EB0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAZ | CAW | sing | 1.35Å | 1.33Å | |
CAX | CAW | doub | 1.39Å | 1.39Å | Aromatic |
CAX | CAY | sing | 1.38Å | 1.39Å | Aromatic |
CAW | CAV | sing | 1.38Å | 1.38Å | Aromatic |
CAY | CAT | doub | 1.39Å | 1.39Å | Aromatic |
CAV | CAU | doub | 1.38Å | 1.40Å | Aromatic |
CAT | NAS | sing | 1.40Å | 1.36Å | |
CAT | CAU | sing | 1.39Å | 1.40Å | Aromatic |
NAS | SAP | sing | 1.66Å | 1.60Å | |
CAH | CAG | doub | 1.37Å | 1.41Å | Aromatic |
CAH | CAI | sing | 1.39Å | 1.41Å | Aromatic |
CAG | CAD | sing | 1.41Å | 1.42Å | Aromatic |
SAP | OAR | doub | 1.42Å | 1.52Å | |
SAP | OAQ | doub | 1.42Å | 1.53Å | |
SAP | CAC | sing | 1.76Å | 1.79Å | |
CAI | CAJ | doub | 1.38Å | 1.35Å | Aromatic |
CAD | CAC | doub | 1.40Å | 1.42Å | Aromatic |
CAD | CAE | sing | 1.40Å | 1.35Å | Aromatic |
CAC | CAB | sing | 1.37Å | 1.40Å | Aromatic |
CAJ | CAE | sing | 1.40Å | 1.35Å | Aromatic |
CAJ | CAL | sing | 1.47Å | 1.35Å | |
CAE | CAF | doub | 1.39Å | 1.34Å | Aromatic |
CAB | CAA | doub | 1.39Å | 1.40Å | Aromatic |
CAL | OAM | doub | 1.22Å | 1.24Å | |
CAL | NAK | sing | 1.36Å | 1.35Å | |
CAF | CAA | sing | 1.38Å | 1.36Å | Aromatic |
CAF | NAK | sing | 1.39Å | 1.34Å | |
NAK | CAN | sing | 1.47Å | 1.49Å | |
CAO | CAN | sing | 1.53Å | 1.50Å | |
CAO | H1 | sing | 1.09Å | 1.10Å | |
CAO | H2 | sing | 1.09Å | 1.10Å | |
CAO | H3 | sing | 1.09Å | 1.10Å | |
CAN | H4 | sing | 1.09Å | 1.10Å | |
CAN | H5 | sing | 1.09Å | 1.10Å | |
CAI | H6 | sing | 1.08Å | 1.08Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAG | H8 | sing | 1.08Å | 1.08Å | |
CAA | H9 | sing | 1.08Å | 1.08Å | |
CAB | H10 | sing | 1.08Å | 1.08Å | |
NAS | H11 | sing | 0.97Å | 1.00Å | |
CAU | H12 | sing | 1.08Å | 1.08Å | |
CAV | H13 | sing | 1.08Å | 1.08Å | |
CAX | H14 | sing | 1.08Å | 1.08Å | |
CAY | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAZ | CAW | CAX | 119.0° | 119.9° |
FAZ | CAW | CAV | 121.9° | 120.0° |
CAW | CAX | CAY | 120.1° | 120.1° |
CAX | CAW | CAV | 119.1° | 120.1° |
CAW | CAX | H14 | 120.0° | 119.9° |
CAX | CAY | CAT | 122.0° | 119.9° |
CAY | CAX | H14 | 120.0° | 120.0° |
CAX | CAY | H15 | 119.0° | 120.0° |
CAW | CAV | CAU | 120.4° | 120.1° |
CAW | CAV | H13 | 119.8° | 120.0° |
CAY | CAT | NAS | 116.4° | 120.0° |
CAY | CAT | CAU | 117.3° | 119.9° |
CAT | CAY | H15 | 119.0° | 120.0° |
CAV | CAU | CAT | 121.1° | 119.9° |
CAV | CAU | H12 | 119.4° | 120.0° |
CAU | CAV | H13 | 119.8° | 119.9° |
NAS | CAT | CAU | 126.2° | 120.0° |
CAT | NAS | SAP | 124.5° | 120.0° |
CAT | NAS | H11 | 105.6° | 120.0° |
CAT | CAU | H12 | 119.4° | 120.1° |
NAS | SAP | OAR | 108.7° | 106.4° |
NAS | SAP | OAQ | 112.2° | 106.4° |
NAS | SAP | CAC | 108.3° | 107.2° |
SAP | NAS | H11 | 105.6° | 120.0° |
CAG | CAH | CAI | 118.7° | 123.1° |
CAH | CAG | CAD | 119.5° | 118.9° |
CAG | CAH | H7 | 120.6° | 118.4° |
CAH | CAG | H8 | 120.2° | 120.5° |
CAH | CAI | CAJ | 120.4° | 119.7° |
CAH | CAI | H6 | 119.8° | 120.1° |
CAI | CAH | H7 | 120.6° | 118.5° |
CAG | CAD | CAC | 125.8° | 125.8° |
CAG | CAD | CAE | 117.1° | 117.2° |
CAD | CAG | H8 | 120.3° | 120.6° |
OAR | SAP | OAQ | 112.1° | 123.2° |
OAR | SAP | CAC | 109.1° | 106.4° |
OAQ | SAP | CAC | 106.4° | 106.4° |
SAP | CAC | CAD | 123.4° | 120.7° |
SAP | CAC | CAB | 117.7° | 120.7° |
CAI | CAJ | CAE | 119.7° | 116.7° |
CAI | CAJ | CAL | 135.3° | 139.1° |
CAJ | CAI | H6 | 119.8° | 120.2° |
CAC | CAD | CAE | 117.1° | 117.0° |
CAD | CAC | CAB | 118.9° | 118.5° |
CAD | CAE | CAJ | 124.7° | 124.3° |
CAD | CAE | CAF | 124.6° | 125.1° |
CAC | CAB | CAA | 120.1° | 123.2° |
CAC | CAB | H10 | 119.9° | 118.3° |
CAE | CAJ | CAL | 105.0° | 104.2° |
CAJ | CAE | CAF | 110.7° | 110.6° |
CAJ | CAL | OAM | 126.5° | 126.0° |
CAJ | CAL | NAK | 109.5° | 108.0° |
CAE | CAF | CAA | 120.0° | 116.1° |
CAE | CAF | NAK | 106.9° | 106.9° |
CAB | CAA | CAF | 119.2° | 120.0° |
CAB | CAA | H9 | 120.4° | 120.0° |
CAA | CAB | H10 | 120.0° | 118.4° |
OAM | CAL | NAK | 123.9° | 126.0° |
CAL | NAK | CAF | 107.9° | 110.4° |
CAL | NAK | CAN | 126.7° | 124.8° |
CAA | CAF | NAK | 133.1° | 137.1° |
CAF | CAA | H9 | 120.4° | 120.0° |
CAF | NAK | CAN | 125.3° | 124.8° |
NAK | CAN | CAO | 105.5° | 109.5° |
NAK | CAN | H4 | 110.5° | 109.4° |
NAK | CAN | H5 | 110.5° | 109.5° |
CAN | CAO | H1 | 109.5° | 109.5° |
CAN | CAO | H2 | 109.5° | 109.5° |
CAN | CAO | H3 | 109.5° | 109.4° |
CAO | CAN | H4 | 110.5° | 109.5° |
CAO | CAN | H5 | 110.5° | 109.5° |
H1 | CAO | H2 | 109.4° | 109.5° |
H1 | CAO | H3 | 109.4° | 109.4° |
H2 | CAO | H3 | 109.5° | 109.4° |
H4 | CAN | H5 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAZ | CAW | CAX | CAV | 179.5° | 180.0° |
FAZ | CAW | CAX | CAY | 179.8° | 179.8° |
FAZ | CAW | CAV | CAU | 179.1° | 179.9° |
FAZ | CAW | CAV | H13 | 0.9° | 0.0° |
FAZ | CAW | CAX | H14 | 0.2° | 0.0° |
CAW | CAX | CAY | H14 | 180.0° | 179.8° |
CAW | CAX | CAY | CAT | 1.7° | 0.5° |
CAX | CAW | CAV | CAU | 0.5° | 0.1° |
CAX | CAW | CAV | H13 | 179.5° | 180.0° |
CAW | CAX | CAY | H15 | 178.3° | 180.0° |
CAY | CAX | CAW | CAV | 0.3° | 0.2° |
CAX | CAY | CAT | H15 | 180.0° | 179.5° |
CAX | CAY | CAT | NAS | 178.5° | 179.7° |
CAX | CAY | CAT | CAU | 2.4° | 0.6° |
CAW | CAV | CAU | H13 | 180.0° | 179.9° |
CAW | CAV | CAU | CAT | 0.2° | 0.0° |
CAW | CAV | CAU | H12 | 179.8° | 180.0° |
CAV | CAW | CAX | H14 | 179.8° | 180.0° |
CAY | CAT | CAU | CAV | 1.6° | 0.3° |
CAY | CAT | NAS | CAU | 175.8° | 179.7° |
CAY | CAT | NAS | SAP | 152.7° | 46.0° |
CAY | CAT | NAS | H11 | 85.3° | 133.9° |
CAY | CAT | CAU | H12 | 178.4° | 179.7° |
CAT | CAY | CAX | H14 | 178.3° | 179.7° |
CAV | CAU | CAT | NAS | 177.4° | 180.0° |
CAV | CAU | CAT | H12 | 180.0° | 180.0° |
CAT | NAS | SAP | H11 | 122.0° | 179.9° |
CAT | NAS | SAP | OAR | 166.6° | 52.0° |
CAT | NAS | SAP | OAQ | 68.9° | 175.1° |
CAT | NAS | SAP | CAC | 48.2° | 61.5° |
NAS | CAT | CAU | H12 | 2.7° | 0.0° |
NAS | CAT | CAY | H15 | 1.4° | 0.2° |
CAU | CAT | NAS | SAP | 31.5° | 134.3° |
CAU | CAT | NAS | H11 | 90.5° | 45.8° |
CAT | CAU | CAV | H13 | 179.8° | 180.0° |
CAU | CAT | CAY | H15 | 177.6° | 180.0° |
NAS | SAP | OAR | OAQ | 124.6° | 123.0° |
NAS | SAP | OAR | CAC | 117.9° | 114.1° |
NAS | SAP | OAQ | CAC | 118.2° | 114.1° |
NAS | SAP | CAC | CAD | 53.5° | 64.9° |
NAS | SAP | CAC | CAB | 125.7° | 115.2° |
CAG | CAH | CAI | H7 | 180.0° | 180.0° |
CAH | CAG | CAD | H8 | 180.0° | 179.9° |
CAG | CAH | CAI | CAJ | 0.1° | 0.0° |
CAH | CAG | CAD | CAC | 179.4° | 180.0° |
CAH | CAG | CAD | CAE | 1.2° | 0.1° |
CAG | CAH | CAI | H6 | 179.9° | 180.0° |
CAI | CAH | CAG | CAD | 0.4° | 0.0° |
CAH | CAI | CAJ | H6 | 180.0° | 180.0° |
CAH | CAI | CAJ | CAE | 0.1° | 0.0° |
CAH | CAI | CAJ | CAL | 179.4° | 179.7° |
CAI | CAH | CAG | H8 | 179.6° | 179.9° |
CAG | CAD | CAC | SAP | 0.7° | 0.1° |
CAG | CAD | CAC | CAE | 178.2° | 179.9° |
CAG | CAD | CAC | CAB | 180.0° | 179.9° |
CAG | CAD | CAE | CAJ | 1.5° | 0.1° |
CAG | CAD | CAE | CAF | 179.1° | 180.0° |
CAD | CAG | CAH | H7 | 179.6° | 179.9° |
OAR | SAP | OAQ | CAC | 119.2° | 122.9° |
OAR | SAP | CAC | CAD | 64.6° | 178.4° |
OAR | SAP | CAC | CAB | 116.1° | 1.6° |
OAR | SAP | NAS | H11 | 71.3° | 127.9° |
OAQ | SAP | CAC | CAD | 174.3° | 48.7° |
OAQ | SAP | CAC | CAB | 5.0° | 131.3° |
OAQ | SAP | NAS | H11 | 53.1° | 5.0° |
SAP | CAC | CAD | CAB | 179.2° | 180.0° |
SAP | CAC | CAD | CAE | 177.5° | 180.0° |
SAP | CAC | CAB | CAA | 177.1° | 179.9° |
SAP | CAC | CAB | H10 | 2.9° | 0.1° |
CAC | SAP | NAS | H11 | 170.3° | 118.6° |
CAI | CAJ | CAE | CAD | 0.9° | 0.1° |
CAI | CAJ | CAE | CAL | 179.6° | 179.8° |
CAI | CAJ | CAE | CAF | 178.9° | 180.0° |
CAI | CAJ | CAL | OAM | 5.2° | 0.4° |
CAI | CAJ | CAL | NAK | 178.9° | 179.7° |
CAJ | CAI | CAH | H7 | 179.9° | 180.0° |
CAC | CAD | CAE | CAJ | 179.8° | 180.0° |
CAC | CAD | CAE | CAF | 2.5° | 0.0° |
CAD | CAC | CAB | CAA | 2.2° | 0.1° |
CAC | CAD | CAG | H8 | 0.6° | 0.1° |
CAD | CAC | CAB | H10 | 177.8° | 180.0° |
CAE | CAD | CAC | CAB | 1.7° | 0.0° |
CAD | CAE | CAJ | CAF | 178.0° | 179.9° |
CAD | CAE | CAJ | CAL | 178.7° | 179.7° |
CAD | CAE | CAF | CAA | 3.6° | 0.0° |
CAD | CAE | CAF | NAK | 178.5° | 179.6° |
CAE | CAD | CAG | H8 | 178.9° | 180.0° |
CAC | CAB | CAA | H10 | 180.0° | 179.8° |
CAC | CAB | CAA | CAF | 3.3° | 0.2° |
CAC | CAB | CAA | H9 | 176.7° | 180.0° |
CAE | CAJ | CAL | OAM | 175.2° | 179.9° |
CAE | CAJ | CAL | NAK | 0.6° | 0.0° |
CAJ | CAE | CAF | CAA | 178.4° | 179.9° |
CAJ | CAE | CAF | NAK | 0.6° | 0.4° |
CAE | CAJ | CAI | H6 | 179.9° | 180.0° |
CAL | CAJ | CAE | CAF | 0.7° | 0.2° |
CAJ | CAL | OAM | NAK | 175.3° | 179.9° |
CAJ | CAL | NAK | CAF | 0.3° | 0.2° |
CAJ | CAL | NAK | CAN | 177.2° | 180.0° |
CAL | CAJ | CAI | H6 | 0.6° | 0.3° |
CAE | CAF | CAA | CAB | 3.9° | 0.1° |
CAE | CAF | NAK | CAL | 0.2° | 0.4° |
CAE | CAF | CAA | NAK | 177.2° | 179.4° |
CAE | CAF | NAK | CAN | 177.7° | 179.9° |
CAE | CAF | CAA | H9 | 176.1° | 179.9° |
CAB | CAA | CAF | H9 | 180.0° | 179.9° |
CAB | CAA | CAF | NAK | 178.9° | 179.5° |
OAM | CAL | NAK | CAF | 175.7° | 179.7° |
OAM | CAL | NAK | CAN | 6.8° | 0.1° |
CAL | NAK | CAF | CAA | 177.6° | 179.8° |
CAL | NAK | CAF | CAN | 177.6° | 179.8° |
CAL | NAK | CAN | CAO | 91.3° | 90.0° |
CAL | NAK | CAN | H4 | 149.3° | 30.1° |
CAL | NAK | CAN | H5 | 28.1° | 150.0° |
CAA | CAF | NAK | CAN | 4.8° | 0.4° |
CAF | CAA | CAB | H10 | 176.8° | 180.0° |
CAF | NAK | CAN | CAO | 91.6° | 90.2° |
CAF | NAK | CAN | H4 | 27.8° | 149.7° |
CAF | NAK | CAN | H5 | 149.0° | 29.8° |
NAK | CAF | CAA | H9 | 1.1° | 0.6° |
NAK | CAN | CAO | H4 | 119.4° | 120.0° |
NAK | CAN | CAO | H5 | 119.4° | 120.0° |
NAK | CAN | CAO | H1 | 180.0° | 60.1° |
NAK | CAN | CAO | H2 | 60.0° | 60.0° |
NAK | CAN | CAO | H3 | 60.0° | 180.0° |
NAK | CAN | H4 | H5 | 121.8° | 119.9° |
CAN | CAO | H1 | H2 | 120.0° | 120.1° |
CAN | CAO | H1 | H3 | 120.0° | 119.9° |
CAN | CAO | H2 | H3 | 120.0° | 120.0° |
CAO | CAN | H4 | H5 | 121.8° | 120.0° |
H1 | CAO | H2 | H3 | 120.0° | 120.0° |
H1 | CAO | CAN | H4 | 60.6° | 60.0° |
H1 | CAO | CAN | H5 | 60.6° | 179.9° |
H2 | CAO | CAN | H4 | 179.4° | 179.9° |
H2 | CAO | CAN | H5 | 59.4° | 60.0° |
H3 | CAO | CAN | H4 | 59.4° | 60.0° |
H3 | CAO | CAN | H5 | 179.4° | 60.0° |
H6 | CAI | CAH | H7 | 0.1° | 0.0° |
H7 | CAH | CAG | H8 | 0.4° | 0.0° |
H9 | CAA | CAB | H10 | 3.2° | 0.1° |
H12 | CAU | CAV | H13 | 0.2° | 0.0° |
H14 | CAX | CAY | H15 | 1.7° | 0.2° |