GV8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAX | CAY | doub | 1.32Å | 1.39Å | Aromatic |
NAX | CAW | sing | 1.32Å | 1.40Å | Aromatic |
CAY | CAZ | sing | 1.38Å | 1.38Å | Aromatic |
CAW | CAM | doub | 1.39Å | 1.39Å | Aromatic |
CAZ | CBA | doub | 1.39Å | 1.39Å | Aromatic |
CAM | CBA | sing | 1.39Å | 1.38Å | Aromatic |
CAM | NAL | sing | 1.40Å | 1.32Å | |
CBA | SBB | sing | 1.76Å | 1.76Å | |
NAL | CAI | sing | 1.39Å | 1.35Å | |
OBC | SBB | doub | 1.42Å | 1.51Å | |
CAJ | CAI | doub | 1.38Å | 1.41Å | Aromatic |
CAJ | CAE | sing | 1.40Å | 1.40Å | Aromatic |
SBB | OBD | doub | 1.42Å | 1.53Å | |
SBB | CBE | sing | 1.81Å | 1.77Å | |
CAI | CAH | sing | 1.40Å | 1.39Å | Aromatic |
NAF | CAE | doub | 1.34Å | 1.34Å | Aromatic |
NAF | CAA | sing | 1.31Å | 1.39Å | Aromatic |
CAE | CAD | sing | 1.42Å | 1.38Å | Aromatic |
CAH | CAG | doub | 1.38Å | 1.38Å | Aromatic |
CAA | CAB | doub | 1.40Å | 1.39Å | Aromatic |
CAD | CAG | sing | 1.42Å | 1.40Å | Aromatic |
CAD | NAC | doub | 1.33Å | 1.36Å | Aromatic |
CAG | CAK | sing | 1.48Å | 1.41Å | |
CAN | CAK | doub | 1.40Å | 1.38Å | Aromatic |
CAN | CAO | sing | 1.38Å | 1.38Å | Aromatic |
CAB | NAC | sing | 1.31Å | 1.39Å | Aromatic |
CAK | CAR | sing | 1.39Å | 1.41Å | Aromatic |
CAO | CAP | doub | 1.39Å | 1.32Å | Aromatic |
CAR | CAQ | doub | 1.39Å | 1.34Å | Aromatic |
CAP | CAQ | sing | 1.41Å | 1.34Å | Aromatic |
CAP | OAS | sing | 1.35Å | 1.45Å | Aromatic |
CAQ | CAU | sing | 1.47Å | 1.34Å | Aromatic |
OAS | CAT | sing | 1.34Å | 1.33Å | Aromatic |
CAU | CAT | doub | 1.34Å | 1.33Å | Aromatic |
CAU | CAV | sing | 1.51Å | 1.53Å | |
CBE | H1 | sing | 1.09Å | 1.10Å | |
CBE | H2 | sing | 1.09Å | 1.10Å | |
CBE | H3 | sing | 1.09Å | 1.10Å | |
CAZ | H4 | sing | 1.08Å | 1.08Å | |
CAY | H5 | sing | 1.08Å | 1.08Å | |
CAW | H6 | sing | 1.08Å | 1.08Å | |
NAL | H7 | sing | 0.97Å | 1.00Å | |
CAH | H8 | sing | 1.08Å | 1.08Å | |
CAJ | H9 | sing | 1.08Å | 1.08Å | |
CAA | H10 | sing | 1.08Å | 1.08Å | |
CAB | H11 | sing | 1.08Å | 1.08Å | |
CAR | H12 | sing | 1.08Å | 1.08Å | |
CAV | H13 | sing | 1.09Å | 1.10Å | |
CAV | H14 | sing | 1.09Å | 1.10Å | |
CAV | H15 | sing | 1.09Å | 1.10Å | |
CAT | H16 | sing | 1.08Å | 1.08Å | |
CAO | H17 | sing | 1.08Å | 1.08Å | |
CAN | H18 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAY | NAX | CAW | 118.7° | 121.8° |
NAX | CAY | CAZ | 120.2° | 121.0° |
NAX | CAY | H5 | 119.9° | 119.5° |
NAX | CAW | CAM | 120.8° | 120.6° |
NAX | CAW | H6 | 119.6° | 119.7° |
CAY | CAZ | CBA | 121.3° | 119.2° |
CAY | CAZ | H4 | 119.4° | 120.4° |
CAZ | CAY | H5 | 119.9° | 119.5° |
CAW | CAM | CBA | 120.3° | 119.0° |
CAW | CAM | NAL | 122.2° | 120.5° |
CAM | CAW | H6 | 119.6° | 119.6° |
CAZ | CBA | CAM | 118.7° | 118.4° |
CAZ | CBA | SBB | 119.1° | 120.8° |
CBA | CAZ | H4 | 119.4° | 120.4° |
CBA | CAM | NAL | 117.5° | 120.5° |
CAM | CBA | SBB | 122.1° | 120.8° |
CAM | NAL | CAI | 117.3° | 120.0° |
CAM | NAL | H7 | 121.3° | 120.0° |
CBA | SBB | OBC | 109.3° | 104.3° |
CBA | SBB | OBD | 114.7° | 104.3° |
CBA | SBB | CBE | 105.0° | 104.5° |
NAL | CAI | CAJ | 123.4° | 119.6° |
NAL | CAI | CAH | 117.1° | 119.6° |
CAI | NAL | H7 | 121.4° | 120.0° |
OBC | SBB | OBD | 106.2° | 121.0° |
OBC | SBB | CBE | 106.4° | 110.5° |
CAI | CAJ | CAE | 118.6° | 120.0° |
CAJ | CAI | CAH | 119.5° | 120.8° |
CAI | CAJ | H9 | 120.7° | 120.0° |
CAJ | CAE | NAF | 120.0° | 120.9° |
CAJ | CAE | CAD | 121.4° | 119.6° |
CAE | CAJ | H9 | 120.7° | 120.0° |
OBD | SBB | CBE | 114.9° | 110.5° |
SBB | CBE | H1 | 109.5° | 109.5° |
SBB | CBE | H2 | 109.5° | 109.5° |
SBB | CBE | H3 | 109.5° | 109.5° |
CAI | CAH | CAG | 121.2° | 120.6° |
CAI | CAH | H8 | 119.4° | 119.7° |
CAE | NAF | CAA | 122.1° | 119.7° |
NAF | CAE | CAD | 118.6° | 119.5° |
NAF | CAA | CAB | 119.5° | 120.7° |
NAF | CAA | H10 | 120.3° | 119.7° |
CAE | CAD | CAG | 119.5° | 119.4° |
CAE | CAD | NAC | 121.0° | 119.6° |
CAH | CAG | CAD | 119.7° | 119.6° |
CAH | CAG | CAK | 120.3° | 120.2° |
CAG | CAH | H8 | 119.4° | 119.7° |
CAA | CAB | NAC | 118.0° | 120.6° |
CAB | CAA | H10 | 120.3° | 119.6° |
CAA | CAB | H11 | 121.0° | 119.6° |
CAG | CAD | NAC | 119.5° | 121.0° |
CAD | CAG | CAK | 119.9° | 120.2° |
CAD | NAC | CAB | 120.8° | 119.9° |
CAG | CAK | CAN | 120.7° | 120.0° |
CAG | CAK | CAR | 121.1° | 120.0° |
CAK | CAN | CAO | 119.2° | 120.5° |
CAN | CAK | CAR | 118.1° | 120.0° |
CAK | CAN | H18 | 120.4° | 119.8° |
CAN | CAO | CAP | 120.2° | 120.2° |
CAN | CAO | H17 | 119.9° | 119.9° |
CAO | CAN | H18 | 120.4° | 119.7° |
NAC | CAB | H11 | 121.0° | 119.7° |
CAK | CAR | CAQ | 119.8° | 119.5° |
CAK | CAR | H12 | 120.1° | 120.3° |
CAO | CAP | CAQ | 121.7° | 119.5° |
CAO | CAP | OAS | 130.4° | 133.2° |
CAP | CAO | H17 | 119.9° | 120.0° |
CAR | CAQ | CAP | 120.9° | 120.3° |
CAR | CAQ | CAU | 133.6° | 134.2° |
CAQ | CAR | H12 | 120.1° | 120.3° |
CAQ | CAP | OAS | 108.0° | 107.2° |
CAP | CAQ | CAU | 105.5° | 105.5° |
CAP | OAS | CAT | 106.0° | 110.9° |
CAQ | CAU | CAT | 112.6° | 106.2° |
CAQ | CAU | CAV | 125.9° | 126.9° |
OAS | CAT | CAU | 107.9° | 110.2° |
OAS | CAT | H16 | 126.0° | 124.9° |
CAT | CAU | CAV | 121.4° | 126.9° |
CAU | CAT | H16 | 126.0° | 124.9° |
CAU | CAV | H13 | 109.5° | 109.5° |
CAU | CAV | H14 | 109.5° | 109.5° |
CAU | CAV | H15 | 109.5° | 109.5° |
H1 | CBE | H2 | 109.5° | 109.4° |
H1 | CBE | H3 | 109.4° | 109.5° |
H2 | CBE | H3 | 109.5° | 109.4° |
H13 | CAV | H14 | 109.5° | 109.4° |
H13 | CAV | H15 | 109.5° | 109.5° |
H14 | CAV | H15 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAX | CAY | CAZ | H5 | 180.0° | 180.0° |
CAY | NAX | CAW | CAM | 0.2° | 0.3° |
NAX | CAY | CAZ | CBA | 1.7° | 0.0° |
NAX | CAY | CAZ | H4 | 178.4° | 179.9° |
CAY | NAX | CAW | H6 | 179.8° | 180.0° |
CAW | NAX | CAY | CAZ | 0.5° | 0.0° |
NAX | CAW | CAM | H6 | 180.0° | 179.7° |
NAX | CAW | CAM | CBA | 0.3° | 0.6° |
NAX | CAW | CAM | NAL | 179.7° | 180.0° |
CAW | NAX | CAY | H5 | 179.5° | 180.0° |
CAY | CAZ | CBA | H4 | 180.0° | 180.0° |
CAY | CAZ | CBA | CAM | 2.1° | 0.2° |
CAY | CAZ | CBA | SBB | 178.8° | 180.0° |
CAW | CAM | CBA | CAZ | 1.4° | 0.5° |
CAW | CAM | CBA | NAL | 180.0° | 179.5° |
CAW | CAM | CBA | SBB | 178.0° | 179.7° |
CAW | CAM | NAL | CAI | 33.4° | 7.5° |
CAW | CAM | NAL | H7 | 146.6° | 172.5° |
CAZ | CBA | CAM | SBB | 176.6° | 179.7° |
CAZ | CBA | CAM | NAL | 178.6° | 180.0° |
CAZ | CBA | SBB | OBC | 0.5° | 1.1° |
CAZ | CBA | SBB | OBD | 119.5° | 128.9° |
CAZ | CBA | SBB | CBE | 113.3° | 115.0° |
CBA | CAZ | CAY | H5 | 178.4° | 180.0° |
CBA | CAM | NAL | CAI | 146.6° | 172.0° |
CAM | CBA | SBB | OBC | 177.0° | 178.7° |
CAM | CBA | SBB | OBD | 63.9° | 50.8° |
CAM | CBA | SBB | CBE | 63.2° | 65.3° |
CAM | CBA | CAZ | H4 | 177.9° | 179.8° |
CBA | CAM | CAW | H6 | 179.7° | 179.7° |
CBA | CAM | NAL | H7 | 33.4° | 8.1° |
NAL | CAM | CBA | SBB | 2.0° | 0.3° |
CAM | NAL | CAI | H7 | 180.0° | 180.0° |
CAM | NAL | CAI | CAJ | 28.2° | 137.5° |
CAM | NAL | CAI | CAH | 150.9° | 42.3° |
NAL | CAM | CAW | H6 | 0.3° | 0.3° |
CBA | SBB | OBC | OBD | 124.2° | 116.8° |
CBA | SBB | OBC | CBE | 112.9° | 111.8° |
CBA | SBB | OBD | CBE | 121.9° | 111.7° |
CBA | SBB | CBE | H1 | 180.0° | 180.0° |
CBA | SBB | CBE | H2 | 60.0° | 60.0° |
CBA | SBB | CBE | H3 | 60.0° | 59.9° |
SBB | CBA | CAZ | H4 | 1.3° | 0.1° |
NAL | CAI | CAJ | CAH | 179.1° | 179.8° |
NAL | CAI | CAJ | CAE | 179.6° | 180.0° |
NAL | CAI | CAH | CAG | 179.7° | 180.0° |
NAL | CAI | CAH | H8 | 0.3° | 0.1° |
NAL | CAI | CAJ | H9 | 0.4° | 0.1° |
OBC | SBB | OBD | CBE | 117.3° | 131.5° |
OBC | SBB | CBE | H1 | 64.2° | 68.4° |
OBC | SBB | CBE | H2 | 55.8° | 51.6° |
OBC | SBB | CBE | H3 | 175.8° | 171.6° |
CAI | CAJ | CAE | H9 | 180.0° | 179.9° |
CAI | CAJ | CAE | NAF | 179.8° | 180.0° |
CAI | CAJ | CAE | CAD | 1.0° | 0.1° |
CAJ | CAI | CAH | CAG | 0.6° | 0.2° |
CAJ | CAI | NAL | H7 | 151.8° | 42.5° |
CAJ | CAI | CAH | H8 | 179.4° | 179.7° |
CAE | CAJ | CAI | CAH | 1.3° | 0.2° |
CAJ | CAE | NAF | CAD | 179.2° | 179.9° |
CAJ | CAE | NAF | CAA | 179.0° | 180.0° |
CAJ | CAE | CAD | CAG | 0.1° | 0.4° |
CAJ | CAE | CAD | NAC | 179.7° | 180.0° |
OBD | SBB | CBE | H1 | 53.0° | 68.4° |
OBD | SBB | CBE | H2 | 173.0° | 171.7° |
OBD | SBB | CBE | H3 | 67.0° | 51.7° |
SBB | CBE | H1 | H2 | 120.0° | 120.0° |
SBB | CBE | H1 | H3 | 120.0° | 120.0° |
SBB | CBE | H2 | H3 | 120.0° | 120.0° |
CAI | CAH | CAG | H8 | 180.0° | 179.9° |
CAI | CAH | CAG | CAD | 0.5° | 0.1° |
CAI | CAH | CAG | CAK | 177.4° | 180.0° |
CAH | CAI | NAL | H7 | 29.1° | 137.7° |
CAH | CAI | CAJ | H9 | 178.6° | 179.7° |
CAE | NAF | CAA | CAB | 0.7° | 0.0° |
NAF | CAE | CAD | CAG | 179.1° | 179.7° |
NAF | CAE | CAD | NAC | 0.5° | 0.1° |
NAF | CAE | CAJ | H9 | 0.2° | 0.1° |
CAE | NAF | CAA | H10 | 179.2° | 180.0° |
CAA | NAF | CAE | CAD | 0.2° | 0.1° |
NAF | CAA | CAB | H10 | 180.0° | 180.0° |
NAF | CAA | CAB | NAC | 0.6° | 0.0° |
NAF | CAA | CAB | H11 | 179.4° | 179.9° |
CAE | CAD | CAG | CAH | 0.9° | 0.4° |
CAE | CAD | CAG | NAC | 179.6° | 179.6° |
CAE | CAD | CAG | CAK | 177.8° | 179.7° |
CAE | CAD | NAC | CAB | 0.6° | 0.1° |
CAD | CAE | CAJ | H9 | 179.0° | 180.0° |
CAH | CAG | CAD | CAK | 176.9° | 179.9° |
CAH | CAG | CAD | NAC | 179.5° | 180.0° |
CAH | CAG | CAK | CAN | 128.0° | 129.8° |
CAH | CAG | CAK | CAR | 55.0° | 50.0° |
CAA | CAB | NAC | CAD | 0.0° | 0.0° |
CAA | CAB | NAC | H11 | 180.0° | 180.0° |
CAD | CAG | CAK | CAN | 55.1° | 50.3° |
CAG | CAD | NAC | CAB | 179.0° | 179.7° |
CAD | CAG | CAK | CAR | 121.9° | 130.0° |
CAD | CAG | CAH | H8 | 179.5° | 180.0° |
NAC | CAD | CAG | CAK | 2.6° | 0.1° |
CAD | NAC | CAB | H11 | 179.9° | 180.0° |
CAG | CAK | CAN | CAR | 177.1° | 179.7° |
CAG | CAK | CAN | CAO | 179.8° | 179.7° |
CAG | CAK | CAR | CAQ | 179.3° | 180.0° |
CAK | CAG | CAH | H8 | 2.5° | 0.1° |
CAG | CAK | CAR | H12 | 0.7° | 0.1° |
CAG | CAK | CAN | H18 | 0.2° | 0.0° |
CAK | CAN | CAO | H18 | 180.0° | 179.7° |
CAK | CAN | CAO | CAP | 1.8° | 0.6° |
CAN | CAK | CAR | CAQ | 2.3° | 0.2° |
CAN | CAK | CAR | H12 | 177.7° | 179.8° |
CAK | CAN | CAO | H17 | 178.2° | 179.8° |
CAO | CAN | CAK | CAR | 2.8° | 0.5° |
CAN | CAO | CAP | H17 | 180.0° | 179.6° |
CAN | CAO | CAP | CAQ | 0.3° | 0.3° |
CAN | CAO | CAP | OAS | 178.7° | 179.7° |
NAC | CAB | CAA | H10 | 179.4° | 180.0° |
CAK | CAR | CAQ | H12 | 180.0° | 180.0° |
CAK | CAR | CAQ | CAP | 0.8° | 0.1° |
CAK | CAR | CAQ | CAU | 179.7° | 180.0° |
CAR | CAK | CAN | H18 | 177.2° | 179.8° |
CAO | CAP | CAQ | CAR | 0.2° | 0.0° |
CAO | CAP | CAQ | OAS | 179.2° | 180.0° |
CAO | CAP | CAQ | CAU | 179.4° | 179.9° |
CAO | CAP | OAS | CAT | 179.6° | 179.9° |
CAP | CAO | CAN | H18 | 178.1° | 179.7° |
CAR | CAQ | CAP | CAU | 179.7° | 179.9° |
CAR | CAQ | CAP | OAS | 179.4° | 180.0° |
CAR | CAQ | CAU | CAT | 179.8° | 179.9° |
CAR | CAQ | CAU | CAV | 0.9° | 0.1° |
CAQ | CAP | OAS | CAT | 0.5° | 0.0° |
CAP | CAQ | CAU | CAT | 0.1° | 0.0° |
CAP | CAQ | CAU | CAV | 179.5° | 180.0° |
CAP | CAQ | CAR | H12 | 179.2° | 179.9° |
CAQ | CAP | CAO | H17 | 179.7° | 180.0° |
OAS | CAP | CAQ | CAU | 0.2° | 0.0° |
CAP | OAS | CAT | CAU | 0.6° | 0.0° |
CAP | OAS | CAT | H16 | 179.4° | 180.0° |
OAS | CAP | CAO | H17 | 1.3° | 0.1° |
CAQ | CAU | CAT | OAS | 0.5° | 0.0° |
CAQ | CAU | CAT | CAV | 179.4° | 179.9° |
CAU | CAQ | CAR | H12 | 0.3° | 0.0° |
CAQ | CAU | CAV | H13 | 90.3° | 90.0° |
CAQ | CAU | CAV | H14 | 149.6° | 150.1° |
CAQ | CAU | CAV | H15 | 29.7° | 30.1° |
CAQ | CAU | CAT | H16 | 179.5° | 179.9° |
OAS | CAT | CAU | H16 | 180.0° | 180.0° |
OAS | CAT | CAU | CAV | 179.9° | 180.0° |
CAT | CAU | CAV | H13 | 90.3° | 90.0° |
CAT | CAU | CAV | H14 | 29.7° | 30.0° |
CAT | CAU | CAV | H15 | 149.7° | 150.0° |
CAU | CAV | H13 | H14 | 120.0° | 120.0° |
CAU | CAV | H13 | H15 | 120.0° | 120.1° |
CAU | CAV | H14 | H15 | 120.0° | 120.0° |
CAV | CAU | CAT | H16 | 0.1° | 0.0° |
H1 | CBE | H2 | H3 | 120.0° | 120.0° |
H4 | CAZ | CAY | H5 | 1.6° | 0.0° |
H10 | CAA | CAB | H11 | 0.6° | 0.1° |
H13 | CAV | H14 | H15 | 120.0° | 120.0° |
H17 | CAO | CAN | H18 | 1.9° | 0.1° |