GJQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAW | NAU | sing | 1.22Å | 1.46Å | |
CAS | CAR | doub | 1.38Å | 1.39Å | Aromatic |
CAS | CAT | sing | 1.38Å | 1.38Å | Aromatic |
NAU | CAT | sing | 1.48Å | 1.35Å | |
NAU | OAV | doub | 1.22Å | 1.45Å | |
CAR | CAQ | sing | 1.38Å | 1.37Å | Aromatic |
CAT | CAX | doub | 1.38Å | 1.41Å | Aromatic |
CAQ | CAP | sing | 1.51Å | 1.41Å | |
CAQ | CAY | doub | 1.38Å | 1.41Å | Aromatic |
NAO | CAP | sing | 1.47Å | 1.45Å | |
NAO | CAM | doub | 1.31Å | 1.34Å | |
CAX | CAY | sing | 1.38Å | 1.41Å | Aromatic |
CL1 | CAB | sing | 1.74Å | 1.82Å | |
CAP | NAI | sing | 1.47Å | 1.46Å | |
NAN | CAM | sing | 1.38Å | 1.32Å | |
CAM | NAL | sing | 1.34Å | 1.33Å | |
CAA | CAB | doub | 1.38Å | 1.38Å | Aromatic |
CAA | CAH | sing | 1.39Å | 1.39Å | Aromatic |
CAB | CAD | sing | 1.39Å | 1.40Å | Aromatic |
NAI | CAH | sing | 1.40Å | 1.34Å | |
NAI | CAJ | sing | 1.38Å | 1.36Å | |
CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
NAL | CAJ | doub | 1.32Å | 1.34Å | |
CAJ | NAK | sing | 1.37Å | 1.35Å | |
CAD | CL2 | sing | 1.74Å | 1.75Å | |
CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAF | sing | 1.38Å | 1.38Å | Aromatic |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
CAG | H3 | sing | 1.08Å | 1.08Å | |
NAK | H5 | sing | 0.97Å | 1.00Å | |
NAK | H6 | sing | 0.97Å | 1.00Å | |
NAN | H8 | sing | 0.97Å | 1.00Å | |
NAN | H9 | sing | 0.97Å | 1.00Å | |
CAP | H11 | sing | 1.09Å | 1.10Å | |
CAR | H12 | sing | 1.08Å | 1.08Å | |
CAS | 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) |
OAW | NAU | CAT | 121.9° | 120.0° |
OAW | NAU | OAV | 115.4° | 120.0° |
CAR | CAS | CAT | 122.2° | 120.0° |
CAS | CAR | CAQ | 118.4° | 120.0° |
CAS | CAR | H12 | 120.8° | 120.0° |
CAR | CAS | H13 | 118.9° | 120.0° |
CAS | CAT | NAU | 116.5° | 120.0° |
CAS | CAT | CAX | 119.2° | 120.0° |
CAT | CAS | H13 | 118.9° | 120.0° |
CAT | NAU | OAV | 122.3° | 120.0° |
NAU | CAT | CAX | 124.3° | 120.0° |
CAR | CAQ | CAP | 113.0° | 120.0° |
CAR | CAQ | CAY | 122.0° | 120.0° |
CAQ | CAR | H12 | 120.8° | 120.0° |
CAT | CAX | CAY | 119.5° | 120.0° |
CAT | CAX | H14 | 120.2° | 120.0° |
CAP | CAQ | CAY | 125.1° | 120.0° |
CAQ | CAP | NAO | 110.9° | 109.7° |
CAQ | CAP | NAI | 119.1° | 110.0° |
CAQ | CAP | H11 | 104.4° | 109.7° |
CAQ | CAY | CAX | 118.7° | 120.0° |
CAQ | CAY | H15 | 120.6° | 119.9° |
CAP | NAO | CAM | 118.6° | 120.4° |
NAO | CAP | NAI | 112.8° | 108.1° |
NAO | CAP | H11 | 104.0° | 109.7° |
NAO | CAM | NAN | 117.1° | 119.0° |
NAO | CAM | NAL | 122.6° | 122.0° |
CAY | CAX | H14 | 120.3° | 120.0° |
CAX | CAY | H15 | 120.7° | 120.0° |
CL1 | CAB | CAA | 117.6° | 120.0° |
CL1 | CAB | CAD | 123.4° | 120.0° |
CAP | NAI | CAH | 115.3° | 121.2° |
CAP | NAI | CAJ | 121.0° | 117.6° |
NAI | CAP | H11 | 103.8° | 109.5° |
NAN | CAM | NAL | 119.6° | 119.1° |
CAM | NAN | H8 | 120.0° | 119.9° |
CAM | NAN | H9 | 120.0° | 120.0° |
CAM | NAL | CAJ | 122.0° | 120.9° |
CAB | CAA | CAH | 121.1° | 120.0° |
CAA | CAB | CAD | 119.0° | 120.0° |
CAB | CAA | H1 | 119.4° | 120.0° |
CAA | CAH | NAI | 122.0° | 120.1° |
CAA | CAH | CAG | 118.8° | 119.9° |
CAH | CAA | H1 | 119.5° | 120.0° |
CAB | CAD | CL2 | 121.4° | 119.9° |
CAB | CAD | CAF | 120.9° | 120.1° |
CAH | NAI | CAJ | 122.8° | 121.2° |
NAI | CAH | CAG | 119.1° | 120.1° |
NAI | CAJ | NAL | 118.9° | 118.6° |
NAI | CAJ | NAK | 124.0° | 120.7° |
CAH | CAG | CAF | 121.6° | 120.0° |
CAH | CAG | H3 | 119.2° | 120.0° |
NAL | CAJ | NAK | 117.0° | 120.7° |
CAJ | NAK | H5 | 120.0° | 120.1° |
CAJ | NAK | H6 | 120.0° | 120.0° |
CL2 | CAD | CAF | 117.7° | 120.0° |
CAD | CAF | CAG | 118.7° | 120.1° |
CAD | CAF | H2 | 120.7° | 120.0° |
CAG | CAF | H2 | 120.7° | 120.0° |
CAF | CAG | H3 | 119.2° | 120.0° |
H5 | NAK | H6 | 120.0° | 120.0° |
H8 | NAN | H9 | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAW | NAU | CAT | CAS | 2.0° | 180.0° |
OAW | NAU | CAT | OAV | 172.5° | 180.0° |
OAW | NAU | CAT | CAX | 176.3° | 0.0° |
CAR | CAS | CAT | H13 | 180.0° | 179.9° |
CAR | CAS | CAT | NAU | 179.2° | 180.0° |
CAS | CAR | CAQ | H12 | 180.0° | 179.9° |
CAR | CAS | CAT | CAX | 0.8° | 0.1° |
CAS | CAR | CAQ | CAP | 178.6° | 180.0° |
CAS | CAR | CAQ | CAY | 1.4° | 0.4° |
CAS | CAT | NAU | CAX | 178.4° | 180.0° |
CAS | CAT | NAU | OAV | 174.5° | 0.0° |
CAT | CAS | CAR | CAQ | 1.2° | 0.1° |
CAS | CAT | CAX | CAY | 0.4° | 0.3° |
CAT | CAS | CAR | H12 | 178.8° | 180.0° |
CAS | CAT | CAX | H14 | 179.6° | 180.0° |
NAU | CAT | CAX | CAY | 178.7° | 179.7° |
NAU | CAT | CAS | H13 | 0.8° | 0.0° |
NAU | CAT | CAX | H14 | 1.3° | 0.0° |
OAV | NAU | CAT | CAX | 3.8° | 180.0° |
CAR | CAQ | CAP | CAY | 180.0° | 179.7° |
CAR | CAQ | CAP | NAO | 94.0° | 150.3° |
CAR | CAQ | CAY | CAX | 1.1° | 0.6° |
CAR | CAQ | CAP | NAI | 132.6° | 31.5° |
CAR | CAQ | CAP | H11 | 17.4° | 89.1° |
CAQ | CAR | CAS | H13 | 178.8° | 180.0° |
CAR | CAQ | CAY | H15 | 178.9° | 179.7° |
CAT | CAX | CAY | CAQ | 0.6° | 0.5° |
CAT | CAX | CAY | H14 | 180.0° | 179.7° |
CAX | CAT | CAS | H13 | 179.3° | 180.0° |
CAT | CAX | CAY | H15 | 179.4° | 179.8° |
CAQ | CAP | NAO | NAI | 136.5° | 120.0° |
CAQ | CAP | NAO | H11 | 111.7° | 120.6° |
CAQ | CAP | NAO | CAM | 158.4° | 92.6° |
CAP | CAQ | CAY | CAX | 178.9° | 179.8° |
CAQ | CAP | NAI | H11 | 115.5° | 120.7° |
CAQ | CAP | NAI | CAH | 37.8° | 100.5° |
CAQ | CAP | NAI | CAJ | 153.0° | 79.3° |
CAP | CAQ | CAR | H12 | 1.4° | 0.0° |
CAP | CAQ | CAY | H15 | 1.1° | 0.1° |
CAY | CAQ | CAP | NAO | 86.0° | 30.1° |
CAQ | CAY | CAX | H15 | 180.0° | 179.7° |
CAY | CAQ | CAP | NAI | 47.4° | 148.9° |
CAY | CAQ | CAP | H11 | 162.6° | 90.6° |
CAY | CAQ | CAR | H12 | 178.6° | 179.7° |
CAQ | CAY | CAX | H14 | 179.4° | 179.8° |
NAO | CAP | NAI | H11 | 111.9° | 119.5° |
CAP | NAO | CAM | NAN | 172.0° | 177.6° |
CAP | NAO | CAM | NAL | 17.7° | 2.4° |
NAO | CAP | NAI | CAH | 170.4° | 139.7° |
NAO | CAP | NAI | CAJ | 20.3° | 40.5° |
CAM | NAO | CAP | NAI | 21.9° | 27.4° |
NAO | CAM | NAN | NAL | 170.6° | 180.0° |
NAO | CAM | NAL | CAJ | 9.6° | 12.9° |
NAO | CAM | NAN | H8 | 0.0° | 179.9° |
NAO | CAM | NAN | H9 | 180.0° | 0.0° |
CAM | NAO | CAP | H11 | 89.9° | 146.8° |
CL1 | CAB | CAA | CAD | 178.3° | 180.0° |
CL1 | CAB | CAA | CAH | 177.6° | 180.0° |
CL1 | CAB | CAD | CL2 | 1.5° | 0.1° |
CL1 | CAB | CAD | CAF | 179.3° | 180.0° |
CL1 | CAB | CAA | H1 | 2.4° | 0.3° |
CAP | NAI | CAH | CAA | 52.6° | 112.4° |
CAP | NAI | CAH | CAJ | 169.0° | 179.8° |
CAP | NAI | CAH | CAG | 125.1° | 67.6° |
CAP | NAI | CAJ | NAL | 13.5° | 29.6° |
CAP | NAI | CAJ | NAK | 170.7° | 150.4° |
NAN | CAM | NAL | CAJ | 179.7° | 167.1° |
CAM | NAN | H8 | H9 | 180.0° | 180.0° |
CAM | NAL | CAJ | NAI | 7.2° | 1.3° |
CAM | NAL | CAJ | NAK | 176.7° | 178.7° |
NAL | CAM | NAN | H8 | 170.6° | 0.0° |
NAL | CAM | NAN | H9 | 9.4° | 180.0° |
CAB | CAA | CAH | H1 | 180.0° | 179.7° |
CAB | CAA | CAH | NAI | 179.9° | 180.0° |
CAB | CAA | CAH | CAG | 2.4° | 0.0° |
CAA | CAB | CAD | CL2 | 179.7° | 179.9° |
CAA | CAB | CAD | CAF | 1.1° | 0.0° |
CAH | CAA | CAB | CAD | 0.8° | 0.0° |
CAA | CAH | NAI | CAG | 177.7° | 180.0° |
CAA | CAH | NAI | CAJ | 116.5° | 67.3° |
CAA | CAH | CAG | CAF | 2.3° | 0.0° |
CAA | CAH | CAG | H3 | 177.7° | 180.0° |
CAB | CAD | CL2 | CAF | 179.2° | 179.9° |
CAB | CAD | CAF | CAG | 1.2° | 0.1° |
CAD | CAB | CAA | H1 | 179.2° | 179.8° |
CAB | CAD | CAF | H2 | 178.8° | 180.0° |
CAH | NAI | CAJ | NAL | 178.1° | 150.6° |
CAH | NAI | CAJ | NAK | 2.2° | 29.4° |
NAI | CAH | CAG | CAF | 180.0° | 180.0° |
NAI | CAH | CAA | H1 | 0.1° | 0.2° |
NAI | CAH | CAG | H3 | 0.0° | 0.0° |
CAH | NAI | CAP | H11 | 77.7° | 20.2° |
CAJ | NAI | CAH | CAG | 65.9° | 112.6° |
NAI | CAJ | NAL | NAK | 176.2° | 180.0° |
NAI | CAJ | NAK | H5 | 175.9° | 5.0° |
NAI | CAJ | NAK | H6 | 4.0° | 174.9° |
CAJ | NAI | CAP | H11 | 91.6° | 160.0° |
CAH | CAG | CAF | CAD | 0.5° | 0.0° |
CAH | CAG | CAF | H3 | 180.0° | 180.0° |
CAG | CAH | CAA | H1 | 177.6° | 179.7° |
CAH | CAG | CAF | H2 | 179.5° | 180.0° |
NAL | CAJ | NAK | H5 | 0.0° | 174.9° |
NAL | CAJ | NAK | H6 | 180.0° | 5.1° |
CAJ | NAK | H5 | H6 | 180.0° | 179.9° |
CL2 | CAD | CAF | CAG | 179.6° | 179.9° |
CL2 | CAD | CAF | H2 | 0.4° | 0.1° |
CAD | CAF | CAG | H2 | 180.0° | 180.0° |
CAD | CAF | CAG | H3 | 179.5° | 180.0° |
H2 | CAF | CAG | H3 | 0.5° | 0.0° |
H12 | CAR | CAS | H13 | 1.2° | 0.1° |
H14 | CAX | CAY | H15 | 0.6° | 0.1° |