4GK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | NAL | sing | 1.33Å | 1.35Å | Aromatic |
| CAI | CAQ | doub | 1.35Å | 1.40Å | Aromatic |
| CAA | CAQ | sing | 1.51Å | 1.52Å | |
| NAL | CAR | doub | 1.31Å | 1.37Å | Aromatic |
| CAQ | NBA | sing | 1.36Å | 1.35Å | Aromatic |
| CAR | CAB | sing | 1.51Å | 1.51Å | |
| CAR | CAY | sing | 1.41Å | 1.38Å | Aromatic |
| NBA | CAY | sing | 1.37Å | 1.31Å | Aromatic |
| NBA | NAP | sing | 1.40Å | 1.38Å | Aromatic |
| CAY | NAN | doub | 1.33Å | 1.34Å | Aromatic |
| NAP | CAS | doub | 1.31Å | 1.34Å | Aromatic |
| NAN | CAS | sing | 1.32Å | 1.34Å | Aromatic |
| CAS | CAJ | sing | 1.51Å | 1.49Å | |
| CAJ | CAK | sing | 1.53Å | 1.51Å | |
| CAK | CAT | sing | 1.51Å | 1.51Å | |
| CAT | NAO | doub | 1.30Å | 1.35Å | Aromatic |
| CAT | NAZ | sing | 1.36Å | 1.33Å | Aromatic |
| NAO | CAX | sing | 1.35Å | 1.33Å | Aromatic |
| CAC | NAZ | sing | 1.46Å | 1.49Å | |
| NAZ | CAW | sing | 1.38Å | 1.33Å | Aromatic |
| CAX | CAW | doub | 1.40Å | 1.37Å | Aromatic |
| CAX | CAV | sing | 1.46Å | 1.37Å | Aromatic |
| CAF | CAV | doub | 1.40Å | 1.41Å | Aromatic |
| CAF | CAD | sing | 1.37Å | 1.40Å | Aromatic |
| CAW | CAH | sing | 1.40Å | 1.41Å | Aromatic |
| CAV | CAU | sing | 1.42Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAG | doub | 1.36Å | 1.39Å | Aromatic |
| CAU | CAG | sing | 1.41Å | 1.40Å | Aromatic |
| CAU | NAM | doub | 1.34Å | 1.35Å | Aromatic |
| CAE | NAM | sing | 1.31Å | 1.36Å | Aromatic |
| CAC | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAB | H18 | sing | 1.09Å | 1.10Å | |
| CAI | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAL | CAI | CAQ | 119.5° | 121.2° |
| CAI | NAL | CAR | 120.7° | 121.2° |
| NAL | CAI | H19 | 120.3° | 119.4° |
| CAI | CAQ | CAA | 120.6° | 120.1° |
| CAI | CAQ | NBA | 118.5° | 119.7° |
| CAQ | CAI | H19 | 120.2° | 119.4° |
| CAA | CAQ | NBA | 120.9° | 120.1° |
| CAQ | CAA | H13 | 109.5° | 109.4° |
| CAQ | CAA | H14 | 109.5° | 109.5° |
| CAQ | CAA | H15 | 109.5° | 109.4° |
| NAL | CAR | CAB | 124.7° | 120.2° |
| NAL | CAR | CAY | 118.5° | 119.7° |
| CAQ | NBA | CAY | 121.9° | 119.3° |
| CAQ | NBA | NAP | 125.7° | 134.4° |
| CAB | CAR | CAY | 116.7° | 120.1° |
| CAR | CAB | H16 | 109.5° | 109.5° |
| CAR | CAB | H17 | 109.4° | 109.5° |
| CAR | CAB | H18 | 109.4° | 109.5° |
| CAR | CAY | NBA | 120.8° | 118.8° |
| CAR | CAY | NAN | 133.5° | 133.8° |
| CAY | NBA | NAP | 112.4° | 106.3° |
| NBA | CAY | NAN | 105.7° | 107.3° |
| NBA | NAP | CAS | 102.6° | 107.0° |
| CAY | NAN | CAS | 109.1° | 109.8° |
| NAP | CAS | NAN | 110.2° | 109.6° |
| NAP | CAS | CAJ | 126.0° | 125.2° |
| NAN | CAS | CAJ | 123.7° | 125.2° |
| CAS | CAJ | CAK | 104.4° | 109.5° |
| CAS | CAJ | H11 | 110.7° | 109.5° |
| CAS | CAJ | H12 | 110.7° | 109.5° |
| CAJ | CAK | CAT | 108.7° | 109.5° |
| CAJ | CAK | H9 | 109.6° | 109.5° |
| CAJ | CAK | H10 | 109.7° | 109.5° |
| CAK | CAJ | H11 | 110.7° | 109.4° |
| CAK | CAJ | H12 | 110.7° | 109.5° |
| CAK | CAT | NAO | 125.2° | 125.1° |
| CAK | CAT | NAZ | 123.9° | 125.1° |
| CAT | CAK | H9 | 109.7° | 109.4° |
| CAT | CAK | H10 | 109.6° | 109.5° |
| NAO | CAT | NAZ | 110.8° | 109.9° |
| CAT | NAO | CAX | 103.9° | 109.7° |
| CAT | NAZ | CAC | 123.0° | 126.4° |
| CAT | NAZ | CAW | 108.7° | 107.2° |
| NAO | CAX | CAW | 111.8° | 107.4° |
| NAO | CAX | CAV | 124.9° | 134.1° |
| CAC | NAZ | CAW | 128.2° | 126.4° |
| NAZ | CAC | H1 | 109.5° | 109.5° |
| NAZ | CAC | H2 | 109.5° | 109.5° |
| NAZ | CAC | H3 | 109.5° | 109.5° |
| NAZ | CAW | CAX | 104.8° | 105.9° |
| NAZ | CAW | CAH | 135.5° | 133.7° |
| CAW | CAX | CAV | 123.3° | 118.6° |
| CAX | CAW | CAH | 119.8° | 120.4° |
| CAX | CAV | CAF | 120.6° | 121.7° |
| CAX | CAV | CAU | 117.3° | 119.0° |
| CAV | CAF | CAD | 117.6° | 118.2° |
| CAF | CAV | CAU | 122.1° | 119.3° |
| CAV | CAF | H8 | 121.2° | 121.0° |
| CAF | CAD | CAE | 119.0° | 119.8° |
| CAF | CAD | H7 | 120.5° | 120.1° |
| CAD | CAF | H8 | 121.2° | 120.9° |
| CAW | CAH | CAG | 118.3° | 121.6° |
| CAW | CAH | H4 | 120.9° | 119.2° |
| CAV | CAU | CAG | 120.9° | 119.4° |
| CAV | CAU | NAM | 118.1° | 119.7° |
| CAD | CAE | NAM | 121.4° | 121.7° |
| CAD | CAE | H6 | 119.3° | 119.1° |
| CAE | CAD | H7 | 120.5° | 120.1° |
| CAH | CAG | CAU | 120.3° | 121.0° |
| CAG | CAH | H4 | 120.8° | 119.2° |
| CAH | CAG | H5 | 119.8° | 119.5° |
| CAG | CAU | NAM | 120.9° | 120.9° |
| CAU | CAG | H5 | 119.8° | 119.5° |
| CAU | NAM | CAE | 121.9° | 121.3° |
| NAM | CAE | H6 | 119.3° | 119.1° |
| H1 | CAC | H2 | 109.5° | 109.4° |
| H1 | CAC | H3 | 109.4° | 109.4° |
| H2 | CAC | H3 | 109.5° | 109.5° |
| H9 | CAK | H10 | 109.5° | 109.4° |
| H11 | CAJ | H12 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.4° | 109.5° |
| H13 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H16 | CAB | H17 | 109.4° | 109.4° |
| H16 | CAB | H18 | 109.5° | 109.5° |
| H17 | CAB | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAL | CAI | CAQ | H19 | 180.0° | 179.8° |
| NAL | CAI | CAQ | CAA | 179.2° | 179.9° |
| NAL | CAI | CAQ | NBA | 0.3° | 0.1° |
| CAI | NAL | CAR | CAB | 179.8° | 179.8° |
| CAI | NAL | CAR | CAY | 0.1° | 0.1° |
| CAI | CAQ | CAA | NBA | 178.8° | 180.0° |
| CAQ | CAI | NAL | CAR | 0.1° | 0.2° |
| CAI | CAQ | NBA | CAY | 0.7° | 0.0° |
| CAI | CAQ | NBA | NAP | 179.2° | 179.9° |
| CAI | CAQ | CAA | H13 | 89.4° | 90.1° |
| CAI | CAQ | CAA | H14 | 150.6° | 30.0° |
| CAI | CAQ | CAA | H15 | 30.6° | 150.0° |
| CAA | CAQ | NBA | CAY | 179.5° | 180.0° |
| CAA | CAQ | NBA | NAP | 0.4° | 0.0° |
| CAQ | CAA | H13 | H14 | 120.0° | 120.0° |
| CAQ | CAA | H13 | H15 | 120.0° | 119.9° |
| CAQ | CAA | H14 | H15 | 120.0° | 120.0° |
| CAA | CAQ | CAI | H19 | 0.8° | 0.1° |
| NAL | CAR | CAB | CAY | 179.6° | 179.9° |
| NAL | CAR | CAY | NBA | 0.2° | 0.1° |
| NAL | CAR | CAY | NAN | 179.6° | 179.9° |
| NAL | CAR | CAB | H16 | 0.0° | 89.9° |
| NAL | CAR | CAB | H17 | 120.0° | 30.1° |
| NAL | CAR | CAB | H18 | 120.0° | 150.0° |
| CAR | NAL | CAI | H19 | 179.9° | 180.0° |
| CAQ | NBA | CAY | CAR | 0.6° | 0.1° |
| CAQ | NBA | CAY | NAP | 179.9° | 179.9° |
| CAQ | NBA | CAY | NAN | 179.2° | 180.0° |
| CAQ | NBA | NAP | CAS | 179.9° | 179.9° |
| NBA | CAQ | CAA | H13 | 89.4° | 90.0° |
| NBA | CAQ | CAA | H14 | 30.6° | 150.0° |
| NBA | CAQ | CAA | H15 | 150.6° | 30.0° |
| NBA | CAQ | CAI | H19 | 179.7° | 180.0° |
| CAB | CAR | CAY | NBA | 179.4° | 180.0° |
| CAB | CAR | CAY | NAN | 0.7° | 0.2° |
| CAR | CAB | H16 | H17 | 120.0° | 120.0° |
| CAR | CAB | H16 | H18 | 120.0° | 120.1° |
| CAR | CAB | H17 | H18 | 120.0° | 120.0° |
| CAR | CAY | NBA | NAN | 179.9° | 179.9° |
| CAR | CAY | NBA | NAP | 179.3° | 179.9° |
| CAR | CAY | NAN | CAS | 178.8° | 179.8° |
| CAY | CAR | CAB | H16 | 179.6° | 90.0° |
| CAY | CAR | CAB | H17 | 60.4° | 150.0° |
| CAY | CAR | CAB | H18 | 59.6° | 30.1° |
| CAY | NBA | NAP | CAS | 0.0° | 0.2° |
| NBA | CAY | NAN | CAS | 1.3° | 0.1° |
| NAP | NBA | CAY | NAN | 0.8° | 0.0° |
| NBA | NAP | CAS | NAN | 0.8° | 0.3° |
| NBA | NAP | CAS | CAJ | 179.9° | 180.0° |
| CAY | NAN | CAS | NAP | 1.4° | 0.2° |
| CAY | NAN | CAS | CAJ | 179.3° | 180.0° |
| NAP | CAS | NAN | CAJ | 179.3° | 179.7° |
| NAP | CAS | CAJ | CAK | 74.2° | 90.3° |
| NAP | CAS | CAJ | H11 | 44.9° | 149.8° |
| NAP | CAS | CAJ | H12 | 166.6° | 29.7° |
| NAN | CAS | CAJ | CAK | 105.0° | 90.0° |
| NAN | CAS | CAJ | H11 | 135.8° | 29.9° |
| NAN | CAS | CAJ | H12 | 14.2° | 150.0° |
| CAS | CAJ | CAK | H11 | 119.2° | 120.0° |
| CAS | CAJ | CAK | H12 | 119.2° | 120.0° |
| CAS | CAJ | CAK | CAT | 175.3° | 180.0° |
| CAS | CAJ | CAK | H9 | 55.4° | 60.0° |
| CAS | CAJ | CAK | H10 | 64.8° | 59.9° |
| CAS | CAJ | H11 | H12 | 122.4° | 120.0° |
| CAJ | CAK | CAT | H9 | 119.9° | 120.0° |
| CAJ | CAK | CAT | H10 | 119.9° | 120.1° |
| CAJ | CAK | CAT | NAO | 43.3° | 89.9° |
| CAJ | CAK | CAT | NAZ | 135.8° | 90.4° |
| CAJ | CAK | H9 | H10 | 120.3° | 120.0° |
| CAK | CAJ | H11 | H12 | 122.3° | 120.0° |
| CAK | CAT | NAO | NAZ | 179.2° | 179.7° |
| CAK | CAT | NAO | CAX | 179.6° | 179.9° |
| CAK | CAT | NAZ | CAC | 0.1° | 0.2° |
| CAK | CAT | NAZ | CAW | 179.9° | 179.9° |
| CAT | CAK | H9 | H10 | 120.3° | 120.0° |
| CAT | CAK | CAJ | H11 | 65.5° | 60.0° |
| CAT | CAK | CAJ | H12 | 56.1° | 60.0° |
| NAO | CAT | NAZ | CAC | 179.4° | 179.9° |
| NAO | CAT | NAZ | CAW | 0.7° | 0.4° |
| CAT | NAO | CAX | CAW | 0.1° | 0.2° |
| CAT | NAO | CAX | CAV | 179.7° | 179.8° |
| NAO | CAT | CAK | H9 | 163.2° | 150.0° |
| NAO | CAT | CAK | H10 | 76.5° | 30.1° |
| NAZ | CAT | NAO | CAX | 0.3° | 0.4° |
| CAT | NAZ | CAC | CAW | 179.9° | 179.7° |
| CAT | NAZ | CAW | CAX | 0.7° | 0.2° |
| CAT | NAZ | CAW | CAH | 179.4° | 179.8° |
| CAT | NAZ | CAC | H1 | 180.0° | 90.3° |
| CAT | NAZ | CAC | H2 | 60.0° | 29.7° |
| CAT | NAZ | CAC | H3 | 60.0° | 149.8° |
| NAZ | CAT | CAK | H9 | 15.9° | 29.6° |
| NAZ | CAT | CAK | H10 | 104.3° | 149.5° |
| NAO | CAX | CAW | NAZ | 0.5° | 0.0° |
| NAO | CAX | CAW | CAV | 179.6° | 180.0° |
| NAO | CAX | CAV | CAF | 0.0° | 0.0° |
| NAO | CAX | CAW | CAH | 179.5° | 180.0° |
| NAO | CAX | CAV | CAU | 178.7° | 180.0° |
| CAC | NAZ | CAW | CAX | 179.4° | 180.0° |
| CAC | NAZ | CAW | CAH | 0.6° | 0.0° |
| NAZ | CAC | H1 | H2 | 120.0° | 120.0° |
| NAZ | CAC | H1 | H3 | 120.0° | 120.0° |
| NAZ | CAC | H2 | H3 | 120.0° | 120.0° |
| NAZ | CAW | CAX | CAH | 179.9° | 180.0° |
| NAZ | CAW | CAX | CAV | 179.9° | 180.0° |
| NAZ | CAW | CAH | CAG | 179.7° | 180.0° |
| CAW | NAZ | CAC | H1 | 0.0° | 90.0° |
| CAW | NAZ | CAC | H2 | 120.1° | 150.0° |
| CAW | NAZ | CAC | H3 | 119.9° | 30.0° |
| NAZ | CAW | CAH | H4 | 0.4° | 0.0° |
| CAW | CAX | CAV | CAF | 179.5° | 180.0° |
| CAW | CAX | CAV | CAU | 0.9° | 0.0° |
| CAX | CAW | CAH | CAG | 0.4° | 0.0° |
| CAX | CAW | CAH | H4 | 179.6° | 180.0° |
| CAX | CAV | CAF | CAU | 178.6° | 180.0° |
| CAX | CAV | CAF | CAD | 179.1° | 180.0° |
| CAV | CAX | CAW | CAH | 0.1° | 0.0° |
| CAX | CAV | CAU | CAG | 1.2° | 0.0° |
| CAX | CAV | CAU | NAM | 179.7° | 179.9° |
| CAX | CAV | CAF | H8 | 0.9° | 0.1° |
| CAV | CAF | CAD | H8 | 180.0° | 179.9° |
| CAV | CAF | CAD | CAE | 0.9° | 0.0° |
| CAF | CAV | CAU | CAG | 179.9° | 180.0° |
| CAF | CAV | CAU | NAM | 1.0° | 0.0° |
| CAV | CAF | CAD | H7 | 179.1° | 180.0° |
| CAD | CAF | CAV | CAU | 0.5° | 0.0° |
| CAF | CAD | CAE | H7 | 180.0° | 179.9° |
| CAF | CAD | CAE | NAM | 1.8° | 0.0° |
| CAF | CAD | CAE | H6 | 178.2° | 180.0° |
| CAW | CAH | CAG | H4 | 180.0° | 180.0° |
| CAW | CAH | CAG | CAU | 0.0° | 0.1° |
| CAW | CAH | CAG | H5 | 180.0° | 180.0° |
| CAV | CAU | CAG | CAH | 0.8° | 0.1° |
| CAV | CAU | CAG | NAM | 179.1° | 179.9° |
| CAV | CAU | NAM | CAE | 0.1° | 0.0° |
| CAV | CAU | CAG | H5 | 179.2° | 180.0° |
| CAU | CAV | CAF | H8 | 179.5° | 180.0° |
| CAD | CAE | NAM | CAU | 1.3° | 0.0° |
| CAD | CAE | NAM | H6 | 180.0° | 180.0° |
| CAE | CAD | CAF | H8 | 179.1° | 180.0° |
| CAH | CAG | CAU | H5 | 180.0° | 179.9° |
| CAH | CAG | CAU | NAM | 179.9° | 180.0° |
| CAG | CAU | NAM | CAE | 179.2° | 180.0° |
| CAU | CAG | CAH | H4 | 179.9° | 180.0° |
| NAM | CAU | CAG | H5 | 0.1° | 0.1° |
| CAU | NAM | CAE | H6 | 178.7° | 180.0° |
| NAM | CAE | CAD | H7 | 178.2° | 180.0° |
| H1 | CAC | H2 | H3 | 120.0° | 119.9° |
| H4 | CAH | CAG | H5 | 0.0° | 0.0° |
| H6 | CAE | CAD | H7 | 1.8° | 0.1° |
| H7 | CAD | CAF | H8 | 0.9° | 0.1° |
| H9 | CAK | CAJ | H11 | 174.6° | 180.0° |
| H9 | CAK | CAJ | H12 | 63.8° | 60.0° |
| H10 | CAK | CAJ | H11 | 54.3° | 60.1° |
| H10 | CAK | CAJ | H12 | 176.0° | 180.0° |
| H13 | CAA | H14 | H15 | 120.0° | 120.0° |
| H16 | CAB | H17 | H18 | 120.0° | 120.0° |
