ZVY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAD | NAA | trip | 1.14Å | 1.17Å | |
CAX | OAB | sing | 1.34Å | 1.26Å | |
OAB | HOAB | sing | 0.97Å | 0.95Å | |
OAC | CAX | doub | 1.21Å | 1.25Å | |
CAY | CAD | sing | 1.43Å | 1.29Å | |
CAF | CAE | doub | 1.39Å | 1.40Å | Aromatic |
CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAH | CAF | sing | 1.38Å | 1.41Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
NAV | CAG | doub | 1.32Å | 1.35Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | CBC | doub | 1.39Å | 1.41Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAL | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAI | CAY | sing | 1.40Å | 1.37Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAM | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
CAY | CAJ | doub | 1.40Å | 1.38Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAZ | CAK | doub | 1.39Å | 1.39Å | Aromatic |
CAK | CAN | sing | 1.38Å | 1.39Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | CBA | sing | 1.40Å | 1.37Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CBA | CAM | doub | 1.40Å | 1.37Å | Aromatic |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CBD | CAN | doub | 1.39Å | 1.40Å | Aromatic |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAO | CBB | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
CAO | HAO | sing | 1.08Å | 1.08Å | |
NBE | CAP | sing | 1.47Å | 1.47Å | |
CAP | CAR | sing | 1.53Å | 1.51Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
CAQ | CAS | sing | 1.53Å | 1.53Å | |
CAQ | NBE | sing | 1.47Å | 1.49Å | |
CAQ | HAQ | sing | 1.09Å | 1.10Å | |
CAQ | HAQA | sing | 1.09Å | 1.10Å | |
NBF | CAR | sing | 1.47Å | 1.46Å | |
CAR | HAR | sing | 1.09Å | 1.10Å | |
CAR | HARA | sing | 1.09Å | 1.10Å | |
CAS | NBF | sing | 1.47Å | 1.50Å | |
CAS | HAS | sing | 1.09Å | 1.10Å | |
CAS | HASA | sing | 1.09Å | 1.10Å | |
CAT | CAX | sing | 1.51Å | 1.51Å | |
CAT | OAW | sing | 1.43Å | 1.43Å | |
CAT | HAT | sing | 1.09Å | 1.10Å | |
CAT | HATA | sing | 1.09Å | 1.10Å | |
CAU | NBE | sing | 1.47Å | 1.45Å | |
CAU | CBB | sing | 1.51Å | 1.53Å | |
CAU | HAU | sing | 1.09Å | 1.10Å | |
CAU | HAUA | sing | 1.09Å | 1.10Å | |
CBC | NAV | sing | 1.32Å | 1.36Å | Aromatic |
OAW | CAZ | sing | 1.36Å | 1.37Å | |
CBD | CBA | sing | 1.48Å | 1.40Å | |
CBB | CBD | sing | 1.39Å | 1.41Å | Aromatic |
NBF | CBC | sing | 1.39Å | 1.41Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAA | CAD | CAY | 176.8° | 179.9° |
CAX | OAB | HOAB | 109.5° | 117.0° |
OAB | CAX | OAC | 122.3° | 120.0° |
OAB | CAX | CAT | 119.8° | 120.0° |
OAC | CAX | CAT | 117.9° | 120.0° |
CAD | CAY | CAI | 121.1° | 120.0° |
CAD | CAY | CAJ | 122.8° | 120.1° |
CAF | CAE | CAG | 120.2° | 119.3° |
CAF | CAE | HAE | 119.9° | 120.3° |
CAE | CAF | CAH | 118.0° | 118.5° |
CAE | CAF | HAF | 121.0° | 120.7° |
CAG | CAE | HAE | 119.9° | 120.4° |
CAE | CAG | NAV | 120.2° | 120.9° |
CAE | CAG | HAG | 120.0° | 119.5° |
CAH | CAF | HAF | 121.0° | 120.8° |
CAF | CAH | CBC | 120.7° | 119.1° |
CAF | CAH | HAH | 119.6° | 120.4° |
NAV | CAG | HAG | 119.9° | 119.6° |
CAG | NAV | CBC | 122.2° | 121.6° |
CBC | CAH | HAH | 119.6° | 120.5° |
CAH | CBC | NAV | 118.6° | 120.6° |
CAH | CBC | NBF | 122.3° | 119.7° |
CAL | CAI | CAY | 121.2° | 120.0° |
CAL | CAI | HAI | 119.4° | 120.0° |
CAI | CAL | CBA | 123.4° | 120.0° |
CAI | CAL | HAL | 118.3° | 120.0° |
CAY | CAI | HAI | 119.4° | 120.1° |
CAI | CAY | CAJ | 116.1° | 119.9° |
CAM | CAJ | CAY | 122.1° | 120.0° |
CAM | CAJ | HAJ | 119.0° | 120.1° |
CAJ | CAM | CBA | 122.0° | 120.0° |
CAJ | CAM | HAM | 119.0° | 120.0° |
CAY | CAJ | HAJ | 119.0° | 120.0° |
CAZ | CAK | CAN | 119.5° | 120.1° |
CAZ | CAK | HAK | 120.2° | 119.9° |
CAK | CAZ | CAO | 119.6° | 120.1° |
CAK | CAZ | OAW | 119.1° | 119.9° |
CAN | CAK | HAK | 120.2° | 119.9° |
CAK | CAN | CBD | 121.6° | 119.9° |
CAK | CAN | HAN | 119.2° | 120.1° |
CBA | CAL | HAL | 118.3° | 120.0° |
CAL | CBA | CAM | 115.2° | 120.1° |
CAL | CBA | CBD | 122.3° | 119.9° |
CBA | CAM | HAM | 119.0° | 120.0° |
CAM | CBA | CBD | 122.5° | 120.0° |
CBD | CAN | HAN | 119.2° | 120.0° |
CAN | CBD | CBA | 118.5° | 120.0° |
CAN | CBD | CBB | 118.8° | 119.9° |
CBB | CAO | CAZ | 121.1° | 120.1° |
CBB | CAO | HAO | 119.4° | 120.0° |
CAO | CBB | CAU | 119.8° | 120.0° |
CAO | CBB | CBD | 119.4° | 120.0° |
CAZ | CAO | HAO | 119.5° | 120.0° |
CAO | CAZ | OAW | 121.4° | 120.0° |
NBE | CAP | CAR | 105.1° | 109.4° |
NBE | CAP | HAP | 110.5° | 109.5° |
NBE | CAP | HAPA | 110.6° | 109.6° |
CAP | NBE | CAQ | 112.3° | 110.9° |
CAP | NBE | CAU | 110.8° | 111.0° |
CAR | CAP | HAP | 110.6° | 109.5° |
CAR | CAP | HAPA | 110.6° | 109.5° |
CAP | CAR | NBF | 105.9° | 109.3° |
CAP | CAR | HAR | 110.4° | 109.5° |
CAP | CAR | HARA | 110.4° | 109.5° |
HAP | CAP | HAPA | 109.5° | 109.4° |
CAS | CAQ | NBE | 109.8° | 109.4° |
CAS | CAQ | HAQ | 109.4° | 109.5° |
CAS | CAQ | HAQA | 109.4° | 109.5° |
CAQ | CAS | NBF | 109.3° | 109.4° |
CAQ | CAS | HAS | 109.5° | 109.5° |
CAQ | CAS | HASA | 109.5° | 109.5° |
NBE | CAQ | HAQ | 109.4° | 109.4° |
NBE | CAQ | HAQA | 109.4° | 109.5° |
CAQ | NBE | CAU | 107.2° | 111.0° |
HAQ | CAQ | HAQA | 109.5° | 109.6° |
NBF | CAR | HAR | 110.4° | 109.5° |
NBF | CAR | HARA | 110.4° | 109.6° |
CAR | NBF | CAS | 112.6° | 110.9° |
CAR | NBF | CBC | 110.6° | 110.9° |
HAR | CAR | HARA | 109.4° | 109.5° |
NBF | CAS | HAS | 109.5° | 109.5° |
NBF | CAS | HASA | 109.5° | 109.6° |
CAS | NBF | CBC | 115.9° | 111.0° |
HAS | CAS | HASA | 109.5° | 109.5° |
CAX | CAT | OAW | 111.8° | 109.5° |
CAX | CAT | HAT | 108.9° | 109.4° |
CAX | CAT | HATA | 108.9° | 109.5° |
OAW | CAT | HAT | 108.9° | 109.5° |
OAW | CAT | HATA | 108.9° | 109.5° |
CAT | OAW | CAZ | 120.6° | 117.0° |
HAT | CAT | HATA | 109.5° | 109.5° |
NBE | CAU | CBB | 116.2° | 109.5° |
NBE | CAU | HAU | 107.8° | 109.5° |
NBE | CAU | HAUA | 107.8° | 109.5° |
CBB | CAU | HAU | 107.8° | 109.4° |
CBB | CAU | HAUA | 107.8° | 109.5° |
CAU | CBB | CBD | 120.8° | 120.0° |
HAU | CAU | HAUA | 109.5° | 109.5° |
NAV | CBC | NBF | 119.1° | 119.7° |
CBA | CBD | CBB | 122.7° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAA | CAD | CAY | CAI | 73.2° | 180.0° |
NAA | CAD | CAY | CAJ | 106.0° | 0.1° |
OAB | CAX | OAC | CAT | 179.9° | 180.0° |
OAB | CAX | CAT | OAW | 6.0° | 180.0° |
OAB | CAX | CAT | HAT | 126.4° | 60.0° |
OAB | CAX | CAT | HATA | 114.3° | 60.0° |
HOAB | OAB | CAX | OAC | 0.0° | 0.0° |
HOAB | OAB | CAX | CAT | 179.9° | 180.0° |
OAC | CAX | CAT | OAW | 174.0° | 0.0° |
OAC | CAX | CAT | HAT | 53.7° | 120.0° |
OAC | CAX | CAT | HATA | 65.6° | 120.0° |
CAD | CAY | CAI | CAL | 178.9° | 179.7° |
CAD | CAY | CAI | CAJ | 179.2° | 179.9° |
CAD | CAY | CAI | HAI | 1.1° | 0.0° |
CAD | CAY | CAJ | CAM | 179.2° | 179.5° |
CAD | CAY | CAJ | HAJ | 0.8° | 0.1° |
CAF | CAE | CAG | HAE | 180.0° | 179.7° |
CAE | CAF | CAH | HAF | 180.0° | 180.0° |
CAF | CAE | CAG | NAV | 0.5° | 0.3° |
CAF | CAE | CAG | HAG | 179.5° | 179.8° |
CAE | CAF | CAH | CBC | 0.2° | 0.0° |
CAE | CAF | CAH | HAH | 179.8° | 180.0° |
CAG | CAE | CAF | CAH | 1.2° | 0.0° |
CAG | CAE | CAF | HAF | 178.8° | 180.0° |
CAE | CAG | NAV | HAG | 180.0° | 179.9° |
CAE | CAG | NAV | CBC | 1.5° | 0.6° |
HAE | CAE | CAF | CAH | 178.8° | 179.7° |
HAE | CAE | CAF | HAF | 1.2° | 0.3° |
HAE | CAE | CAG | NAV | 179.6° | 180.0° |
HAE | CAE | CAG | HAG | 0.5° | 0.1° |
CAF | CAH | CBC | HAH | 180.0° | 180.0° |
CAF | CAH | CBC | NAV | 1.7° | 0.3° |
CAF | CAH | CBC | NBF | 179.0° | 180.0° |
HAF | CAF | CAH | CBC | 179.8° | 180.0° |
HAF | CAF | CAH | HAH | 0.2° | 0.0° |
CAG | NAV | CBC | CAH | 2.6° | 0.6° |
CAG | NAV | CBC | NBF | 179.9° | 179.7° |
HAG | CAG | NAV | CBC | 178.5° | 179.5° |
CAH | CBC | NBF | CAR | 158.9° | 56.2° |
CAH | CBC | NBF | CAS | 29.3° | 180.0° |
CAH | CBC | NAV | NBF | 177.4° | 179.7° |
HAH | CAH | CBC | NAV | 178.3° | 179.7° |
HAH | CAH | CBC | NBF | 1.0° | 0.0° |
CAL | CAI | CAY | HAI | 180.0° | 179.7° |
CAL | CAI | CAY | CAJ | 0.3° | 0.2° |
CAI | CAL | CBA | HAL | 180.0° | 180.0° |
CAI | CAL | CBA | CAM | 0.7° | 0.1° |
CAI | CAL | CBA | CBD | 179.4° | 180.0° |
CAI | CAY | CAJ | CAM | 0.0° | 0.5° |
CAI | CAY | CAJ | HAJ | 180.0° | 179.9° |
CAY | CAI | CAL | CBA | 0.7° | 0.1° |
CAY | CAI | CAL | HAL | 179.3° | 180.0° |
HAI | CAI | CAY | CAJ | 179.7° | 180.0° |
HAI | CAI | CAL | CBA | 179.3° | 179.7° |
HAI | CAI | CAL | HAL | 0.7° | 0.3° |
CAM | CAJ | CAY | HAJ | 180.0° | 179.6° |
CAJ | CAM | CBA | CAL | 0.3° | 0.1° |
CAJ | CAM | CBA | HAM | 180.0° | 179.9° |
CAJ | CAM | CBA | CBD | 179.8° | 179.8° |
CAY | CAJ | CAM | CBA | 0.0° | 0.4° |
CAY | CAJ | CAM | HAM | 180.0° | 179.5° |
HAJ | CAJ | CAM | CBA | 180.0° | 180.0° |
HAJ | CAJ | CAM | HAM | 0.0° | 0.1° |
CAZ | CAK | CAN | HAK | 180.0° | 179.7° |
CAZ | CAK | CAN | CBD | 0.4° | 0.3° |
CAZ | CAK | CAN | HAN | 179.7° | 179.7° |
CAK | CAZ | CAO | CBB | 0.6° | 0.5° |
CAK | CAZ | CAO | OAW | 179.5° | 180.0° |
CAK | CAZ | CAO | HAO | 179.4° | 179.8° |
CAK | CAZ | OAW | CAT | 152.5° | 0.0° |
CAK | CAN | CBD | HAN | 180.0° | 180.0° |
CAN | CAK | CAZ | CAO | 0.4° | 0.0° |
CAN | CAK | CAZ | OAW | 179.9° | 180.0° |
CAK | CAN | CBD | CBA | 179.8° | 179.5° |
CAK | CAN | CBD | CBB | 0.5° | 0.1° |
HAK | CAK | CAN | CBD | 179.7° | 180.0° |
HAK | CAK | CAN | HAN | 0.3° | 0.0° |
HAK | CAK | CAZ | CAO | 179.6° | 179.7° |
HAK | CAK | CAZ | OAW | 0.1° | 0.3° |
CAL | CBA | CAM | CBD | 179.9° | 179.9° |
CAL | CBA | CAM | HAM | 179.7° | 179.8° |
CAL | CBA | CBD | CAN | 178.7° | 57.0° |
CAL | CBA | CBD | CBB | 0.6° | 122.5° |
HAL | CAL | CBA | CAM | 179.3° | 179.9° |
HAL | CAL | CBA | CBD | 0.6° | 0.0° |
CAM | CBA | CBD | CAN | 1.2° | 122.9° |
CAM | CBA | CBD | CBB | 179.5° | 57.5° |
HAM | CAM | CBA | CBD | 0.2° | 0.3° |
CAN | CBD | CBB | CAO | 0.6° | 0.4° |
CAN | CBD | CBB | CAU | 179.2° | 179.8° |
CAN | CBD | CBA | CBB | 179.4° | 179.6° |
HAN | CAN | CBD | CBA | 0.2° | 0.5° |
HAN | CAN | CBD | CBB | 179.6° | 179.9° |
CBB | CAO | CAZ | HAO | 180.0° | 179.3° |
CAO | CBB | CAU | NBE | 42.2° | 106.4° |
CAO | CBB | CAU | CBD | 178.6° | 179.3° |
CAO | CBB | CAU | HAU | 163.1° | 133.6° |
CAO | CBB | CAU | HAUA | 78.8° | 13.6° |
CBB | CAO | CAZ | OAW | 179.9° | 179.5° |
CAO | CBB | CBD | CBA | 179.9° | 180.0° |
CAO | CAZ | OAW | CAT | 27.0° | 180.0° |
CAZ | CAO | CBB | CAU | 179.3° | 180.0° |
CAZ | CAO | CBB | CBD | 0.6° | 0.7° |
HAO | CAO | CBB | CAU | 0.7° | 0.6° |
HAO | CAO | CAZ | OAW | 0.1° | 0.2° |
HAO | CAO | CBB | CBD | 179.3° | 180.0° |
NBE | CAP | CAR | HAP | 119.3° | 120.0° |
NBE | CAP | CAR | HAPA | 119.3° | 120.1° |
NBE | CAP | HAP | HAPA | 122.0° | 120.1° |
CAP | NBE | CAQ | CAS | 56.9° | 59.3° |
CAP | NBE | CAQ | CAU | 121.9° | 123.8° |
CAP | NBE | CAQ | HAQ | 63.1° | 60.6° |
CAP | NBE | CAQ | HAQA | 177.0° | 179.3° |
NBE | CAP | CAR | NBF | 67.7° | 58.4° |
NBE | CAP | CAR | HAR | 172.9° | 178.4° |
NBE | CAP | CAR | HARA | 51.8° | 61.6° |
CAP | NBE | CAU | CBB | 65.6° | 71.9° |
CAP | NBE | CAU | HAU | 55.4° | 168.2° |
CAP | NBE | CAU | HAUA | 173.5° | 48.2° |
CAR | CAP | HAP | HAPA | 122.0° | 120.0° |
CAR | CAP | NBE | CAQ | 66.1° | 59.4° |
CAP | CAR | NBF | HAR | 119.4° | 119.9° |
CAP | CAR | NBF | HARA | 119.5° | 119.9° |
CAP | CAR | HAR | HARA | 121.7° | 120.0° |
CAP | CAR | NBF | CAS | 65.6° | 59.3° |
CAR | CAP | NBE | CAU | 174.1° | 176.8° |
CAP | CAR | NBF | CBC | 163.1° | 176.8° |
HAP | CAP | NBE | CAQ | 53.2° | 179.3° |
HAP | CAP | CAR | NBF | 51.6° | 178.4° |
HAP | CAP | CAR | HAR | 67.8° | 61.6° |
HAP | CAP | CAR | HARA | 171.0° | 58.4° |
HAP | CAP | NBE | CAU | 66.6° | 56.9° |
HAPA | CAP | NBE | CAQ | 174.6° | 60.7° |
HAPA | CAP | CAR | NBF | 173.0° | 61.6° |
HAPA | CAP | CAR | HAR | 53.6° | 58.3° |
HAPA | CAP | CAR | HARA | 67.6° | 178.4° |
HAPA | CAP | NBE | CAU | 54.8° | 63.2° |
CAS | CAQ | NBE | HAQ | 120.0° | 119.9° |
CAS | CAQ | NBE | HAQA | 120.1° | 120.0° |
CAS | CAQ | HAQ | HAQA | 119.9° | 120.1° |
CAQ | CAS | NBF | CAR | 55.7° | 59.3° |
CAQ | CAS | NBF | HAS | 120.0° | 119.9° |
CAQ | CAS | NBF | HASA | 120.0° | 120.0° |
CAQ | CAS | HAS | HASA | 120.1° | 120.0° |
CAS | CAQ | NBE | CAU | 178.8° | 176.8° |
CAQ | CAS | NBF | CBC | 175.6° | 176.8° |
NBE | CAQ | HAQ | HAQA | 119.9° | 120.1° |
NBE | CAQ | CAS | NBF | 48.6° | 58.4° |
NBE | CAQ | CAS | HAS | 71.4° | 61.6° |
NBE | CAQ | CAS | HASA | 168.5° | 178.4° |
CAQ | NBE | CAU | CBB | 171.6° | 164.4° |
CAQ | NBE | CAU | HAU | 67.5° | 44.4° |
CAQ | NBE | CAU | HAUA | 50.6° | 75.6° |
HAQ | CAQ | CAS | NBF | 71.5° | 61.5° |
HAQ | CAQ | CAS | HAS | 168.6° | 178.5° |
HAQ | CAQ | CAS | HASA | 48.5° | 58.5° |
HAQ | CAQ | NBE | CAU | 58.8° | 63.2° |
HAQA | CAQ | CAS | NBF | 168.6° | 178.3° |
HAQA | CAQ | CAS | HAS | 48.7° | 58.4° |
HAQA | CAQ | CAS | HASA | 71.4° | 61.7° |
HAQA | CAQ | NBE | CAU | 61.1° | 56.9° |
NBF | CAR | HAR | HARA | 121.6° | 120.2° |
CAR | NBF | CAS | CBC | 128.6° | 123.8° |
CAR | NBF | CAS | HAS | 64.2° | 60.6° |
CAR | NBF | CAS | HASA | 175.7° | 179.3° |
CAR | NBF | CBC | NAV | 23.8° | 123.5° |
HAR | CAR | NBF | CAS | 175.0° | 179.3° |
HAR | CAR | NBF | CBC | 43.6° | 56.9° |
HARA | CAR | NBF | CAS | 53.9° | 60.6° |
HARA | CAR | NBF | CBC | 77.5° | 63.3° |
NBF | CAS | HAS | HASA | 120.1° | 120.1° |
CAS | NBF | CBC | NAV | 153.4° | 0.3° |
HAS | CAS | NBF | CBC | 64.4° | 63.3° |
HASA | CAS | NBF | CBC | 55.7° | 56.9° |
CAX | CAT | OAW | HAT | 120.3° | 120.0° |
CAX | CAT | OAW | HATA | 120.4° | 120.0° |
CAX | CAT | HAT | HATA | 119.0° | 120.0° |
CAX | CAT | OAW | CAZ | 88.5° | 180.0° |
OAW | CAT | HAT | HATA | 118.9° | 120.0° |
HAT | CAT | OAW | CAZ | 31.8° | 60.0° |
HATA | CAT | OAW | CAZ | 151.1° | 60.0° |
NBE | CAU | CBB | HAU | 121.0° | 120.0° |
NBE | CAU | CBB | HAUA | 121.0° | 120.0° |
NBE | CAU | HAU | HAUA | 117.0° | 120.0° |
NBE | CAU | CBB | CBD | 139.2° | 74.3° |
CBB | CAU | HAU | HAUA | 116.9° | 120.0° |
CAU | CBB | CBD | CBA | 1.5° | 0.7° |
HAU | CAU | CBB | CBD | 18.3° | 45.7° |
HAUA | CAU | CBB | CBD | 99.8° | 165.7° |