0G1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | CAW | doub | 1.32Å | 1.34Å | Aromatic |
CAV | CAU | sing | 1.40Å | 1.35Å | Aromatic |
CAW | SAS | sing | 1.76Å | 1.69Å | Aromatic |
NAR | CAU | sing | 1.39Å | 1.34Å | Aromatic |
NAR | NAQ | sing | 1.40Å | 1.24Å | Aromatic |
CAU | CAT | doub | 1.38Å | 1.40Å | Aromatic |
NAQ | CAP | doub | 1.31Å | 1.34Å | Aromatic |
CAT | SAS | sing | 1.76Å | 1.69Å | Aromatic |
CAT | CAP | sing | 1.42Å | 1.39Å | Aromatic |
CAP | CAF | sing | 1.48Å | 1.41Å | |
CAF | NAE | sing | 1.37Å | 1.34Å | Aromatic |
CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
NAE | CAI | sing | 1.38Å | 1.33Å | Aromatic |
CAY | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
CAY | CAX | sing | 1.40Å | 1.39Å | Aromatic |
CAZ | CBA | sing | 1.39Å | 1.39Å | Aromatic |
CAG | CAX | sing | 1.48Å | 1.39Å | |
CAG | CAH | sing | 1.47Å | 1.39Å | Aromatic |
CBE | OBD | sing | 1.43Å | 1.43Å | |
CAX | CBC | doub | 1.39Å | 1.40Å | Aromatic |
CAI | CAH | doub | 1.41Å | 1.39Å | Aromatic |
CAI | CAD | sing | 1.39Å | 1.40Å | Aromatic |
CAN | CAM | sing | 1.53Å | 1.53Å | |
CAH | CAA | sing | 1.40Å | 1.40Å | Aromatic |
CBA | OBD | sing | 1.36Å | 1.36Å | |
CBA | CBB | doub | 1.39Å | 1.40Å | Aromatic |
CAD | CAC | doub | 1.38Å | 1.40Å | Aromatic |
CBC | CBB | sing | 1.38Å | 1.39Å | Aromatic |
CAA | CAB | doub | 1.37Å | 1.40Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
CAC | CAJ | sing | 1.51Å | 1.55Å | |
CAM | CAJ | sing | 1.53Å | 1.53Å | |
OAL | CAJ | sing | 1.43Å | 1.43Å | |
CAJ | CAK | sing | 1.53Å | 1.53Å | |
CAK | CAO | sing | 1.53Å | 1.53Å | |
CBE | H1 | sing | 1.09Å | 1.10Å | |
CBE | H2 | sing | 1.09Å | 1.10Å | |
CBE | H3 | sing | 1.09Å | 1.10Å | |
CBB | H4 | sing | 1.08Å | 1.08Å | |
CBC | H5 | sing | 1.08Å | 1.08Å | |
CAZ | H6 | sing | 1.08Å | 1.08Å | |
CAY | H7 | sing | 1.08Å | 1.08Å | |
CAA | H8 | sing | 1.08Å | 1.08Å | |
CAB | H9 | sing | 1.08Å | 1.08Å | |
CAK | H10 | sing | 1.09Å | 1.10Å | |
CAK | H11 | sing | 1.09Å | 1.10Å | |
CAO | H12 | sing | 1.09Å | 1.10Å | |
CAO | H13 | sing | 1.09Å | 1.10Å | |
CAO | H14 | sing | 1.09Å | 1.10Å | |
CAM | H15 | sing | 1.09Å | 1.10Å | |
CAM | H16 | sing | 1.09Å | 1.10Å | |
CAN | H17 | sing | 1.09Å | 1.10Å | |
CAN | H18 | sing | 1.09Å | 1.10Å | |
CAN | H19 | sing | 1.09Å | 1.10Å | |
OAL | H20 | sing | 0.97Å | 0.95Å | |
CAD | H21 | sing | 1.08Å | 1.08Å | |
NAE | H22 | sing | 0.97Å | 1.00Å | |
CAW | H23 | sing | 1.08Å | 1.08Å | |
CAV | H24 | sing | 1.08Å | 1.08Å | |
NAR | H25 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAW | CAV | CAU | 116.9° | 115.6° |
CAV | CAW | SAS | 106.5° | 110.4° |
CAV | CAW | H23 | 126.8° | 124.8° |
CAW | CAV | H24 | 121.5° | 122.2° |
CAV | CAU | NAR | 140.3° | 140.3° |
CAV | CAU | CAT | 114.0° | 113.1° |
CAU | CAV | H24 | 121.6° | 122.2° |
CAW | SAS | CAT | 97.0° | 91.3° |
SAS | CAW | H23 | 126.7° | 124.8° |
CAU | NAR | NAQ | 111.6° | 108.2° |
NAR | CAU | CAT | 105.7° | 106.7° |
CAU | NAR | H25 | 124.2° | 125.9° |
NAR | NAQ | CAP | 111.6° | 109.1° |
NAQ | NAR | H25 | 124.2° | 125.9° |
CAU | CAT | SAS | 105.5° | 109.6° |
CAU | CAT | CAP | 105.3° | 107.8° |
NAQ | CAP | CAT | 105.8° | 108.3° |
NAQ | CAP | CAF | 123.9° | 125.9° |
SAS | CAT | CAP | 149.1° | 142.7° |
CAT | CAP | CAF | 130.1° | 125.8° |
CAP | CAF | NAE | 122.7° | 125.4° |
CAP | CAF | CAG | 130.5° | 125.4° |
NAE | CAF | CAG | 106.6° | 109.2° |
CAF | NAE | CAI | 111.3° | 110.2° |
CAF | NAE | H22 | 124.3° | 124.9° |
CAF | CAG | CAX | 129.4° | 126.8° |
CAF | CAG | CAH | 107.7° | 106.5° |
NAE | CAI | CAH | 108.2° | 107.8° |
NAE | CAI | CAD | 131.7° | 132.9° |
CAI | NAE | H22 | 124.4° | 124.9° |
CAZ | CAY | CAX | 120.0° | 119.9° |
CAY | CAZ | CBA | 120.2° | 120.1° |
CAY | CAZ | H6 | 119.9° | 120.0° |
CAZ | CAY | H7 | 120.0° | 120.0° |
CAY | CAX | CAG | 120.9° | 120.1° |
CAY | CAX | CBC | 119.7° | 119.8° |
CAX | CAY | H7 | 120.0° | 120.0° |
CAZ | CBA | OBD | 120.0° | 120.0° |
CAZ | CBA | CBB | 119.8° | 120.1° |
CBA | CAZ | H6 | 119.9° | 119.9° |
CAX | CAG | CAH | 122.2° | 126.7° |
CAG | CAX | CBC | 119.3° | 120.1° |
CAG | CAH | CAI | 106.1° | 106.4° |
CAG | CAH | CAA | 133.8° | 133.7° |
CBE | OBD | CBA | 110.1° | 117.0° |
OBD | CBE | H1 | 109.5° | 109.5° |
OBD | CBE | H2 | 109.4° | 109.5° |
OBD | CBE | H3 | 109.5° | 109.5° |
CAX | CBC | CBB | 120.3° | 119.9° |
CAX | CBC | H5 | 119.9° | 120.1° |
CAH | CAI | CAD | 120.1° | 119.3° |
CAI | CAH | CAA | 120.1° | 120.0° |
CAI | CAD | CAC | 120.3° | 119.8° |
CAI | CAD | H21 | 119.8° | 120.1° |
CAN | CAM | CAJ | 111.7° | 109.5° |
CAN | CAM | H15 | 108.9° | 109.5° |
CAN | CAM | H16 | 108.9° | 109.5° |
CAM | CAN | H17 | 109.5° | 109.5° |
CAM | CAN | H18 | 109.4° | 109.5° |
CAM | CAN | H19 | 109.4° | 109.5° |
CAH | CAA | CAB | 119.6° | 119.8° |
CAH | CAA | H8 | 120.2° | 120.1° |
OBD | CBA | CBB | 120.1° | 119.9° |
CBA | CBB | CBC | 119.9° | 120.1° |
CBA | CBB | H4 | 120.1° | 120.0° |
CAD | CAC | CAB | 119.3° | 120.7° |
CAD | CAC | CAJ | 120.4° | 119.7° |
CAC | CAD | H21 | 119.9° | 120.1° |
CBC | CBB | H4 | 120.1° | 119.9° |
CBB | CBC | H5 | 119.8° | 120.0° |
CAA | CAB | CAC | 120.5° | 120.5° |
CAB | CAA | H8 | 120.2° | 120.1° |
CAA | CAB | H9 | 119.7° | 119.7° |
CAB | CAC | CAJ | 120.3° | 119.6° |
CAC | CAB | H9 | 119.7° | 119.8° |
CAC | CAJ | CAM | 109.6° | 109.5° |
CAC | CAJ | OAL | 111.1° | 109.5° |
CAC | CAJ | CAK | 109.9° | 109.5° |
CAM | CAJ | OAL | 109.1° | 109.4° |
CAM | CAJ | CAK | 108.8° | 109.5° |
CAJ | CAM | H15 | 108.9° | 109.4° |
CAJ | CAM | H16 | 108.9° | 109.5° |
OAL | CAJ | CAK | 108.3° | 109.5° |
CAJ | OAL | H20 | 109.5° | 114.1° |
CAJ | CAK | CAO | 111.5° | 109.5° |
CAJ | CAK | H10 | 108.9° | 109.5° |
CAJ | CAK | H11 | 109.0° | 109.5° |
CAO | CAK | H10 | 109.0° | 109.5° |
CAO | CAK | H11 | 108.9° | 109.5° |
CAK | CAO | H12 | 109.5° | 109.5° |
CAK | CAO | H13 | 109.5° | 109.5° |
CAK | CAO | H14 | 109.5° | 109.4° |
H1 | CBE | H2 | 109.5° | 109.4° |
H1 | CBE | H3 | 109.5° | 109.5° |
H2 | CBE | H3 | 109.5° | 109.5° |
H10 | CAK | H11 | 109.5° | 109.5° |
H12 | CAO | H13 | 109.5° | 109.5° |
H12 | CAO | H14 | 109.5° | 109.5° |
H13 | CAO | H14 | 109.4° | 109.5° |
H15 | CAM | H16 | 109.5° | 109.4° |
H17 | CAN | H18 | 109.5° | 109.4° |
H17 | CAN | H19 | 109.5° | 109.5° |
H18 | CAN | H19 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAW | CAV | CAU | H24 | 180.0° | 179.9° |
CAV | CAW | SAS | H23 | 180.0° | 180.0° |
CAW | CAV | CAU | NAR | 179.8° | 180.0° |
CAW | CAV | CAU | CAT | 1.4° | 0.0° |
CAV | CAW | SAS | CAT | 0.4° | 0.0° |
CAU | CAV | CAW | SAS | 0.5° | 0.0° |
CAV | CAU | NAR | CAT | 178.8° | 180.0° |
CAV | CAU | NAR | NAQ | 178.6° | 179.8° |
CAV | CAU | CAT | SAS | 1.6° | 0.0° |
CAV | CAU | CAT | CAP | 179.4° | 180.0° |
CAU | CAV | CAW | H23 | 179.5° | 180.0° |
CAV | CAU | NAR | H25 | 1.4° | 0.0° |
CAW | SAS | CAT | CAU | 1.1° | 0.0° |
CAW | SAS | CAT | CAP | 177.1° | 179.9° |
SAS | CAW | CAV | H24 | 179.5° | 180.0° |
CAU | NAR | NAQ | H25 | 180.0° | 179.8° |
CAU | NAR | NAQ | CAP | 1.9° | 0.4° |
NAR | CAU | CAT | SAS | 179.2° | 180.0° |
NAR | CAU | CAT | CAP | 1.4° | 0.0° |
NAR | CAU | CAV | H24 | 0.2° | 0.0° |
NAQ | NAR | CAU | CAT | 0.2° | 0.2° |
NAR | NAQ | CAP | CAT | 2.7° | 0.4° |
NAR | NAQ | CAP | CAF | 178.6° | 179.9° |
CAU | CAT | CAP | NAQ | 2.4° | 0.3° |
CAU | CAT | SAS | CAP | 175.9° | 179.9° |
CAU | CAT | CAP | CAF | 177.9° | 180.0° |
CAT | CAU | CAV | H24 | 178.6° | 179.9° |
CAT | CAU | NAR | H25 | 179.8° | 180.0° |
NAQ | CAP | CAT | SAS | 178.3° | 179.8° |
NAQ | CAP | CAT | CAF | 175.5° | 179.7° |
NAQ | CAP | CAF | NAE | 7.1° | 179.7° |
NAQ | CAP | CAF | CAG | 179.2° | 0.8° |
CAP | NAQ | NAR | H25 | 178.1° | 179.8° |
SAS | CAT | CAP | CAF | 6.1° | 0.1° |
CAT | SAS | CAW | H23 | 179.6° | 180.0° |
CAT | CAP | CAF | NAE | 167.7° | 0.0° |
CAT | CAP | CAF | CAG | 6.0° | 179.5° |
CAP | CAF | NAE | CAG | 175.0° | 179.6° |
CAP | CAF | NAE | CAI | 177.6° | 180.0° |
CAP | CAF | CAG | CAX | 11.4° | 0.3° |
CAP | CAF | CAG | CAH | 178.2° | 180.0° |
CAP | CAF | NAE | H22 | 2.4° | 0.2° |
CAF | NAE | CAI | H22 | 180.0° | 179.8° |
NAE | CAF | CAG | CAX | 174.1° | 179.9° |
NAE | CAF | CAG | CAH | 3.7° | 0.4° |
CAF | NAE | CAI | CAH | 0.4° | 0.3° |
CAF | NAE | CAI | CAD | 177.8° | 179.7° |
CAG | CAF | NAE | CAI | 2.6° | 0.4° |
CAF | CAG | CAX | CAY | 113.3° | 65.4° |
CAF | CAG | CAX | CAH | 169.2° | 179.6° |
CAF | CAG | CAX | CBC | 71.3° | 114.4° |
CAF | CAG | CAH | CAI | 3.4° | 0.3° |
CAF | CAG | CAH | CAA | 177.7° | 179.8° |
CAG | CAF | NAE | H22 | 177.4° | 179.8° |
NAE | CAI | CAH | CAG | 1.9° | 0.0° |
NAE | CAI | CAH | CAD | 178.5° | 180.0° |
NAE | CAI | CAH | CAA | 179.0° | 180.0° |
NAE | CAI | CAD | CAC | 179.3° | 180.0° |
NAE | CAI | CAD | H21 | 0.8° | 0.0° |
CAZ | CAY | CAX | H7 | 180.0° | 179.9° |
CAY | CAZ | CBA | H6 | 180.0° | 179.9° |
CAZ | CAY | CAX | CAG | 178.8° | 180.0° |
CAZ | CAY | CAX | CBC | 3.4° | 0.3° |
CAY | CAZ | CBA | OBD | 179.5° | 180.0° |
CAY | CAZ | CBA | CBB | 0.2° | 0.3° |
CAX | CAY | CAZ | CBA | 1.6° | 0.0° |
CAY | CAX | CAG | CBC | 175.4° | 179.8° |
CAY | CAX | CAG | CAH | 77.4° | 115.0° |
CAY | CAX | CBC | CBB | 3.9° | 0.2° |
CAY | CAX | CBC | H5 | 176.1° | 179.7° |
CAX | CAY | CAZ | H6 | 178.4° | 180.0° |
CAZ | CBA | OBD | CBE | 97.1° | 0.2° |
CAZ | CBA | OBD | CBB | 179.7° | 179.7° |
CAZ | CBA | CBB | CBC | 0.7° | 0.3° |
CAZ | CBA | CBB | H4 | 179.3° | 179.7° |
CBA | CAZ | CAY | H7 | 178.4° | 180.0° |
CAX | CAG | CAH | CAI | 174.7° | 180.0° |
CAX | CAG | CAH | CAA | 6.4° | 0.1° |
CAG | CAX | CBC | CBB | 179.3° | 180.0° |
CAG | CAX | CBC | H5 | 0.7° | 0.0° |
CAG | CAX | CAY | H7 | 1.2° | 0.0° |
CAH | CAG | CAX | CBC | 97.9° | 65.2° |
CAG | CAH | CAI | CAA | 179.1° | 179.9° |
CAG | CAH | CAI | CAD | 179.6° | 180.0° |
CAG | CAH | CAA | CAB | 178.3° | 180.0° |
CAG | CAH | CAA | H8 | 1.7° | 0.0° |
CBE | OBD | CBA | CBB | 83.2° | 180.0° |
OBD | CBE | H1 | H2 | 120.0° | 120.0° |
OBD | CBE | H1 | H3 | 120.0° | 120.0° |
OBD | CBE | H2 | H3 | 120.0° | 120.0° |
CAX | CBC | CBB | CBA | 2.5° | 0.1° |
CAX | CBC | CBB | H5 | 180.0° | 180.0° |
CAX | CBC | CBB | H4 | 177.5° | 180.0° |
CBC | CAX | CAY | H7 | 176.6° | 179.8° |
CAH | CAI | CAD | CAC | 1.2° | 0.0° |
CAI | CAH | CAA | CAB | 0.5° | 0.1° |
CAI | CAH | CAA | H8 | 179.5° | 180.0° |
CAH | CAI | CAD | H21 | 178.9° | 180.0° |
CAH | CAI | NAE | H22 | 179.6° | 180.0° |
CAD | CAI | CAH | CAA | 0.5° | 0.0° |
CAI | CAD | CAC | H21 | 180.0° | 180.0° |
CAI | CAD | CAC | CAB | 0.8° | 0.1° |
CAI | CAD | CAC | CAJ | 179.3° | 180.0° |
CAD | CAI | NAE | H22 | 2.2° | 0.0° |
CAN | CAM | CAJ | CAC | 71.3° | 175.0° |
CAN | CAM | CAJ | H15 | 120.3° | 120.0° |
CAN | CAM | CAJ | H16 | 120.4° | 120.1° |
CAN | CAM | CAJ | OAL | 50.5° | 65.0° |
CAN | CAM | CAJ | CAK | 168.4° | 55.0° |
CAN | CAM | H15 | H16 | 119.0° | 120.0° |
CAM | CAN | H17 | H18 | 120.0° | 120.0° |
CAM | CAN | H17 | H19 | 120.0° | 120.0° |
CAM | CAN | H18 | H19 | 120.0° | 120.0° |
CAH | CAA | CAB | H8 | 180.0° | 179.9° |
CAH | CAA | CAB | CAC | 0.9° | 0.1° |
CAH | CAA | CAB | H9 | 179.1° | 180.0° |
OBD | CBA | CBB | CBC | 179.0° | 179.9° |
CBA | OBD | CBE | H1 | 180.0° | 60.0° |
CBA | OBD | CBE | H2 | 60.0° | 179.9° |
CBA | OBD | CBE | H3 | 60.0° | 60.0° |
OBD | CBA | CBB | H4 | 1.0° | 0.0° |
OBD | CBA | CAZ | H6 | 0.5° | 0.1° |
CBA | CBB | CBC | H4 | 180.0° | 180.0° |
CBA | CBB | CBC | H5 | 177.5° | 180.0° |
CBB | CBA | CAZ | H6 | 179.8° | 179.7° |
CAD | CAC | CAB | CAA | 0.2° | 0.1° |
CAD | CAC | CAB | CAJ | 179.9° | 180.0° |
CAD | CAC | CAJ | CAM | 107.8° | 90.0° |
CAD | CAC | CAJ | OAL | 12.8° | 30.0° |
CAD | CAC | CAJ | CAK | 132.6° | 150.0° |
CAD | CAC | CAB | H9 | 179.8° | 180.0° |
CAA | CAB | CAC | H9 | 180.0° | 179.9° |
CAA | CAB | CAC | CAJ | 179.7° | 179.9° |
CAB | CAC | CAJ | CAM | 72.2° | 90.0° |
CAB | CAC | CAJ | OAL | 167.1° | 150.1° |
CAB | CAC | CAJ | CAK | 47.3° | 30.0° |
CAC | CAB | CAA | H8 | 179.2° | 179.9° |
CAB | CAC | CAD | H21 | 179.2° | 179.9° |
CAC | CAJ | CAM | OAL | 121.9° | 120.0° |
CAC | CAJ | CAM | CAK | 120.2° | 120.0° |
CAC | CAJ | OAL | CAK | 120.8° | 120.0° |
CAC | CAJ | CAK | CAO | 61.8° | 55.0° |
CAJ | CAC | CAB | H9 | 0.3° | 0.0° |
CAC | CAJ | CAK | H10 | 58.5° | 65.0° |
CAC | CAJ | CAK | H11 | 177.9° | 175.0° |
CAC | CAJ | CAM | H15 | 49.0° | 55.0° |
CAC | CAJ | CAM | H16 | 168.3° | 64.9° |
CAC | CAJ | OAL | H20 | 180.0° | 60.0° |
CAJ | CAC | CAD | H21 | 0.7° | 0.0° |
CAM | CAJ | OAL | CAK | 118.3° | 120.0° |
CAM | CAJ | CAK | CAO | 178.2° | 175.0° |
CAM | CAJ | CAK | H10 | 61.5° | 55.0° |
CAM | CAJ | CAK | H11 | 57.9° | 65.0° |
CAJ | CAM | H15 | H16 | 119.0° | 120.0° |
CAJ | CAM | CAN | H17 | 180.0° | 60.0° |
CAJ | CAM | CAN | H18 | 60.0° | 60.0° |
CAJ | CAM | CAN | H19 | 60.0° | 180.0° |
CAM | CAJ | OAL | H20 | 59.0° | 60.0° |
OAL | CAJ | CAK | CAO | 59.7° | 65.0° |
OAL | CAJ | CAK | H10 | 180.0° | 175.0° |
OAL | CAJ | CAK | H11 | 60.6° | 55.0° |
OAL | CAJ | CAM | H15 | 170.8° | 175.0° |
OAL | CAJ | CAM | H16 | 69.8° | 55.1° |
CAJ | CAK | CAO | H10 | 120.3° | 120.0° |
CAJ | CAK | CAO | H11 | 120.3° | 120.0° |
CAJ | CAK | H10 | H11 | 119.1° | 120.0° |
CAJ | CAK | CAO | H12 | 180.0° | 60.0° |
CAJ | CAK | CAO | H13 | 60.0° | 180.0° |
CAJ | CAK | CAO | H14 | 60.0° | 60.0° |
CAK | CAJ | CAM | H15 | 71.2° | 65.0° |
CAK | CAJ | CAM | H16 | 48.1° | 175.1° |
CAK | CAJ | OAL | H20 | 59.2° | 180.0° |
CAO | CAK | H10 | H11 | 119.0° | 120.0° |
CAK | CAO | H12 | H13 | 120.0° | 120.0° |
CAK | CAO | H12 | H14 | 120.0° | 120.0° |
CAK | CAO | H13 | H14 | 120.0° | 119.9° |
H1 | CBE | H2 | H3 | 120.0° | 120.0° |
H4 | CBB | CBC | H5 | 2.5° | 0.0° |
H6 | CAZ | CAY | H7 | 1.6° | 0.1° |
H8 | CAA | CAB | H9 | 0.9° | 0.1° |
H10 | CAK | CAO | H12 | 59.7° | 60.0° |
H10 | CAK | CAO | H13 | 179.7° | 60.0° |
H10 | CAK | CAO | H14 | 60.3° | 180.0° |
H11 | CAK | CAO | H12 | 59.7° | 180.0° |
H11 | CAK | CAO | H13 | 60.3° | 60.0° |
H11 | CAK | CAO | H14 | 179.7° | 60.0° |
H12 | CAO | H13 | H14 | 120.0° | 120.1° |
H15 | CAM | CAN | H17 | 59.6° | 180.0° |
H15 | CAM | CAN | H18 | 60.3° | 60.0° |
H15 | CAM | CAN | H19 | 179.6° | 60.0° |
H16 | CAM | CAN | H17 | 59.7° | 60.1° |
H16 | CAM | CAN | H18 | 179.6° | 179.9° |
H16 | CAM | CAN | H19 | 60.3° | 60.0° |
H17 | CAN | H18 | H19 | 120.0° | 119.9° |
H23 | CAW | CAV | H24 | 0.5° | 0.0° |