DRN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CBD | NBC | doub | 1.34Å | 1.34Å | |
CBD | SAT | sing | 1.77Å | 1.77Å | |
CBD | NAB | sing | 1.34Å | 1.34Å | |
CBF | CBE | sing | 1.52Å | 1.52Å | |
CBF | CA0 | sing | 1.51Å | 1.51Å | |
CBE | SAT | sing | 1.83Å | 1.83Å | |
CAY | NAH | sing | 1.50Å | 1.50Å | |
NAH | CAW | sing | 1.33Å | 1.33Å | Aromatic |
NAH | CAE | sing | 1.33Å | 1.33Å | Aromatic |
CAW | CAG | doub | 1.34Å | 1.34Å | Aromatic |
CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
CAA | CAB | sing | 1.40Å | 1.40Å | Aromatic |
CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.40Å | 1.40Å | Aromatic |
CAD | CAG | sing | 1.41Å | 1.41Å | Aromatic |
CAG | CAI | sing | 1.42Å | 1.42Å | |
CAI | CAT | sing | 1.40Å | 1.40Å | |
CAI | CAJ | doub | 1.40Å | 1.40Å | |
CAT | OAZ | doub | 1.23Å | 1.23Å | |
CAT | NAU | sing | 1.34Å | 1.34Å | |
NAU | CAV | sing | 1.34Å | 1.34Å | |
CAV | OAX | doub | 1.24Å | 1.24Å | |
CAV | CAJ | sing | 1.40Å | 1.40Å | |
CAJ | CAK | sing | 1.40Å | 1.40Å | |
CAK | CAM | sing | 1.40Å | 1.40Å | |
CAK | CAL | doub | 1.33Å | 1.33Å | |
CAM | CAP | sing | 1.40Å | 1.40Å | Aromatic |
CAM | CAN | doub | 1.39Å | 1.39Å | Aromatic |
CAP | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAQ | CAR | sing | 1.39Å | 1.39Å | Aromatic |
CAR | CAS | doub | 1.39Å | 1.39Å | Aromatic |
CAS | CAN | sing | 1.39Å | 1.39Å | Aromatic |
CAN | NAO | sing | 1.33Å | 1.33Å | |
NAO | CAL | sing | 1.33Å | 1.33Å | |
NAO | CA0 | sing | 1.47Å | 1.47Å | |
NBC | HBC | sing | 1.00Å | 1.00Å | |
NAB | HAB1 | sing | 1.00Å | 1.00Å | |
NAB | HAB2 | sing | 1.00Å | 1.00Å | |
CBF | HBF1 | sing | 1.10Å | 1.10Å | |
CBF | HBF2 | sing | 1.10Å | 1.10Å | |
CBE | HBE1 | sing | 1.10Å | 1.10Å | |
CBE | HBE2 | sing | 1.10Å | 1.10Å | |
CA0 | HA01 | sing | 1.10Å | 1.10Å | |
CA0 | HA02 | sing | 1.10Å | 1.10Å | |
CAY | HAY1 | sing | 1.10Å | 1.10Å | |
CAY | HAY2 | sing | 1.10Å | 1.10Å | |
CAY | HAY3 | sing | 1.10Å | 1.10Å | |
CAW | HAW | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAA | HAA | sing | 1.08Å | 1.08Å | |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
NAU | HAU | sing | 1.00Å | 1.00Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAP | HAP | sing | 1.08Å | 1.08Å | |
CAQ | HAQ | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAS | HAS | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NBC | CBD | SAT | 119.3° | 119.3° |
NBC | CBD | NAB | 119.9° | 119.9° |
CBD | NBC | HBC | 105.6° | 105.6° |
SAT | CBD | NAB | 120.8° | 120.8° |
CBD | SAT | CBE | 99.2° | 99.2° |
CBD | NAB | HAB1 | 105.6° | 105.6° |
CBD | NAB | HAB2 | 127.2° | 127.2° |
CBE | CBF | CA0 | 109.4° | 109.4° |
CBF | CBE | SAT | 112.1° | 112.1° |
CBE | CBF | HBF1 | 109.5° | 109.5° |
CBE | CBF | HBF2 | 109.5° | 109.5° |
CBF | CBE | HBE1 | 108.6° | 108.6° |
CBF | CBE | HBE2 | 108.0° | 108.0° |
CBF | CA0 | NAO | 111.2° | 111.2° |
CA0 | CBF | HBF1 | 109.5° | 109.5° |
CA0 | CBF | HBF2 | 109.5° | 109.5° |
CBF | CA0 | HA01 | 108.9° | 108.9° |
CBF | CA0 | HA02 | 108.5° | 108.5° |
SAT | CBE | HBE1 | 108.6° | 108.6° |
SAT | CBE | HBE2 | 108.0° | 108.0° |
CAY | NAH | CAW | 124.9° | 124.9° |
CAY | NAH | CAE | 124.4° | 124.4° |
NAH | CAY | HAY1 | 109.5° | 109.5° |
NAH | CAY | HAY2 | 109.5° | 109.5° |
NAH | CAY | HAY3 | 109.5° | 109.5° |
CAW | NAH | CAE | 110.7° | 110.7° |
NAH | CAW | CAG | 108.9° | 108.9° |
NAH | CAW | HAW | 125.5° | 125.5° |
NAH | CAE | CAF | 132.4° | 132.4° |
NAH | CAE | CAD | 106.9° | 106.9° |
CAW | CAG | CAD | 107.1° | 107.1° |
CAW | CAG | CAI | 126.3° | 126.3° |
CAG | CAW | HAW | 125.5° | 125.5° |
CAF | CAE | CAD | 120.7° | 120.7° |
CAE | CAF | CAA | 119.5° | 119.5° |
CAE | CAF | HAF | 120.3° | 120.3° |
CAE | CAD | CAC | 119.3° | 119.3° |
CAE | CAD | CAG | 106.4° | 106.4° |
CAF | CAA | CAB | 120.4° | 120.4° |
CAA | CAF | HAF | 120.2° | 120.2° |
CAF | CAA | HAA | 119.8° | 119.8° |
CAA | CAB | CAC | 119.7° | 119.7° |
CAB | CAA | HAA | 119.8° | 119.8° |
CAA | CAB | HAB | 120.2° | 120.2° |
CAB | CAC | CAD | 120.4° | 120.4° |
CAC | CAB | HAB | 120.2° | 120.2° |
CAB | CAC | HAC | 119.8° | 119.8° |
CAC | CAD | CAG | 134.3° | 134.3° |
CAD | CAC | HAC | 119.8° | 119.8° |
CAD | CAG | CAI | 126.7° | 126.7° |
CAG | CAI | CAT | 124.4° | 124.4° |
CAG | CAI | CAJ | 130.6° | 130.6° |
CAT | CAI | CAJ | 104.9° | 104.9° |
CAI | CAT | OAZ | 125.4° | 125.4° |
CAI | CAT | NAU | 110.6° | 110.6° |
CAI | CAJ | CAV | 106.8° | 106.8° |
CAI | CAJ | CAK | 127.1° | 127.1° |
OAZ | CAT | NAU | 124.0° | 124.0° |
CAT | NAU | CAV | 108.3° | 108.3° |
CAT | NAU | HAU | 125.8° | 125.8° |
NAU | CAV | OAX | 124.1° | 124.1° |
NAU | CAV | CAJ | 109.3° | 109.3° |
CAV | NAU | HAU | 125.8° | 125.8° |
OAX | CAV | CAJ | 126.6° | 126.6° |
CAV | CAJ | CAK | 126.0° | 126.0° |
CAJ | CAK | CAM | 123.9° | 123.9° |
CAJ | CAK | CAL | 127.6° | 127.6° |
CAM | CAK | CAL | 108.5° | 108.5° |
CAK | CAM | CAP | 134.2° | 134.2° |
CAK | CAM | CAN | 105.9° | 105.9° |
CAK | CAL | NAO | 107.8° | 107.8° |
CAK | CAL | HAL | 126.1° | 126.1° |
CAP | CAM | CAN | 119.9° | 119.9° |
CAM | CAP | CAQ | 120.4° | 120.4° |
CAM | CAP | HAP | 119.8° | 119.8° |
CAM | CAN | CAS | 119.3° | 119.3° |
CAM | CAN | NAO | 106.2° | 106.2° |
CAP | CAQ | CAR | 119.6° | 119.6° |
CAQ | CAP | HAP | 119.8° | 119.8° |
CAP | CAQ | HAQ | 120.2° | 120.2° |
CAQ | CAR | CAS | 119.8° | 119.8° |
CAR | CAQ | HAQ | 120.2° | 120.2° |
CAQ | CAR | HAR | 120.1° | 120.1° |
CAR | CAS | CAN | 121.0° | 121.0° |
CAS | CAR | HAR | 120.1° | 120.1° |
CAR | CAS | HAS | 119.5° | 119.5° |
CAS | CAN | NAO | 134.5° | 134.5° |
CAN | CAS | HAS | 119.5° | 119.5° |
CAN | NAO | CAL | 111.7° | 111.7° |
CAN | NAO | CA0 | 126.2° | 126.2° |
CAL | NAO | CA0 | 122.1° | 122.1° |
NAO | CAL | HAL | 126.1° | 126.1° |
NAO | CA0 | HA01 | 108.9° | 108.9° |
NAO | CA0 | HA02 | 108.5° | 108.5° |
HAB1 | NAB | HAB2 | 127.2° | 127.2° |
HBF1 | CBF | HBF2 | 109.4° | 109.4° |
HBE1 | CBE | HBE2 | 111.5° | 111.5° |
HA01 | CA0 | HA02 | 110.8° | 110.8° |
HAY1 | CAY | HAY2 | 109.4° | 109.5° |
HAY1 | CAY | HAY3 | 109.5° | 109.4° |
HAY2 | CAY | HAY3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NBC | CBD | SAT | NAB | 180.0° | 180.0° |
NBC | CBD | SAT | CBE | 139.4° | 139.4° |
NBC | CBD | NAB | HAB1 | 0.0° | 0.0° |
NBC | CBD | NAB | HAB2 | 180.0° | 180.0° |
CBD | SAT | CBE | CBF | 109.2° | 109.2° |
SAT | CBD | NBC | HBC | 0.0° | 0.0° |
SAT | CBD | NAB | HAB1 | 180.0° | 180.0° |
SAT | CBD | NAB | HAB2 | 0.1° | 0.0° |
CBD | SAT | CBE | HBE1 | 130.8° | 130.8° |
CBD | SAT | CBE | HBE2 | 9.7° | 9.7° |
NAB | CBD | SAT | CBE | 40.7° | 40.7° |
NAB | CBD | NBC | HBC | 180.0° | 180.0° |
CBD | NAB | HAB1 | HAB2 | 179.9° | 180.0° |
CBE | CBF | CA0 | HBF1 | 120.0° | 120.0° |
CBE | CBF | CA0 | HBF2 | 120.0° | 120.0° |
CBF | CBE | SAT | HBE1 | 120.0° | 120.0° |
CBF | CBE | SAT | HBE2 | 118.9° | 118.9° |
CBE | CBF | CA0 | NAO | 146.4° | 146.4° |
CBE | CBF | HBF1 | HBF2 | 120.0° | 120.0° |
CBF | CBE | HBE1 | HBE2 | 118.9° | 118.9° |
CBE | CBF | CA0 | HA01 | 93.6° | 93.7° |
CBE | CBF | CA0 | HA02 | 27.1° | 27.1° |
CA0 | CBF | CBE | SAT | 176.5° | 176.5° |
CBF | CA0 | NAO | CAN | 97.0° | 97.0° |
CBF | CA0 | NAO | CAL | 85.5° | 85.5° |
CBF | CA0 | NAO | HA01 | 120.0° | 120.0° |
CBF | CA0 | NAO | HA02 | 119.3° | 119.3° |
CA0 | CBF | HBF1 | HBF2 | 120.0° | 120.0° |
CA0 | CBF | CBE | HBE1 | 56.5° | 56.5° |
CA0 | CBF | CBE | HBE2 | 64.6° | 64.6° |
CBF | CA0 | HA01 | HA02 | 119.3° | 119.3° |
SAT | CBE | CBF | HBF1 | 56.5° | 56.5° |
SAT | CBE | CBF | HBF2 | 63.5° | 63.5° |
SAT | CBE | HBE1 | HBE2 | 118.9° | 118.9° |
CAY | NAH | CAW | CAE | 179.3° | 179.3° |
CAY | NAH | CAW | CAG | 179.9° | 179.9° |
CAY | NAH | CAE | CAF | 0.0° | 0.0° |
CAY | NAH | CAE | CAD | 179.6° | 179.6° |
NAH | CAY | HAY1 | HAY2 | 120.0° | 120.0° |
NAH | CAY | HAY1 | HAY3 | 120.0° | 120.0° |
NAH | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
CAY | NAH | CAW | HAW | 0.1° | 0.1° |
NAH | CAW | CAG | HAW | 180.0° | 180.0° |
CAW | NAH | CAE | CAF | 179.4° | 179.4° |
CAW | NAH | CAE | CAD | 0.3° | 0.3° |
NAH | CAW | CAG | CAD | 0.7° | 0.7° |
NAH | CAW | CAG | CAI | 179.9° | 179.9° |
CAW | NAH | CAY | HAY1 | 171.9° | 171.9° |
CAW | NAH | CAY | HAY2 | 68.1° | 68.1° |
CAW | NAH | CAY | HAY3 | 51.9° | 51.9° |
CAE | NAH | CAW | CAG | 0.6° | 0.6° |
NAH | CAE | CAF | CAD | 179.6° | 179.6° |
NAH | CAE | CAF | CAA | 179.8° | 179.8° |
NAH | CAE | CAD | CAC | 179.4° | 179.4° |
NAH | CAE | CAD | CAG | 0.2° | 0.2° |
CAE | NAH | CAY | HAY1 | 8.9° | 8.9° |
CAE | NAH | CAY | HAY2 | 111.1° | 111.1° |
CAE | NAH | CAY | HAY3 | 128.9° | 128.9° |
CAE | NAH | CAW | HAW | 179.4° | 179.4° |
NAH | CAE | CAF | HAF | 0.2° | 0.2° |
CAW | CAG | CAD | CAE | 0.6° | 0.6° |
CAW | CAG | CAD | CAC | 179.0° | 179.0° |
CAW | CAG | CAD | CAI | 179.4° | 179.4° |
CAW | CAG | CAI | CAT | 33.3° | 33.3° |
CAW | CAG | CAI | CAJ | 145.7° | 145.7° |
CAE | CAF | CAA | HAF | 180.0° | 180.0° |
CAE | CAF | CAA | CAB | 0.3° | 0.3° |
CAF | CAE | CAD | CAC | 0.2° | 0.2° |
CAF | CAE | CAD | CAG | 179.9° | 179.9° |
CAE | CAF | CAA | HAA | 179.8° | 179.8° |
CAD | CAE | CAF | CAA | 0.2° | 0.2° |
CAE | CAD | CAC | CAB | 0.7° | 0.7° |
CAE | CAD | CAC | CAG | 179.5° | 179.5° |
CAE | CAD | CAG | CAI | 179.9° | 179.9° |
CAD | CAE | CAF | HAF | 179.8° | 179.8° |
CAE | CAD | CAC | HAC | 179.3° | 179.3° |
CAF | CAA | CAB | HAA | 180.0° | 180.0° |
CAF | CAA | CAB | CAC | 0.2° | 0.2° |
CAF | CAA | CAB | HAB | 179.8° | 179.8° |
CAA | CAB | CAC | HAB | 180.0° | 180.0° |
CAA | CAB | CAC | CAD | 0.7° | 0.7° |
CAB | CAA | CAF | HAF | 179.7° | 179.7° |
CAA | CAB | CAC | HAC | 179.3° | 179.3° |
CAB | CAC | CAD | HAC | 180.0° | 180.0° |
CAB | CAC | CAD | CAG | 179.8° | 179.8° |
CAC | CAB | CAA | HAA | 179.8° | 179.8° |
CAC | CAD | CAG | CAI | 0.4° | 0.4° |
CAD | CAC | CAB | HAB | 179.3° | 179.3° |
CAD | CAG | CAI | CAT | 145.9° | 145.9° |
CAD | CAG | CAI | CAJ | 35.0° | 35.0° |
CAD | CAG | CAW | HAW | 179.3° | 179.3° |
CAG | CAD | CAC | HAC | 0.2° | 0.2° |
CAG | CAI | CAT | CAJ | 179.2° | 179.2° |
CAG | CAI | CAT | OAZ | 1.7° | 1.7° |
CAG | CAI | CAT | NAU | 179.7° | 179.7° |
CAG | CAI | CAJ | CAV | 179.7° | 179.7° |
CAG | CAI | CAJ | CAK | 0.8° | 0.8° |
CAI | CAG | CAW | HAW | 0.1° | 0.1° |
CAI | CAT | OAZ | NAU | 177.8° | 177.8° |
CAI | CAT | NAU | CAV | 1.1° | 1.1° |
CAT | CAI | CAJ | CAV | 0.5° | 0.5° |
CAT | CAI | CAJ | CAK | 180.0° | 180.0° |
CAI | CAT | NAU | HAU | 178.9° | 178.9° |
CAJ | CAI | CAT | OAZ | 179.1° | 179.1° |
CAJ | CAI | CAT | NAU | 1.0° | 1.0° |
CAI | CAJ | CAV | NAU | 0.1° | 0.1° |
CAI | CAJ | CAV | OAX | 180.0° | 180.0° |
CAI | CAJ | CAV | CAK | 179.5° | 179.5° |
CAI | CAJ | CAK | CAM | 131.3° | 131.3° |
CAI | CAJ | CAK | CAL | 47.7° | 47.7° |
OAZ | CAT | NAU | CAV | 179.3° | 179.3° |
OAZ | CAT | NAU | HAU | 0.8° | 0.8° |
CAT | NAU | CAV | HAU | 180.0° | 180.0° |
CAT | NAU | CAV | OAX | 179.4° | 179.4° |
CAT | NAU | CAV | CAJ | 0.8° | 0.8° |
NAU | CAV | OAX | CAJ | 179.8° | 179.8° |
NAU | CAV | CAJ | CAK | 179.3° | 179.3° |
OAX | CAV | CAJ | CAK | 0.5° | 0.5° |
OAX | CAV | NAU | HAU | 0.6° | 0.6° |
CAV | CAJ | CAK | CAM | 48.1° | 48.1° |
CAV | CAJ | CAK | CAL | 132.9° | 132.9° |
CAJ | CAV | NAU | HAU | 179.2° | 179.2° |
CAJ | CAK | CAM | CAL | 179.1° | 179.1° |
CAJ | CAK | CAM | CAP | 1.1° | 1.1° |
CAJ | CAK | CAM | CAN | 179.3° | 179.3° |
CAJ | CAK | CAL | NAO | 178.7° | 178.7° |
CAJ | CAK | CAL | HAL | 1.4° | 1.3° |
CAK | CAM | CAP | CAN | 179.5° | 179.5° |
CAK | CAM | CAP | CAQ | 179.7° | 179.7° |
CAK | CAM | CAN | CAS | 179.8° | 179.8° |
CAK | CAM | CAN | NAO | 0.6° | 0.6° |
CAM | CAK | CAL | NAO | 0.4° | 0.4° |
CAM | CAK | CAL | HAL | 179.5° | 179.6° |
CAK | CAM | CAP | HAP | 0.3° | 0.3° |
CAL | CAK | CAM | CAP | 179.7° | 179.7° |
CAL | CAK | CAM | CAN | 0.1° | 0.1° |
CAK | CAL | NAO | CAN | 0.9° | 0.9° |
CAK | CAL | NAO | HAL | 180.0° | 180.0° |
CAK | CAL | NAO | CA0 | 178.7° | 178.7° |
CAM | CAP | CAQ | HAP | 180.0° | 180.0° |
CAM | CAP | CAQ | CAR | 0.2° | 0.2° |
CAP | CAM | CAN | CAS | 0.6° | 0.6° |
CAP | CAM | CAN | NAO | 179.7° | 179.7° |
CAM | CAP | CAQ | HAQ | 179.8° | 179.8° |
CAN | CAM | CAP | CAQ | 0.2° | 0.2° |
CAM | CAN | CAS | CAR | 0.5° | 0.5° |
CAM | CAN | CAS | NAO | 178.8° | 178.8° |
CAM | CAN | NAO | CAL | 1.0° | 1.0° |
CAM | CAN | NAO | CA0 | 178.7° | 178.7° |
CAN | CAM | CAP | HAP | 179.8° | 179.8° |
CAM | CAN | CAS | HAS | 179.4° | 179.4° |
CAP | CAQ | CAR | HAQ | 180.0° | 180.0° |
CAP | CAQ | CAR | CAS | 0.2° | 0.2° |
CAP | CAQ | CAR | HAR | 179.8° | 179.8° |
CAQ | CAR | CAS | HAR | 180.0° | 180.0° |
CAQ | CAR | CAS | CAN | 0.2° | 0.2° |
CAR | CAQ | CAP | HAP | 179.8° | 179.8° |
CAQ | CAR | CAS | HAS | 179.8° | 179.8° |
CAR | CAS | CAN | HAS | 180.0° | 180.0° |
CAR | CAS | CAN | NAO | 179.4° | 179.4° |
CAS | CAR | CAQ | HAQ | 179.8° | 179.8° |
CAS | CAN | NAO | CAL | 179.9° | 179.9° |
CAS | CAN | NAO | CA0 | 2.4° | 2.4° |
CAN | CAS | CAR | HAR | 179.8° | 179.8° |
CAN | NAO | CAL | CA0 | 177.9° | 177.9° |
CAN | NAO | CA0 | HA01 | 23.0° | 23.0° |
CAN | NAO | CA0 | HA02 | 143.7° | 143.7° |
CAN | NAO | CAL | HAL | 179.1° | 179.1° |
NAO | CAN | CAS | HAS | 0.6° | 0.6° |
CAL | NAO | CA0 | HA01 | 154.5° | 154.5° |
CAL | NAO | CA0 | HA02 | 33.8° | 33.8° |
NAO | CA0 | CBF | HBF1 | 26.4° | 26.4° |
NAO | CA0 | CBF | HBF2 | 93.6° | 93.6° |
NAO | CA0 | HA01 | HA02 | 119.3° | 119.3° |
CA0 | NAO | CAL | HAL | 1.2° | 1.3° |
HBF1 | CBF | CBE | HBE1 | 63.5° | 63.5° |
HBF1 | CBF | CBE | HBE2 | 175.4° | 175.4° |
HBF1 | CBF | CA0 | HA01 | 146.4° | 146.3° |
HBF1 | CBF | CA0 | HA02 | 92.9° | 92.9° |
HBF2 | CBF | CBE | HBE1 | 176.5° | 176.5° |
HBF2 | CBF | CBE | HBE2 | 55.4° | 55.4° |
HBF2 | CBF | CA0 | HA01 | 26.4° | 26.4° |
HBF2 | CBF | CA0 | HA02 | 147.1° | 147.1° |
HAY1 | CAY | HAY2 | HAY3 | 120.0° | 119.9° |
HAF | CAF | CAA | HAA | 0.2° | 0.2° |
HAA | CAA | CAB | HAB | 0.2° | 0.2° |
HAB | CAB | CAC | HAC | 0.7° | 0.7° |
HAP | CAP | CAQ | HAQ | 0.2° | 0.2° |
HAQ | CAQ | CAR | HAR | 0.2° | 0.2° |
HAR | CAR | CAS | HAS | 0.2° | 0.2° |