49K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAE | CAD | sing | 1.47Å | 1.47Å | |
| CAD | CAC | sing | 1.53Å | 1.54Å | |
| FAP | CAO | sing | 1.35Å | 1.37Å | |
| CAN | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | NAB | sing | 1.47Å | 1.51Å | |
| CAO | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAA | NAB | sing | 1.47Å | 1.49Å | |
| NAB | CAF | sing | 1.47Å | 1.49Å | |
| CAF | CAG | sing | 1.51Å | 1.56Å | |
| CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | CAK | sing | 1.48Å | 1.35Å | |
| CAG | CAK | doub | 1.37Å | 1.34Å | Aromatic |
| CAG | CAH | sing | 1.40Å | 1.34Å | Aromatic |
| CAK | NAJ | sing | 1.36Å | 1.33Å | Aromatic |
| CAH | NAI | doub | 1.31Å | 1.33Å | Aromatic |
| NAJ | NAI | sing | 1.40Å | 1.32Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| CAQ | H3 | sing | 1.08Å | 1.08Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| NAJ | H5 | sing | 0.97Å | 1.00Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAD | H15 | sing | 1.09Å | 1.10Å | |
| CAD | H16 | sing | 1.09Å | 1.10Å | |
| NAE | H17 | sing | 1.01Å | 1.00Å | |
| NAE | H18 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAE | CAD | CAC | 113.5° | 109.5° |
| NAE | CAD | H15 | 108.5° | 109.4° |
| NAE | CAD | H16 | 108.5° | 109.4° |
| CAD | NAE | H17 | 109.5° | 111.0° |
| CAD | NAE | H18 | 109.5° | 111.0° |
| CAD | CAC | NAB | 114.7° | 109.5° |
| CAD | CAC | H13 | 108.2° | 109.5° |
| CAD | CAC | H14 | 108.1° | 109.5° |
| CAC | CAD | H15 | 108.5° | 109.5° |
| CAC | CAD | H16 | 108.4° | 109.5° |
| FAP | CAO | CAN | 118.9° | 119.8° |
| FAP | CAO | CAQ | 120.9° | 119.9° |
| CAO | CAN | CAM | 119.1° | 120.1° |
| CAN | CAO | CAQ | 120.2° | 120.2° |
| CAO | CAN | H2 | 120.4° | 120.0° |
| CAN | CAM | CAL | 121.5° | 119.9° |
| CAN | CAM | H1 | 119.2° | 120.0° |
| CAM | CAN | H2 | 120.4° | 119.9° |
| CAC | NAB | CAA | 113.1° | 111.0° |
| CAC | NAB | CAF | 114.6° | 111.0° |
| NAB | CAC | H13 | 108.1° | 109.4° |
| NAB | CAC | H14 | 108.2° | 109.5° |
| CAO | CAQ | CAR | 120.3° | 120.1° |
| CAO | CAQ | H3 | 119.8° | 119.9° |
| CAM | CAL | CAR | 118.5° | 119.8° |
| CAM | CAL | CAK | 119.5° | 120.1° |
| CAL | CAM | H1 | 119.2° | 120.1° |
| CAA | NAB | CAF | 112.9° | 111.0° |
| NAB | CAA | H10 | 109.5° | 109.5° |
| NAB | CAA | H11 | 109.5° | 109.4° |
| NAB | CAA | H12 | 109.5° | 109.4° |
| NAB | CAF | CAG | 112.4° | 109.4° |
| NAB | CAF | H7 | 108.7° | 109.5° |
| NAB | CAF | H8 | 108.7° | 109.5° |
| CAF | CAG | CAK | 128.0° | 126.1° |
| CAF | CAG | CAH | 124.1° | 126.1° |
| CAG | CAF | H7 | 108.7° | 109.5° |
| CAG | CAF | H8 | 108.7° | 109.5° |
| CAQ | CAR | CAL | 120.3° | 119.9° |
| CAR | CAQ | H3 | 119.9° | 120.0° |
| CAQ | CAR | H4 | 119.8° | 120.0° |
| CAR | CAL | CAK | 121.9° | 120.1° |
| CAL | CAR | H4 | 119.9° | 120.1° |
| CAL | CAK | CAG | 129.6° | 126.3° |
| CAL | CAK | NAJ | 122.6° | 126.4° |
| CAK | CAG | CAH | 107.9° | 107.9° |
| CAG | CAK | NAJ | 107.8° | 107.3° |
| CAG | CAH | NAI | 106.8° | 108.6° |
| CAG | CAH | H6 | 126.6° | 125.7° |
| CAK | NAJ | NAI | 108.0° | 107.7° |
| CAK | NAJ | H5 | 126.0° | 126.1° |
| CAH | NAI | NAJ | 109.4° | 108.5° |
| NAI | CAH | H6 | 126.6° | 125.7° |
| NAI | NAJ | H5 | 126.0° | 126.1° |
| H7 | CAF | H8 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.5° | 109.5° |
| H10 | CAA | H12 | 109.4° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
| H13 | CAC | H14 | 109.5° | 109.5° |
| H15 | CAD | H16 | 109.5° | 109.5° |
| H17 | NAE | H18 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAE | CAD | CAC | H15 | 120.6° | 120.0° |
| NAE | CAD | CAC | H16 | 120.6° | 119.9° |
| NAE | CAD | CAC | NAB | 167.6° | 180.0° |
| NAE | CAD | CAC | H13 | 71.7° | 60.0° |
| NAE | CAD | CAC | H14 | 46.8° | 60.0° |
| NAE | CAD | H15 | H16 | 118.2° | 120.0° |
| CAD | NAE | H17 | H18 | 120.0° | 124.0° |
| CAD | CAC | NAB | H13 | 120.8° | 120.0° |
| CAD | CAC | NAB | H14 | 120.8° | 120.0° |
| CAD | CAC | NAB | CAA | 69.4° | 66.1° |
| CAD | CAC | NAB | CAF | 61.9° | 170.0° |
| CAD | CAC | H13 | H14 | 117.6° | 120.0° |
| CAC | CAD | H15 | H16 | 118.1° | 120.0° |
| CAC | CAD | NAE | H17 | 180.0° | 56.0° |
| CAC | CAD | NAE | H18 | 60.0° | 180.0° |
| FAP | CAO | CAN | CAQ | 179.2° | 180.0° |
| FAP | CAO | CAN | CAM | 179.0° | 180.0° |
| FAP | CAO | CAQ | CAR | 178.8° | 179.9° |
| FAP | CAO | CAN | H2 | 1.0° | 0.0° |
| FAP | CAO | CAQ | H3 | 1.2° | 0.0° |
| CAO | CAN | CAM | H2 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 1.3° | 0.0° |
| CAN | CAO | CAQ | CAR | 0.3° | 0.0° |
| CAO | CAN | CAM | H1 | 178.7° | 179.7° |
| CAN | CAO | CAQ | H3 | 179.6° | 180.0° |
| CAM | CAN | CAO | CAQ | 0.2° | 0.0° |
| CAN | CAM | CAL | H1 | 180.0° | 179.7° |
| CAN | CAM | CAL | CAR | 2.6° | 0.1° |
| CAN | CAM | CAL | CAK | 178.8° | 179.7° |
| CAC | NAB | CAA | CAF | 132.2° | 123.9° |
| CAC | NAB | CAF | CAG | 163.8° | 170.0° |
| CAC | NAB | CAF | H7 | 43.3° | 70.0° |
| CAC | NAB | CAF | H8 | 75.8° | 50.0° |
| CAC | NAB | CAA | H10 | 180.0° | 64.0° |
| CAC | NAB | CAA | H11 | 60.0° | 56.0° |
| CAC | NAB | CAA | H12 | 60.0° | 176.0° |
| NAB | CAC | H13 | H14 | 117.6° | 120.0° |
| NAB | CAC | CAD | H15 | 47.0° | 60.0° |
| NAB | CAC | CAD | H16 | 71.8° | 60.1° |
| CAO | CAQ | CAR | H3 | 180.0° | 180.0° |
| CAO | CAQ | CAR | CAL | 1.6° | 0.1° |
| CAQ | CAO | CAN | H2 | 179.8° | 180.0° |
| CAO | CAQ | CAR | H4 | 178.4° | 180.0° |
| CAM | CAL | CAR | CAQ | 2.7° | 0.1° |
| CAM | CAL | CAR | CAK | 176.2° | 179.8° |
| CAM | CAL | CAK | CAG | 50.7° | 135.3° |
| CAM | CAL | CAK | NAJ | 126.7° | 45.0° |
| CAL | CAM | CAN | H2 | 178.7° | 180.0° |
| CAM | CAL | CAR | H4 | 177.3° | 180.0° |
| CAA | NAB | CAF | CAG | 64.8° | 66.1° |
| CAA | NAB | CAF | H7 | 174.8° | 53.9° |
| CAA | NAB | CAF | H8 | 55.6° | 174.0° |
| NAB | CAA | H10 | H11 | 120.0° | 120.0° |
| NAB | CAA | H10 | H12 | 120.0° | 120.0° |
| NAB | CAA | H11 | H12 | 120.0° | 120.0° |
| CAA | NAB | CAC | H13 | 51.3° | 53.9° |
| CAA | NAB | CAC | H14 | 169.8° | 174.0° |
| NAB | CAF | CAG | H7 | 120.4° | 120.0° |
| NAB | CAF | CAG | H8 | 120.4° | 120.0° |
| NAB | CAF | CAG | CAK | 100.7° | 80.0° |
| NAB | CAF | CAG | CAH | 79.1° | 100.0° |
| NAB | CAF | H7 | H8 | 118.6° | 120.0° |
| CAF | NAB | CAA | H10 | 47.8° | 60.0° |
| CAF | NAB | CAA | H11 | 72.2° | 180.0° |
| CAF | NAB | CAA | H12 | 167.8° | 60.1° |
| CAF | NAB | CAC | H13 | 177.4° | 70.0° |
| CAF | NAB | CAC | H14 | 58.9° | 50.0° |
| CAF | CAG | CAK | CAL | 2.3° | 0.1° |
| CAF | CAG | CAK | CAH | 179.8° | 180.0° |
| CAF | CAG | CAK | NAJ | 180.0° | 179.7° |
| CAF | CAG | CAH | NAI | 179.9° | 179.7° |
| CAF | CAG | CAH | H6 | 0.1° | 0.1° |
| CAG | CAF | H7 | H8 | 118.7° | 120.0° |
| CAQ | CAR | CAL | H4 | 180.0° | 179.9° |
| CAQ | CAR | CAL | CAK | 178.9° | 179.7° |
| CAR | CAL | CAK | CAG | 133.1° | 44.5° |
| CAR | CAL | CAK | NAJ | 49.5° | 135.3° |
| CAR | CAL | CAM | H1 | 177.4° | 179.7° |
| CAL | CAR | CAQ | H3 | 178.4° | 180.0° |
| CAL | CAK | CAG | NAJ | 177.7° | 179.8° |
| CAL | CAK | CAG | CAH | 177.9° | 179.9° |
| CAL | CAK | NAJ | NAI | 178.1° | 180.0° |
| CAK | CAL | CAM | H1 | 1.1° | 0.0° |
| CAK | CAL | CAR | H4 | 1.1° | 0.2° |
| CAL | CAK | NAJ | H5 | 1.9° | 0.1° |
| CAK | CAG | CAH | NAI | 0.1° | 0.3° |
| CAG | CAK | NAJ | NAI | 0.2° | 0.2° |
| CAG | CAK | NAJ | H5 | 179.8° | 179.8° |
| CAK | CAG | CAH | H6 | 179.9° | 179.9° |
| CAK | CAG | CAF | H7 | 138.9° | 160.0° |
| CAK | CAG | CAF | H8 | 19.8° | 39.9° |
| CAH | CAG | CAK | NAJ | 0.2° | 0.3° |
| CAG | CAH | NAI | H6 | 180.0° | 179.8° |
| CAG | CAH | NAI | NAJ | 0.0° | 0.2° |
| CAH | CAG | CAF | H7 | 41.3° | 20.0° |
| CAH | CAG | CAF | H8 | 160.5° | 140.1° |
| CAK | NAJ | NAI | CAH | 0.1° | 0.0° |
| CAK | NAJ | NAI | H5 | 180.0° | 180.0° |
| CAH | NAI | NAJ | H5 | 179.9° | 180.0° |
| NAJ | NAI | CAH | H6 | 180.0° | 180.0° |
| H1 | CAM | CAN | H2 | 1.3° | 0.3° |
| H3 | CAQ | CAR | H4 | 1.6° | 0.1° |
| H10 | CAA | H11 | H12 | 119.9° | 120.0° |
| H13 | CAC | CAD | H15 | 167.7° | 180.0° |
| H13 | CAC | CAD | H16 | 48.9° | 59.9° |
| H14 | CAC | CAD | H15 | 73.8° | 59.9° |
| H14 | CAC | CAD | H16 | 167.4° | 180.0° |
| H15 | CAD | NAE | H17 | 59.4° | 64.0° |
| H15 | CAD | NAE | H18 | 60.6° | 60.0° |
| H16 | CAD | NAE | H17 | 59.4° | 176.0° |
| H16 | CAD | NAE | H18 | 179.4° | 60.0° |
