093
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAM | SAN | doub | 1.42Å | 1.49Å | |
SAN | OAO | doub | 1.42Å | 1.49Å | |
SAN | NAU | sing | 1.66Å | 1.52Å | |
SAN | CAF | sing | 1.76Å | 1.77Å | |
NAU | CAV | sing | 1.46Å | 1.46Å | |
NAU | HAU | sing | 0.97Å | 1.02Å | |
CAV | CAW | sing | 1.53Å | 1.53Å | |
CAV | HAV1 | sing | 1.09Å | 1.11Å | |
CAV | HAV2 | sing | 1.09Å | 1.12Å | |
CAW | OAX | sing | 1.43Å | 1.42Å | |
CAW | HAW1 | sing | 1.09Å | 1.12Å | |
CAW | HAW2 | sing | 1.09Å | 1.11Å | |
OAX | HAX | sing | 0.97Å | 0.95Å | |
CAF | CAB | doub | 1.38Å | 1.40Å | Aromatic |
CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAB | CL | sing | 1.74Å | 1.73Å | |
CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
CAC | HAC | sing | 1.08Å | 1.10Å | |
CAD | CAH | sing | 1.40Å | 1.39Å | Aromatic |
CAD | HAD | sing | 1.08Å | 1.10Å | |
CAG | CAH | doub | 1.40Å | 1.40Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.10Å | |
CAH | CAI | sing | 1.48Å | 1.40Å | Aromatic |
CAI | CAJ | doub | 1.35Å | 1.39Å | Aromatic |
CAI | SAP | sing | 1.78Å | 1.71Å | Aromatic |
CAJ | CAE | sing | 1.51Å | 1.53Å | |
CAJ | NAK | sing | 1.35Å | 1.33Å | Aromatic |
CAE | HAE1 | sing | 1.09Å | 1.11Å | |
CAE | HAE2 | sing | 1.09Å | 1.12Å | |
CAE | HAE3 | sing | 1.09Å | 1.11Å | |
NAK | CAQ | sing | 1.36Å | 1.33Å | Aromatic |
NAK | HAK | sing | 0.97Å | 1.02Å | |
SAP | CAQ | sing | 1.74Å | 1.72Å | Aromatic |
CAQ | NAR | doub | 1.33Å | 1.34Å | |
NAR | CAS | sing | 1.33Å | 1.34Å | |
CAS | OAL | doub | 1.22Å | 1.22Å | |
CAS | CAT | sing | 1.51Å | 1.50Å | |
CAT | HAT1 | sing | 1.09Å | 1.11Å | |
CAT | HAT2 | sing | 1.09Å | 1.12Å | |
CAT | HAT3 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAM | SAN | OAO | 107.9° | 125.3° |
OAM | SAN | NAU | 110.2° | 105.8° |
OAM | SAN | CAF | 108.5° | 105.8° |
OAO | SAN | NAU | 108.1° | 105.7° |
OAO | SAN | CAF | 109.4° | 105.7° |
NAU | SAN | CAF | 112.7° | 107.4° |
SAN | NAU | CAV | 120.5° | 120.0° |
SAN | NAU | HAU | 119.8° | 120.0° |
SAN | CAF | CAB | 121.7° | 120.0° |
SAN | CAF | CAG | 120.7° | 119.9° |
CAV | NAU | HAU | 119.7° | 120.1° |
NAU | CAV | CAW | 106.1° | 109.4° |
NAU | CAV | HAV1 | 113.5° | 109.5° |
NAU | CAV | HAV2 | 113.5° | 109.5° |
CAW | CAV | HAV1 | 113.5° | 109.5° |
CAW | CAV | HAV2 | 113.5° | 109.5° |
CAV | CAW | OAX | 110.1° | 109.5° |
CAV | CAW | HAW1 | 112.0° | 109.5° |
CAV | CAW | HAW2 | 112.0° | 109.5° |
HAV1 | CAV | HAV2 | 97.0° | 109.5° |
OAX | CAW | HAW1 | 112.0° | 109.4° |
OAX | CAW | HAW2 | 111.9° | 109.4° |
CAW | OAX | HAX | 110.1° | 106.9° |
HAW1 | CAW | HAW2 | 98.4° | 109.5° |
CAB | CAF | CAG | 117.6° | 120.1° |
CAF | CAB | CL | 120.9° | 119.8° |
CAF | CAB | CAC | 120.8° | 120.3° |
CAF | CAG | CAH | 122.1° | 119.8° |
CAF | CAG | HAG | 118.9° | 120.1° |
CL | CAB | CAC | 118.3° | 119.9° |
CAB | CAC | CAD | 120.7° | 120.1° |
CAB | CAC | HAC | 119.6° | 120.0° |
CAD | CAC | HAC | 119.7° | 119.9° |
CAC | CAD | CAH | 119.9° | 119.8° |
CAC | CAD | HAD | 120.1° | 120.1° |
CAH | CAD | HAD | 120.1° | 120.1° |
CAD | CAH | CAG | 118.8° | 119.8° |
CAD | CAH | CAI | 121.0° | 120.1° |
CAH | CAG | HAG | 118.9° | 120.1° |
CAG | CAH | CAI | 120.1° | 120.1° |
CAH | CAI | CAJ | 126.8° | 129.0° |
CAH | CAI | SAP | 120.8° | 129.1° |
CAJ | CAI | SAP | 112.4° | 101.9° |
CAI | CAJ | CAE | 126.9° | 120.8° |
CAI | CAJ | NAK | 112.7° | 118.3° |
CAI | SAP | CAQ | 87.3° | 98.2° |
CAE | CAJ | NAK | 120.3° | 120.8° |
CAJ | CAE | HAE1 | 126.9° | 109.5° |
CAJ | CAE | HAE2 | 106.1° | 109.4° |
CAJ | CAE | HAE3 | 106.1° | 109.5° |
CAJ | NAK | CAQ | 112.3° | 119.2° |
CAJ | NAK | HAK | 123.8° | 120.4° |
HAE1 | CAE | HAE2 | 106.1° | 109.5° |
HAE1 | CAE | HAE3 | 106.0° | 109.4° |
HAE2 | CAE | HAE3 | 103.4° | 109.5° |
CAQ | NAK | HAK | 123.9° | 120.4° |
NAK | CAQ | SAP | 115.3° | 102.4° |
NAK | CAQ | NAR | 122.0° | 128.8° |
SAP | CAQ | NAR | 122.7° | 128.8° |
CAQ | NAR | CAS | 126.8° | 120.0° |
NAR | CAS | OAL | 124.4° | 120.0° |
NAR | CAS | CAT | 115.2° | 120.0° |
OAL | CAS | CAT | 120.4° | 120.0° |
CAS | CAT | HAT1 | 115.2° | 109.5° |
CAS | CAT | HAT2 | 110.1° | 109.5° |
CAS | CAT | HAT3 | 110.1° | 109.5° |
HAT1 | CAT | HAT2 | 110.1° | 109.4° |
HAT1 | CAT | HAT3 | 110.1° | 109.5° |
HAT2 | CAT | HAT3 | 100.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAM | SAN | OAO | NAU | 119.1° | 123.1° |
OAM | SAN | OAO | CAF | 117.9° | 123.1° |
OAM | SAN | NAU | CAF | 121.4° | 112.6° |
OAM | SAN | NAU | CAV | 23.9° | 177.6° |
OAM | SAN | NAU | HAU | 156.1° | 2.4° |
OAM | SAN | CAF | CAB | 176.9° | 177.6° |
OAM | SAN | CAF | CAG | 4.0° | 2.6° |
OAO | SAN | NAU | CAF | 121.0° | 112.6° |
OAO | SAN | NAU | CAV | 141.5° | 47.6° |
OAO | SAN | NAU | HAU | 38.5° | 132.4° |
OAO | SAN | CAF | CAB | 65.7° | 47.6° |
OAO | SAN | CAF | CAG | 113.5° | 132.2° |
SAN | NAU | CAV | HAU | 180.0° | 180.0° |
SAN | NAU | CAV | CAW | 165.0° | 165.0° |
SAN | NAU | CAV | HAV1 | 39.7° | 75.0° |
SAN | NAU | CAV | HAV2 | 69.8° | 45.1° |
NAU | SAN | CAF | CAB | 54.5° | 65.0° |
NAU | SAN | CAF | CAG | 126.3° | 115.2° |
CAF | SAN | NAU | CAV | 97.5° | 65.0° |
CAF | SAN | NAU | HAU | 82.5° | 115.1° |
SAN | CAF | CAB | CAG | 179.2° | 179.8° |
SAN | CAF | CAB | CL | 0.7° | 0.0° |
SAN | CAF | CAB | CAC | 179.3° | 180.0° |
SAN | CAF | CAG | CAH | 179.2° | 179.7° |
SAN | CAF | CAG | HAG | 0.8° | 0.2° |
NAU | CAV | CAW | HAV1 | 125.3° | 120.0° |
NAU | CAV | CAW | HAV2 | 125.2° | 119.9° |
NAU | CAV | HAV1 | HAV2 | 119.4° | 120.0° |
NAU | CAV | CAW | OAX | 119.5° | 65.0° |
NAU | CAV | CAW | HAW1 | 115.3° | 175.0° |
NAU | CAV | CAW | HAW2 | 5.8° | 55.0° |
HAU | NAU | CAV | CAW | 15.0° | 15.0° |
HAU | NAU | CAV | HAV1 | 140.3° | 105.0° |
HAU | NAU | CAV | HAV2 | 110.3° | 134.9° |
CAW | CAV | HAV1 | HAV2 | 119.4° | 120.0° |
CAV | CAW | OAX | HAW1 | 125.3° | 120.0° |
CAV | CAW | OAX | HAW2 | 125.3° | 120.1° |
CAV | CAW | HAW1 | HAW2 | 117.9° | 120.1° |
CAV | CAW | OAX | HAX | 180.0° | 180.0° |
HAV1 | CAV | CAW | OAX | 5.8° | 55.0° |
HAV1 | CAV | CAW | HAW1 | 119.5° | 65.0° |
HAV1 | CAV | CAW | HAW2 | 131.0° | 175.0° |
HAV2 | CAV | CAW | OAX | 115.3° | 175.0° |
HAV2 | CAV | CAW | HAW1 | 10.0° | 55.1° |
HAV2 | CAV | CAW | HAW2 | 119.5° | 64.9° |
OAX | CAW | HAW1 | HAW2 | 117.9° | 119.9° |
HAW1 | CAW | OAX | HAX | 54.8° | 60.0° |
HAW2 | CAW | OAX | HAX | 54.7° | 60.0° |
CAF | CAB | CL | CAC | 179.9° | 180.0° |
CAF | CAB | CAC | CAD | 0.3° | 0.0° |
CAF | CAB | CAC | HAC | 179.7° | 180.0° |
CAB | CAF | CAG | CAH | 0.0° | 0.5° |
CAB | CAF | CAG | HAG | 180.0° | 179.9° |
CAG | CAF | CAB | CL | 179.9° | 179.7° |
CAG | CAF | CAB | CAC | 0.1° | 0.3° |
CAF | CAG | CAH | CAD | 0.0° | 0.5° |
CAF | CAG | CAH | HAG | 180.0° | 179.6° |
CAF | CAG | CAH | CAI | 180.0° | 179.8° |
CL | CAB | CAC | CAD | 179.8° | 180.0° |
CL | CAB | CAC | HAC | 0.2° | 0.0° |
CAB | CAC | CAD | HAC | 180.0° | 180.0° |
CAB | CAC | CAD | CAH | 0.3° | 0.0° |
CAB | CAC | CAD | HAD | 179.7° | 179.9° |
CAC | CAD | CAH | HAD | 180.0° | 179.9° |
CAC | CAD | CAH | CAG | 0.1° | 0.2° |
CAC | CAD | CAH | CAI | 179.9° | 180.0° |
HAC | CAC | CAD | CAH | 179.7° | 180.0° |
HAC | CAC | CAD | HAD | 0.3° | 0.0° |
CAD | CAH | CAG | CAI | 180.0° | 179.7° |
CAD | CAH | CAG | HAG | 180.0° | 180.0° |
CAD | CAH | CAI | CAJ | 0.4° | 40.0° |
CAD | CAH | CAI | SAP | 179.4° | 139.7° |
HAD | CAD | CAH | CAG | 179.9° | 179.8° |
HAD | CAD | CAH | CAI | 0.1° | 0.1° |
CAG | CAH | CAI | CAJ | 179.6° | 140.3° |
CAG | CAH | CAI | SAP | 0.7° | 40.0° |
HAG | CAG | CAH | CAI | 0.1° | 0.2° |
CAH | CAI | CAJ | SAP | 179.8° | 179.8° |
CAH | CAI | CAJ | CAE | 0.4° | 0.0° |
CAH | CAI | CAJ | NAK | 180.0° | 180.0° |
CAH | CAI | SAP | CAQ | 180.0° | 179.9° |
CAI | CAJ | CAE | NAK | 179.5° | 179.9° |
CAI | CAJ | CAE | HAE1 | 180.0° | 180.0° |
CAI | CAJ | CAE | HAE2 | 54.8° | 60.1° |
CAI | CAJ | CAE | HAE3 | 54.7° | 60.0° |
CAI | CAJ | NAK | CAQ | 0.0° | 0.0° |
CAI | CAJ | NAK | HAK | 180.0° | 180.0° |
CAJ | CAI | SAP | CAQ | 0.2° | 0.4° |
SAP | CAI | CAJ | CAE | 179.4° | 179.8° |
SAP | CAI | CAJ | NAK | 0.2° | 0.3° |
CAI | SAP | CAQ | NAK | 0.2° | 0.4° |
CAI | SAP | CAQ | NAR | 178.7° | 180.0° |
CAJ | CAE | HAE1 | HAE2 | 125.3° | 120.0° |
CAJ | CAE | HAE1 | HAE3 | 125.3° | 120.0° |
CAJ | CAE | HAE2 | HAE3 | 111.4° | 120.1° |
CAE | CAJ | NAK | CAQ | 179.6° | 179.9° |
CAE | CAJ | NAK | HAK | 0.4° | 0.1° |
NAK | CAJ | CAE | HAE1 | 0.5° | 0.1° |
NAK | CAJ | CAE | HAE2 | 124.8° | 120.0° |
NAK | CAJ | CAE | HAE3 | 125.7° | 119.9° |
CAJ | NAK | CAQ | HAK | 180.0° | 180.0° |
CAJ | NAK | CAQ | SAP | 0.1° | 0.3° |
CAJ | NAK | CAQ | NAR | 178.8° | 179.9° |
HAE1 | CAE | HAE2 | HAE3 | 111.4° | 120.0° |
NAK | CAQ | SAP | NAR | 178.9° | 179.7° |
NAK | CAQ | NAR | CAS | 144.8° | 180.0° |
HAK | NAK | CAQ | SAP | 179.9° | 179.7° |
HAK | NAK | CAQ | NAR | 1.2° | 0.0° |
SAP | CAQ | NAR | CAS | 36.3° | 0.4° |
CAQ | NAR | CAS | OAL | 1.2° | 0.1° |
CAQ | NAR | CAS | CAT | 179.5° | 180.0° |
NAR | CAS | OAL | CAT | 179.3° | 180.0° |
NAR | CAS | CAT | HAT1 | 180.0° | 180.0° |
NAR | CAS | CAT | HAT2 | 54.8° | 60.0° |
NAR | CAS | CAT | HAT3 | 54.8° | 60.0° |
OAL | CAS | CAT | HAT1 | 0.6° | 0.0° |
OAL | CAS | CAT | HAT2 | 124.6° | 120.0° |
OAL | CAS | CAT | HAT3 | 125.9° | 120.0° |
CAS | CAT | HAT1 | HAT2 | 125.2° | 120.0° |
CAS | CAT | HAT1 | HAT3 | 125.2° | 120.0° |
CAS | CAT | HAT2 | HAT3 | 115.9° | 120.0° |
HAT1 | CAT | HAT2 | HAT3 | 115.9° | 120.0° |