B69
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAP | sing | 1.53Å | 1.53Å | |
CAP | CAQ | sing | 1.53Å | 1.53Å | |
CAQ | CAS | sing | 1.53Å | 1.53Å | |
CAS | CAV | sing | 1.51Å | 1.53Å | |
CAV | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAV | CAH | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAM | sing | 1.38Å | 1.39Å | Aromatic |
CAM | CAX | doub | 1.39Å | 1.39Å | Aromatic |
CAH | CAL | doub | 1.38Å | 1.39Å | Aromatic |
CAL | CAX | sing | 1.39Å | 1.39Å | Aromatic |
CAX | CAY | sing | 1.48Å | 1.39Å | Aromatic |
CAY | CAO | doub | 1.39Å | 1.39Å | Aromatic |
CAY | CAN | sing | 1.39Å | 1.39Å | Aromatic |
CAO | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAK | CAW | doub | 1.38Å | 1.39Å | Aromatic |
CAN | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAW | sing | 1.38Å | 1.39Å | Aromatic |
CAW | CAT | sing | 1.51Å | 1.53Å | |
CAT | CAR | sing | 1.53Å | 1.53Å | |
CAR | CAU | sing | 1.53Å | 1.53Å | |
CAU | CAZ | sing | 1.53Å | 1.53Å | |
CAZ | SBB | sing | 1.81Å | 1.83Å | |
SBB | OAG | doub | 1.42Å | 1.43Å | |
SBB | OAF | doub | 1.42Å | 1.50Å | |
SBB | OAE | sing | 1.52Å | 1.50Å | |
PBA | OAB | doub | 1.48Å | 1.48Å | |
PBA | OAC | sing | 1.61Å | 1.61Å | |
PBA | OAD | sing | 1.61Å | 1.61Å | |
CAZ | PBA | sing | 1.82Å | 1.84Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
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 | |
CAS | HAS | sing | 1.09Å | 1.10Å | |
CAS | HASA | sing | 1.09Å | 1.10Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAT | HAT | sing | 1.09Å | 1.10Å | |
CAT | HATA | sing | 1.09Å | 1.10Å | |
CAR | HAR | sing | 1.09Å | 1.10Å | |
CAR | HARA | sing | 1.09Å | 1.10Å | |
CAU | HAU | sing | 1.09Å | 1.10Å | |
CAU | HAUA | sing | 1.09Å | 1.10Å | |
CAZ | HAZ | sing | 1.09Å | 1.10Å | |
OAC | KOAC | sing | 2.36Å | 0.95Å | |
OAD | KOAD | sing | 2.36Å | 0.95Å | |
OAE | KOAE | sing | 2.36Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAP | CAQ | 112.0° | 109.5° |
CAP | CAA | HAA | 109.5° | 109.5° |
CAP | CAA | HAAA | 109.5° | 109.5° |
CAP | CAA | HAAB | 109.5° | 109.4° |
CAA | CAP | HAP | 108.6° | 109.4° |
CAA | CAP | HAPA | 108.1° | 109.4° |
CAP | CAQ | CAS | 107.9° | 109.5° |
CAQ | CAP | HAP | 108.7° | 109.5° |
CAQ | CAP | HAPA | 108.1° | 109.5° |
CAP | CAQ | HAQ | 110.0° | 109.5° |
CAP | CAQ | HAQA | 110.3° | 109.4° |
CAQ | CAS | CAV | 116.1° | 109.5° |
CAS | CAQ | HAQ | 110.0° | 109.5° |
CAS | CAQ | HAQA | 110.3° | 109.5° |
CAQ | CAS | HAS | 107.3° | 109.5° |
CAQ | CAS | HASA | 105.8° | 109.5° |
CAS | CAV | CAI | 120.3° | 119.9° |
CAS | CAV | CAH | 119.2° | 119.9° |
CAV | CAS | HAS | 107.3° | 109.4° |
CAV | CAS | HASA | 105.8° | 109.5° |
CAI | CAV | CAH | 119.4° | 120.3° |
CAV | CAI | CAM | 120.4° | 120.1° |
CAV | CAI | HAI | 119.8° | 119.9° |
CAV | CAH | CAL | 120.1° | 120.1° |
CAV | CAH | HAH | 119.9° | 119.9° |
CAI | CAM | CAX | 120.1° | 119.9° |
CAM | CAI | HAI | 119.8° | 120.0° |
CAI | CAM | HAM | 120.0° | 120.1° |
CAM | CAX | CAL | 119.4° | 119.7° |
CAM | CAX | CAY | 121.3° | 120.1° |
CAX | CAM | HAM | 120.0° | 120.1° |
CAH | CAL | CAX | 120.5° | 119.9° |
CAL | CAH | HAH | 119.9° | 119.9° |
CAH | CAL | HAL | 119.8° | 120.1° |
CAL | CAX | CAY | 119.1° | 120.1° |
CAX | CAL | HAL | 119.8° | 120.0° |
CAX | CAY | CAO | 119.9° | 120.1° |
CAX | CAY | CAN | 120.1° | 120.2° |
CAO | CAY | CAN | 119.8° | 119.7° |
CAY | CAO | CAK | 119.8° | 119.9° |
CAY | CAO | HAO | 120.1° | 120.1° |
CAY | CAN | CAJ | 120.4° | 119.9° |
CAY | CAN | HAN | 119.8° | 120.0° |
CAO | CAK | CAW | 120.4° | 120.1° |
CAK | CAO | HAO | 120.1° | 120.1° |
CAO | CAK | HAK | 119.8° | 119.9° |
CAK | CAW | CAJ | 119.8° | 120.2° |
CAK | CAW | CAT | 119.6° | 119.9° |
CAW | CAK | HAK | 119.8° | 119.9° |
CAN | CAJ | CAW | 119.9° | 120.1° |
CAJ | CAN | HAN | 119.8° | 120.0° |
CAN | CAJ | HAJ | 120.1° | 120.0° |
CAJ | CAW | CAT | 120.7° | 119.9° |
CAW | CAJ | HAJ | 120.1° | 119.9° |
CAW | CAT | CAR | 111.5° | 109.5° |
CAW | CAT | HAT | 108.8° | 109.4° |
CAW | CAT | HATA | 108.3° | 109.4° |
CAT | CAR | CAU | 111.1° | 109.5° |
CAR | CAT | HAT | 108.8° | 109.5° |
CAR | CAT | HATA | 108.4° | 109.5° |
CAT | CAR | HAR | 108.9° | 109.5° |
CAT | CAR | HARA | 108.6° | 109.5° |
CAR | CAU | CAZ | 113.0° | 109.5° |
CAU | CAR | HAR | 108.9° | 109.5° |
CAU | CAR | HARA | 108.6° | 109.5° |
CAR | CAU | HAU | 108.3° | 109.5° |
CAR | CAU | HAUA | 107.5° | 109.5° |
CAU | CAZ | SBB | 109.0° | 109.5° |
CAU | CAZ | PBA | 110.7° | 109.5° |
CAZ | CAU | HAU | 108.3° | 109.5° |
CAZ | CAU | HAUA | 107.5° | 109.4° |
CAU | CAZ | HAZ | 109.2° | 109.5° |
CAZ | SBB | OAG | 109.2° | 110.5° |
CAZ | SBB | OAF | 109.3° | 110.6° |
CAZ | SBB | OAE | 109.1° | 104.4° |
SBB | CAZ | PBA | 110.1° | 109.4° |
SBB | CAZ | HAZ | 109.8° | 109.5° |
OAG | SBB | OAF | 109.7° | 121.0° |
OAG | SBB | OAE | 110.0° | 104.3° |
OAF | SBB | OAE | 109.4° | 104.3° |
SBB | OAE | KOAE | 109.5° | 114.0° |
OAB | PBA | OAC | 111.6° | 109.5° |
OAB | PBA | OAD | 113.0° | 109.5° |
OAB | PBA | CAZ | 111.5° | 109.5° |
OAC | PBA | OAD | 106.8° | 109.5° |
OAC | PBA | CAZ | 107.4° | 109.4° |
PBA | OAC | KOAC | 109.5° | 114.0° |
OAD | PBA | CAZ | 106.1° | 109.5° |
PBA | OAD | KOAD | 109.5° | 114.0° |
PBA | CAZ | HAZ | 108.1° | 109.5° |
HAA | CAA | HAAA | 109.5° | 109.5° |
HAA | CAA | HAAB | 109.4° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.4° |
HAP | CAP | HAPA | 111.4° | 109.5° |
HAQ | CAQ | HAQA | 108.3° | 109.5° |
HAS | CAS | HASA | 114.8° | 109.5° |
HAT | CAT | HATA | 111.1° | 109.5° |
HAR | CAR | HARA | 110.7° | 109.5° |
HAU | CAU | HAUA | 112.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAP | CAQ | HAP | 120.0° | 120.0° |
CAA | CAP | CAQ | HAPA | 119.0° | 120.0° |
CAA | CAP | CAQ | CAS | 178.3° | 180.0° |
CAP | CAA | HAA | HAAA | 120.0° | 120.0° |
CAP | CAA | HAA | HAAB | 120.0° | 120.0° |
CAP | CAA | HAAA | HAAB | 120.0° | 119.9° |
CAA | CAP | HAP | HAPA | 119.0° | 119.9° |
CAA | CAP | CAQ | HAQ | 58.3° | 60.0° |
CAA | CAP | CAQ | HAQA | 61.1° | 60.0° |
CAP | CAQ | CAS | HAQ | 120.0° | 120.0° |
CAP | CAQ | CAS | HAQA | 120.6° | 120.0° |
CAP | CAQ | CAS | CAV | 172.0° | 180.0° |
CAQ | CAP | CAA | HAA | 109.4° | 180.0° |
CAQ | CAP | CAA | HAAA | 10.6° | 60.0° |
CAQ | CAP | CAA | HAAB | 130.6° | 60.0° |
CAQ | CAP | HAP | HAPA | 119.0° | 120.0° |
CAP | CAQ | HAQ | HAQA | 120.6° | 120.0° |
CAP | CAQ | CAS | HAS | 68.0° | 60.0° |
CAP | CAQ | CAS | HASA | 55.0° | 60.0° |
CAQ | CAS | CAV | HAS | 120.0° | 120.0° |
CAQ | CAS | CAV | HASA | 117.0° | 120.0° |
CAQ | CAS | CAV | CAI | 79.0° | 90.0° |
CAQ | CAS | CAV | CAH | 113.0° | 90.3° |
CAS | CAQ | CAP | HAP | 61.7° | 60.0° |
CAS | CAQ | CAP | HAPA | 59.3° | 60.0° |
CAS | CAQ | HAQ | HAQA | 120.6° | 120.0° |
CAQ | CAS | HAS | HASA | 117.3° | 120.0° |
CAS | CAV | CAI | CAH | 168.0° | 179.7° |
CAS | CAV | CAI | CAM | 166.6° | 180.0° |
CAS | CAV | CAH | CAL | 166.9° | 180.0° |
CAV | CAS | CAQ | HAQ | 52.0° | 60.0° |
CAV | CAS | CAQ | HAQA | 67.4° | 60.0° |
CAV | CAS | HAS | HASA | 117.3° | 120.0° |
CAS | CAV | CAI | HAI | 13.4° | 0.0° |
CAS | CAV | CAH | HAH | 13.2° | 0.0° |
CAV | CAI | CAM | HAI | 180.0° | 180.0° |
CAV | CAI | CAM | CAX | 0.6° | 0.0° |
CAI | CAV | CAH | CAL | 1.3° | 0.3° |
CAI | CAV | CAS | HAS | 160.9° | 30.0° |
CAI | CAV | CAS | HASA | 37.9° | 150.0° |
CAV | CAI | CAM | HAM | 179.4° | 180.0° |
CAI | CAV | CAH | HAH | 178.7° | 179.7° |
CAH | CAV | CAI | CAM | 1.4° | 0.3° |
CAV | CAH | CAL | HAH | 180.0° | 180.0° |
CAV | CAH | CAL | CAX | 0.4° | 0.0° |
CAH | CAV | CAS | HAS | 7.1° | 149.7° |
CAH | CAV | CAS | HASA | 130.1° | 29.7° |
CAH | CAV | CAI | HAI | 178.6° | 179.7° |
CAV | CAH | CAL | HAL | 179.6° | 180.0° |
CAI | CAM | CAX | HAM | 180.0° | 179.9° |
CAI | CAM | CAX | CAL | 0.2° | 0.3° |
CAI | CAM | CAX | CAY | 175.8° | 180.0° |
CAM | CAX | CAL | CAH | 0.3° | 0.3° |
CAM | CAX | CAL | CAY | 175.7° | 179.7° |
CAM | CAX | CAY | CAO | 153.5° | 180.0° |
CAM | CAX | CAY | CAN | 32.2° | 0.3° |
CAX | CAM | CAI | HAI | 179.4° | 180.0° |
CAM | CAX | CAL | HAL | 179.6° | 179.7° |
CAH | CAL | CAX | HAL | 180.0° | 179.9° |
CAH | CAL | CAX | CAY | 176.0° | 180.0° |
CAL | CAX | CAY | CAO | 31.0° | 0.3° |
CAL | CAX | CAY | CAN | 143.4° | 180.0° |
CAL | CAX | CAM | HAM | 179.7° | 179.7° |
CAX | CAL | CAH | HAH | 179.6° | 180.0° |
CAX | CAY | CAO | CAN | 174.4° | 179.7° |
CAX | CAY | CAO | CAK | 173.3° | 180.0° |
CAX | CAY | CAN | CAJ | 173.2° | 180.0° |
CAY | CAX | CAM | HAM | 4.2° | 0.1° |
CAY | CAX | CAL | HAL | 4.0° | 0.1° |
CAX | CAY | CAO | HAO | 6.6° | 0.1° |
CAX | CAY | CAN | HAN | 6.8° | 0.0° |
CAY | CAO | CAK | HAO | 180.0° | 179.9° |
CAY | CAO | CAK | CAW | 0.2° | 0.0° |
CAO | CAY | CAN | CAJ | 1.1° | 0.3° |
CAY | CAO | CAK | HAK | 179.8° | 179.9° |
CAO | CAY | CAN | HAN | 178.9° | 179.7° |
CAN | CAY | CAO | CAK | 1.0° | 0.3° |
CAY | CAN | CAJ | HAN | 180.0° | 180.0° |
CAY | CAN | CAJ | CAW | 0.3° | 0.0° |
CAN | CAY | CAO | HAO | 179.0° | 179.7° |
CAY | CAN | CAJ | HAJ | 179.7° | 180.0° |
CAO | CAK | CAW | HAK | 180.0° | 179.9° |
CAO | CAK | CAW | CAJ | 0.6° | 0.3° |
CAO | CAK | CAW | CAT | 177.9° | 180.0° |
CAK | CAW | CAJ | CAN | 0.5° | 0.3° |
CAK | CAW | CAJ | CAT | 178.5° | 179.7° |
CAK | CAW | CAT | CAR | 77.9° | 90.0° |
CAW | CAK | CAO | HAO | 179.9° | 179.9° |
CAK | CAW | CAJ | HAJ | 179.5° | 179.7° |
CAK | CAW | CAT | HAT | 162.1° | 150.0° |
CAK | CAW | CAT | HATA | 41.3° | 30.0° |
CAN | CAJ | CAW | HAJ | 180.0° | 180.0° |
CAN | CAJ | CAW | CAT | 177.9° | 180.0° |
CAJ | CAW | CAT | CAR | 103.7° | 89.7° |
CAJ | CAW | CAK | HAK | 179.4° | 179.7° |
CAW | CAJ | CAN | HAN | 179.6° | 180.0° |
CAJ | CAW | CAT | HAT | 16.4° | 30.3° |
CAJ | CAW | CAT | HATA | 137.2° | 150.3° |
CAW | CAT | CAR | HAT | 120.0° | 120.0° |
CAW | CAT | CAR | HATA | 119.1° | 120.0° |
CAW | CAT | CAR | CAU | 152.0° | 180.0° |
CAT | CAW | CAK | HAK | 2.1° | 0.1° |
CAT | CAW | CAJ | HAJ | 2.1° | 0.0° |
CAW | CAT | HAT | HATA | 119.1° | 119.9° |
CAW | CAT | CAR | HAR | 32.0° | 60.0° |
CAW | CAT | CAR | HARA | 88.7° | 60.0° |
CAT | CAR | CAU | HAR | 120.0° | 120.0° |
CAT | CAR | CAU | HARA | 119.3° | 120.0° |
CAT | CAR | CAU | CAZ | 65.4° | NaN° |
CAR | CAT | HAT | HATA | 119.2° | 120.0° |
CAT | CAR | HAR | HARA | 119.3° | 120.0° |
CAT | CAR | CAU | HAU | 54.6° | 60.0° |
CAT | CAR | CAU | HAUA | 176.1° | 60.0° |
CAR | CAU | CAZ | HAU | 120.0° | 120.0° |
CAR | CAU | CAZ | HAUA | 118.5° | 120.0° |
CAR | CAU | CAZ | SBB | 153.7° | 65.0° |
CAR | CAU | CAZ | PBA | 85.1° | 175.0° |
CAU | CAR | CAT | HAT | 88.0° | 60.0° |
CAU | CAR | CAT | HATA | 32.9° | 60.0° |
CAU | CAR | HAR | HARA | 119.4° | 120.0° |
CAR | CAU | HAU | HAUA | 118.6° | 120.0° |
CAR | CAU | CAZ | HAZ | 33.8° | 55.0° |
CAU | CAZ | SBB | PBA | 121.5° | 120.0° |
CAU | CAZ | SBB | HAZ | 119.6° | 120.1° |
CAU | CAZ | SBB | OAG | 177.1° | 73.8° |
CAU | CAZ | SBB | OAF | 62.9° | 63.0° |
CAU | CAZ | SBB | OAE | 56.8° | 174.7° |
CAU | CAZ | PBA | OAB | 58.7° | 66.9° |
CAU | CAZ | PBA | OAC | 178.6° | 53.1° |
CAU | CAZ | PBA | OAD | 64.7° | 173.0° |
CAU | CAZ | PBA | HAZ | 119.6° | 120.0° |
CAZ | CAU | CAR | HAR | 174.7° | 60.0° |
CAZ | CAU | CAR | HARA | 54.0° | 60.0° |
CAZ | CAU | HAU | HAUA | 118.6° | 120.0° |
CAZ | SBB | OAG | OAF | 119.8° | 131.5° |
CAZ | SBB | OAG | OAE | 119.7° | 111.7° |
CAZ | SBB | OAF | OAE | 119.5° | 111.8° |
SBB | CAZ | PBA | OAB | 179.3° | 53.0° |
SBB | CAZ | PBA | OAC | 58.1° | 173.0° |
SBB | CAZ | PBA | OAD | 55.9° | 67.0° |
SBB | CAZ | PBA | HAZ | 119.9° | 120.0° |
SBB | CAZ | CAU | HAU | 33.7° | 55.0° |
SBB | CAZ | CAU | HAUA | 87.8° | 174.9° |
CAZ | SBB | OAE | KOAE | 114.0° | 73.9° |
OAG | SBB | OAF | OAE | 120.8° | 116.8° |
OAG | SBB | CAZ | PBA | 61.4° | 166.3° |
OAG | SBB | CAZ | HAZ | 57.5° | 46.3° |
OAG | SBB | OAE | KOAE | 126.2° | 42.1° |
OAF | SBB | CAZ | PBA | 58.7° | 57.0° |
OAF | SBB | CAZ | HAZ | 177.5° | 177.0° |
OAF | SBB | OAE | KOAE | 5.6° | 170.0° |
OAE | SBB | CAZ | PBA | 178.4° | 54.7° |
OAE | SBB | CAZ | HAZ | 62.8° | 65.3° |
OAB | PBA | OAC | OAD | 124.0° | 120.0° |
OAB | PBA | OAC | CAZ | 122.6° | 120.0° |
OAB | PBA | OAD | CAZ | 122.5° | 120.0° |
OAB | PBA | CAZ | HAZ | 60.9° | 173.0° |
OAB | PBA | OAC | KOAC | 7.1° | 60.0° |
OAB | PBA | OAD | KOAD | 59.3° | 174.5° |
OAC | PBA | OAD | CAZ | 114.4° | 120.0° |
OAC | PBA | CAZ | HAZ | 61.8° | 67.0° |
OAC | PBA | OAD | KOAD | 63.8° | 54.5° |
OAD | PBA | CAZ | HAZ | 175.8° | 53.0° |
OAD | PBA | OAC | KOAC | 116.8° | 60.0° |
PBA | CAZ | CAU | HAU | 154.9° | 65.0° |
PBA | CAZ | CAU | HAUA | 33.4° | 55.0° |
CAZ | PBA | OAC | KOAC | 129.7° | 180.0° |
CAZ | PBA | OAD | KOAD | 178.2° | 65.4° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
HAA | CAA | CAP | HAP | 10.6° | 60.0° |
HAA | CAA | CAP | HAPA | 131.7° | 60.0° |
HAAA | CAA | CAP | HAP | 130.6° | 60.1° |
HAAA | CAA | CAP | HAPA | 108.3° | 180.0° |
HAAB | CAA | CAP | HAP | 109.3° | 180.0° |
HAAB | CAA | CAP | HAPA | 11.7° | 60.0° |
HAP | CAP | CAQ | HAQ | 178.3° | 180.0° |
HAP | CAP | CAQ | HAQA | 58.9° | 60.0° |
HAPA | CAP | CAQ | HAQ | 60.7° | 60.0° |
HAPA | CAP | CAQ | HAQA | 179.9° | 180.0° |
HAQ | CAQ | CAS | HAS | 172.0° | 180.0° |
HAQ | CAQ | CAS | HASA | 65.0° | 60.0° |
HAQA | CAQ | CAS | HAS | 52.7° | 59.9° |
HAQA | CAQ | CAS | HASA | 175.6° | 180.0° |
HAI | CAI | CAM | HAM | 0.6° | 0.0° |
HAH | CAH | CAL | HAL | 0.4° | 0.0° |
HAO | CAO | CAK | HAK | 0.1° | 0.0° |
HAN | CAN | CAJ | HAJ | 0.4° | 0.0° |
HAT | CAT | CAR | HAR | 152.0° | 180.0° |
HAT | CAT | CAR | HARA | 31.3° | 60.0° |
HATA | CAT | CAR | HAR | 87.1° | 60.0° |
HATA | CAT | CAR | HARA | 152.2° | 180.0° |
HAR | CAR | CAU | HAU | 65.4° | 180.0° |
HAR | CAR | CAU | HAUA | 56.2° | 60.0° |
HARA | CAR | CAU | HAU | 173.9° | 60.0° |
HARA | CAR | CAU | HAUA | 64.5° | 180.0° |
HAU | CAU | CAZ | HAZ | 86.2° | 175.0° |
HAUA | CAU | CAZ | HAZ | 152.3° | 65.0° |