.6° | 179.7° |
| CAK | CAJ | CAN | HAN | 179.9° | 180.0° |
| CAK | CAT | CAQ | CAP | 92.1° | 90.0° |
| CAK | CAT | CAO | HAO | 179.4° | 179.9° |
| CAT | CAK | CAJ | HAJ | 179.7° | 179.7° |
| CAK | CAT | CAQ | HAQ | 27.9° | 30.0° |
| CAK | CAT | CAQ | HAQA | 148.9° | 150.0° |
| CAT | CAQ | CAP | HAQ | 120.0° | 120.0° |
| CAT | CAQ | CAP | HAQA | 119.1° | 120.0° |
| CAT | CAQ | CAP | CAR | 59.8° | 180.0° |
| CAQ | CAT | CAO | HAO | 2.9° | 0.0° |
| CAQ | CAT | CAK | HAK | 2.4° | 0.1° |
| CAT | CAQ | HAQ | HAQA | 119.1° | 120.0° |
| CAT | CAQ | CAP | HAP | 179.8° | 60.0° |
| CAT | CAQ | CAP | HAPA | 60.2° | 60.0° |
| CAQ | CAP | CAR | HAP | 120.0° | 120.0° |
| CAQ | CAP | CAR | HAPA | 120.0° | 120.1° |
| CAQ | CAP | CAR | CAW | 171.9° | 180.0° |
| CAP | CAQ | HAQ | HAQA | 119.1° | 120.0° |
| CAQ | CAP | HAP | HAPA | 120.0° | 120.0° |
| CAQ | CAP | CAR | HAR | 68.1° | 60.0° |
| CAQ | CAP | CAR | HARA | 53.3° | 59.9° |
| CAP | CAR | CAW | HAR | 120.0° | 120.0° |
| CAP | CAR | CAW | HARA | 118.6° | 120.0° |
| CAP | CAR | CAW | PAX | 60.0° | 175.0° |
| CAP | CAR | CAW | SAY | 178.2° | 65.0° |
| CAR | CAP | CAQ | HAQ | 60.2° | 60.0° |
| CAR | CAP | CAQ | HAQA | 178.9° | 60.0° |
| CAR | CAP | HAP | HAPA | 120.0° | 119.9° |
| CAP | CAR | HAR | HARA | 118.7° | 119.9° |
| CAP | CAR | CAW | HAW | 58.5° | 55.0° |
| CAR | CAW | PAX | SAY | 121.3° | 120.0° |
| CAR | CAW | PAX | HAW | 119.0° | 120.0° |
| CAR | CAW | SAY | HAW | 119.1° | 120.0° |
| CAR | CAW | PAX | OAB | 163.3° | 180.0° |
| CAR | CAW | PAX | OAC | 49.5° | 60.0° |
| CAR | CAW | PAX | OAA | 73.3° | 60.1° |
| CAR | CAW | SAY | OAF | 173.6° | 171.6° |
| CAR | CAW | SAY | OAE | 53.9° | 51.6° |
| CAR | CAW | SAY | OAD | 65.3° | 60.0° |
| CAW | CAR | CAP | HAP | 51.9° | 60.0° |
| CAW | CAR | CAP | HAPA | 68.0° | 60.0° |
| CAW | CAR | HAR | HARA | 118.7° | 120.0° |
| PAX | CAW | SAY | HAW | 118.5° | 120.0° |
| CAW | PAX | OAB | OAC | 113.1° | 120.0° |
| CAW | PAX | OAB | OAA | 123.7° | 120.0° |
| CAW | PAX | OAC | OAA | 122.9° | 120.0° |
| PAX | CAW | SAY | OAF | 51.2° | 51.7° |
| PAX | CAW | SAY | OAE | 68.5° | 171.6° |
| PAX | CAW | SAY | OAD | 172.3° | 59.9° |
| PAX | CAW | CAR | HAR | 180.0° | 65.0° |
| PAX | CAW | CAR | HARA | 58.6° | 55.0° |
| CAW | PAX | OAB | HAB | 139.0° | 179.9° |
| CAW | PAX | OAC | HAC | 167.3° | 60.0° |
| SAY | CAW | PAX | OAB | 42.0° | 60.0° |
| SAY | CAW | PAX | OAC | 71.8° | 60.0° |
| SAY | CAW | PAX | OAA | 165.4° | 180.0° |
| CAW | SAY | OAF | OAE | 120.1° | 131.5° |
| CAW | SAY | OAF | OAD | 120.5° | 111.7° |
| CAW | SAY | OAE | OAD | 119.7° | 111.8° |
| SAY | CAW | CAR | HAR | 58.2° | 55.0° |
| SAY | CAW | CAR | HARA | 63.2° | 175.0° |
| CAW | SAY | OAD | HAD | 114.9° | 180.0° |
| OAB | PAX | OAC | OAA | 123.1° | 120.0° |
| OAB | PAX | CAW | HAW | 77.6° | 60.0° |
| OAB | PAX | OAC | HAC | 78.7° | 60.0° |
| OAC | PAX | CAW | HAW | 168.5° | 180.0° |
| OAC | PAX | OAB | HAB | 107.9° | 60.1° |
| OAA | PAX | CAW | HAW | 45.8° | 60.0° |
| OAA | PAX | OAB | HAB | 15.3° | 60.0° |
| OAA | PAX | OAC | HAC | 44.4° | 180.0° |
| OAF | SAY | OAE | OAD | 120.5° | 116.8° |
| OAF | SAY | CAW | HAW | 67.3° | 68.4° |
| OAF | SAY | OAD | HAD | 124.6° | 64.0° |
| OAE | SAY | CAW | HAW | 173.0° | 68.3° |
| OAE | SAY | OAD | HAD | 5.0° | 63.9° |
| OAD | SAY | CAW | HAW | 53.8° | 180.0° |
| HAL | CAL | CAH | HAH | 0.1° | 0.3° |
| HAH | CAH | CAG | HAG | 0.1° | 0.1° |
| HAG | CAG | CAI | HAI | 0.0° | 0.1° |
| HAI | CAI | CAM | HAM | 0.4° | 0.0° |
| HAN | CAN | CAJ | HAJ | 0.1° | 0.0° |
| HAJ | CAJ | CAK | HAK | 0.3° | 0.0° |
| HAQ | CAQ | CAP | HAP | 59.9° | 180.0° |
| HAQ | CAQ | CAP | HAPA | 179.8° | 60.0° |
| HAQA | CAQ | CAP | HAP | 61.1° | 60.0° |
| HAQA | CAQ | CAP | HAPA | 58.8° | 180.0° |
| HAP | CAP | CAR | HAR | 171.9° | 180.0° |
| HAP | CAP | CAR | HARA | 66.7° | 60.1° |
| HAPA | CAP | CAR | HAR | 52.0° | 60.1° |
| HAPA | CAP | CAR | HARA | 173.4° | 180.0° |
| HAR | CAR | CAW | HAW | 61.5° | 175.0° |
| HARA | CAR | CAW | HAW | 177.1° | 65.0° |
