5V9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAK | sing | 1.53Å | 1.49Å | |
| CAI | CAH | sing | 1.53Å | 1.49Å | |
| CAK | CAS | sing | 1.53Å | 1.49Å | |
| CAH | CAJ | sing | 1.53Å | 1.48Å | |
| CAS | NAN | sing | 1.47Å | 1.48Å | |
| CAS | CAL | sing | 1.53Å | 1.49Å | |
| CAM | CAP | sing | 1.51Å | 1.46Å | |
| CAM | NAN | sing | 1.47Å | 1.46Å | |
| CAJ | CAL | sing | 1.53Å | 1.50Å | |
| CAD | CAP | doub | 1.38Å | 1.42Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.43Å | Aromatic |
| CAQ | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAR | sing | 1.48Å | 1.49Å | |
| CAB | CAR | sing | 1.39Å | 1.50Å | Aromatic |
| CAB | CAA | doub | 1.33Å | 1.42Å | Aromatic |
| CAR | CAG | doub | 1.35Å | 1.40Å | Aromatic |
| CAA | SAO | sing | 1.76Å | 1.58Å | Aromatic |
| CAG | SAO | sing | 1.76Å | 1.62Å | Aromatic |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| NAN | H12 | sing | 1.01Å | 1.00Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAD | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAC | H18 | sing | 1.08Å | 1.08Å | |
| CAE | H19 | sing | 1.08Å | 1.08Å | |
| CAB | H20 | sing | 1.08Å | 1.08Å | |
| CAA | H21 | sing | 1.08Å | 1.08Å | |
| CAG | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAI | CAH | 111.9° | 109.5° |
| CAI | CAK | CAS | 114.1° | 109.4° |
| CAI | CAK | H1 | 108.3° | 109.5° |
| CAI | CAK | H2 | 108.3° | 109.4° |
| CAK | CAI | H3 | 108.9° | 109.4° |
| CAK | CAI | H4 | 108.9° | 109.4° |
| CAI | CAH | CAJ | 111.2° | 109.4° |
| CAH | CAI | H3 | 108.9° | 109.5° |
| CAH | CAI | H4 | 108.9° | 109.5° |
| CAI | CAH | H5 | 109.1° | 109.5° |
| CAI | CAH | H6 | 109.1° | 109.5° |
| CAK | CAS | NAN | 107.8° | 109.4° |
| CAK | CAS | CAL | 114.3° | 109.5° |
| CAS | CAK | H1 | 108.3° | 109.5° |
| CAS | CAK | H2 | 108.3° | 109.5° |
| CAK | CAS | H11 | 108.9° | 109.5° |
| CAH | CAJ | CAL | 112.5° | 109.4° |
| CAJ | CAH | H5 | 109.0° | 109.5° |
| CAJ | CAH | H6 | 109.0° | 109.4° |
| CAH | CAJ | H7 | 108.7° | 109.5° |
| CAH | CAJ | H8 | 108.7° | 109.5° |
| NAN | CAS | CAL | 107.8° | 109.4° |
| CAS | NAN | CAM | 109.3° | 111.0° |
| NAN | CAS | H11 | 109.0° | 109.5° |
| CAS | NAN | H12 | 109.5° | 111.0° |
| CAS | CAL | CAJ | 114.3° | 109.5° |
| CAS | CAL | H9 | 108.2° | 109.5° |
| CAS | CAL | H10 | 108.2° | 109.5° |
| CAL | CAS | H11 | 108.9° | 109.5° |
| CAP | CAM | NAN | 117.5° | 109.5° |
| CAM | CAP | CAD | 120.0° | 119.9° |
| CAM | CAP | CAC | 119.9° | 119.8° |
| CAP | CAM | H14 | 107.4° | 109.5° |
| CAP | CAM | H15 | 107.4° | 109.5° |
| CAM | NAN | H12 | 109.5° | 111.0° |
| NAN | CAM | H14 | 107.4° | 109.4° |
| NAN | CAM | H15 | 107.4° | 109.5° |
| CAL | CAJ | H7 | 108.7° | 109.5° |
| CAL | CAJ | H8 | 108.7° | 109.5° |
| CAJ | CAL | H9 | 108.2° | 109.5° |
| CAJ | CAL | H10 | 108.3° | 109.4° |
| CAP | CAD | CAF | 120.0° | 120.1° |
| CAD | CAP | CAC | 120.0° | 120.3° |
| CAP | CAD | H16 | 120.0° | 120.0° |
| CAD | CAF | CAQ | 119.8° | 119.8° |
| CAF | CAD | H16 | 120.0° | 119.9° |
| CAD | CAF | H17 | 120.1° | 120.1° |
| CAP | CAC | CAE | 119.8° | 120.1° |
| CAP | CAC | H18 | 120.1° | 120.0° |
| CAF | CAQ | CAE | 120.0° | 119.8° |
| CAF | CAQ | CAR | 120.3° | 120.1° |
| CAQ | CAF | H17 | 120.1° | 120.1° |
| CAC | CAE | CAQ | 120.4° | 119.9° |
| CAE | CAC | H18 | 120.1° | 120.0° |
| CAC | CAE | H19 | 119.8° | 120.1° |
| CAE | CAQ | CAR | 119.7° | 120.1° |
| CAQ | CAE | H19 | 119.8° | 120.1° |
| CAQ | CAR | CAB | 124.6° | 122.8° |
| CAQ | CAR | CAG | 125.4° | 122.8° |
| CAR | CAB | CAA | 109.9° | 114.9° |
| CAB | CAR | CAG | 110.0° | 114.4° |
| CAR | CAB | H20 | 125.1° | 122.5° |
| CAB | CAA | SAO | 109.7° | 109.9° |
| CAA | CAB | H20 | 125.1° | 122.6° |
| CAB | CAA | H21 | 125.1° | 125.0° |
| CAR | CAG | SAO | 109.7° | 109.6° |
| CAR | CAG | H22 | 125.1° | 125.2° |
| CAA | SAO | CAG | 100.7° | 91.2° |
| SAO | CAA | H21 | 125.1° | 125.1° |
| SAO | CAG | H22 | 125.1° | 125.2° |
| H1 | CAK | H2 | 109.4° | 109.5° |
| H3 | CAI | H4 | 109.5° | 109.5° |
| H5 | CAH | H6 | 109.4° | 109.5° |
| H7 | CAJ | H8 | 109.4° | 109.5° |
| H9 | CAL | H10 | 109.5° | 109.5° |
| H14 | CAM | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAI | CAH | H3 | 120.3° | 120.0° |
| CAK | CAI | CAH | H4 | 120.3° | 120.0° |
| CAI | CAK | CAS | H1 | 120.7° | 120.0° |
| CAI | CAK | CAS | H2 | 120.7° | 119.9° |
| CAK | CAI | CAH | CAJ | 56.4° | 60.0° |
| CAI | CAK | CAS | NAN | 163.3° | 180.0° |
| CAI | CAK | CAS | CAL | 43.5° | 60.0° |
| CAI | CAK | H1 | H2 | 117.9° | 120.0° |
| CAK | CAI | H3 | H4 | 118.9° | 119.9° |
| CAK | CAI | CAH | H5 | 63.9° | 60.0° |
| CAK | CAI | CAH | H6 | 176.6° | 180.0° |
| CAI | CAK | CAS | H11 | 78.6° | 60.1° |
| CAH | CAI | CAK | CAS | 50.5° | 60.0° |
| CAI | CAH | CAJ | H5 | 120.3° | 120.0° |
| CAI | CAH | CAJ | H6 | 120.3° | 120.0° |
| CAI | CAH | CAJ | CAL | 55.3° | 60.0° |
| CAH | CAI | CAK | H1 | 171.2° | 180.0° |
| CAH | CAI | CAK | H2 | 70.1° | 60.0° |
| CAH | CAI | H3 | H4 | 118.9° | 120.1° |
| CAI | CAH | H5 | H6 | 119.2° | 120.0° |
| CAI | CAH | CAJ | H7 | 175.8° | 180.0° |
| CAI | CAH | CAJ | H8 | 65.1° | 60.0° |
| CAK | CAS | NAN | CAL | 123.9° | 120.0° |
| CAK | CAS | NAN | H11 | 118.0° | 120.0° |
| CAK | CAS | CAL | H11 | 122.1° | 120.0° |
| CAK | CAS | NAN | CAM | 76.8° | 155.0° |
| CAK | CAS | CAL | CAJ | 42.3° | 60.1° |
| CAS | CAK | H1 | H2 | 117.9° | 120.0° |
| CAS | CAK | CAI | H3 | 170.9° | 180.0° |
| CAS | CAK | CAI | H4 | 69.8° | 60.1° |
| CAK | CAS | CAL | H9 | 163.0° | 60.0° |
| CAK | CAS | CAL | H10 | 78.4° | 180.0° |
| CAK | CAS | NAN | H12 | 43.1° | 31.1° |
| CAH | CAJ | CAL | CAS | 48.6° | 60.0° |
| CAH | CAJ | CAL | H7 | 120.5° | 120.0° |
| CAH | CAJ | CAL | H8 | 120.5° | 120.0° |
| CAJ | CAH | CAI | H3 | 176.7° | 180.0° |
| CAJ | CAH | CAI | H4 | 64.0° | 60.0° |
| CAJ | CAH | H5 | H6 | 119.2° | 120.0° |
| CAH | CAJ | H7 | H8 | 118.6° | 120.0° |
| CAH | CAJ | CAL | H9 | 169.2° | 60.0° |
| CAH | CAJ | CAL | H10 | 72.1° | 180.0° |
| NAN | CAS | CAL | H11 | 118.1° | 120.0° |
| CAS | NAN | CAM | CAP | 162.5° | 180.0° |
| CAS | NAN | CAM | H12 | 120.0° | 124.0° |
| NAN | CAS | CAL | CAJ | 162.1° | 180.0° |
| NAN | CAS | CAK | H1 | 76.0° | 60.0° |
| NAN | CAS | CAK | H2 | 42.6° | 60.0° |
| NAN | CAS | CAL | H9 | 77.2° | 60.0° |
| NAN | CAS | CAL | H10 | 41.4° | 60.1° |
| CAS | NAN | CAM | H14 | 76.4° | 60.0° |
| CAS | NAN | CAM | H15 | 41.3° | 60.0° |
| CAL | CAS | NAN | CAM | 159.3° | 85.0° |
| CAS | CAL | CAJ | H9 | 120.7° | 120.1° |
| CAS | CAL | CAJ | H10 | 120.7° | 120.0° |
| CAL | CAS | CAK | H1 | 164.2° | 180.0° |
| CAL | CAS | CAK | H2 | 77.2° | 59.9° |
| CAS | CAL | CAJ | H7 | 169.0° | 180.0° |
| CAS | CAL | CAJ | H8 | 71.9° | 59.9° |
| CAS | CAL | H9 | H10 | 117.8° | 120.1° |
| CAL | CAS | NAN | H12 | 80.8° | 151.1° |
| CAP | CAM | NAN | H14 | 121.1° | 120.0° |
| CAP | CAM | NAN | H15 | 121.2° | 120.0° |
| CAM | CAP | CAD | CAC | 179.7° | 179.8° |
| CAM | CAP | CAD | CAF | 179.6° | 180.0° |
| CAM | CAP | CAC | CAE | 179.6° | 180.0° |
| CAP | CAM | NAN | H12 | 77.6° | 56.0° |
| CAP | CAM | H14 | H15 | 116.3° | 120.0° |
| CAM | CAP | CAD | H16 | 0.4° | 0.0° |
| CAM | CAP | CAC | H18 | 0.4° | 0.0° |
| NAN | CAM | CAP | CAD | 121.7° | 89.8° |
| NAN | CAM | CAP | CAC | 57.9° | 90.0° |
| CAM | NAN | CAS | H11 | 41.2° | 35.0° |
| NAN | CAM | H14 | H15 | 116.4° | 120.0° |
| CAL | CAJ | CAH | H5 | 64.9° | 60.0° |
| CAL | CAJ | CAH | H6 | 175.6° | 180.0° |
| CAL | CAJ | H7 | H8 | 118.6° | 120.0° |
| CAJ | CAL | H9 | H10 | 117.8° | 119.9° |
| CAJ | CAL | CAS | H11 | 79.8° | 60.0° |
| CAP | CAD | CAF | H16 | 180.0° | 180.0° |
| CAP | CAD | CAF | CAQ | 0.1° | 0.0° |
| CAD | CAP | CAC | CAE | 0.0° | 0.2° |
| CAD | CAP | CAM | H14 | 117.1° | 150.3° |
| CAD | CAP | CAM | H15 | 0.6° | 30.3° |
| CAP | CAD | CAF | H17 | 179.9° | 180.0° |
| CAD | CAP | CAC | H18 | 180.0° | 179.7° |
| CAF | CAD | CAP | CAC | 0.1° | 0.2° |
| CAD | CAF | CAQ | H17 | 180.0° | 180.0° |
| CAD | CAF | CAQ | CAE | 0.2° | 0.3° |
| CAD | CAF | CAQ | CAR | 179.5° | 179.9° |
| CAP | CAC | CAE | H18 | 180.0° | 179.9° |
| CAP | CAC | CAE | CAQ | 0.1° | 0.0° |
| CAC | CAP | CAM | H14 | 63.2° | 29.9° |
| CAC | CAP | CAM | H15 | 179.1° | 149.9° |
| CAC | CAP | CAD | H16 | 179.9° | 179.8° |
| CAP | CAC | CAE | H19 | 179.9° | 179.9° |
| CAF | CAQ | CAE | CAC | 0.2° | 0.3° |
| CAF | CAQ | CAE | CAR | 179.3° | 179.8° |
| CAF | CAQ | CAR | CAB | 68.6° | 179.7° |
| CAF | CAQ | CAR | CAG | 112.3° | 0.0° |
| CAQ | CAF | CAD | H16 | 179.8° | 180.0° |
| CAF | CAQ | CAE | H19 | 179.9° | 179.7° |
| CAC | CAE | CAQ | H19 | 180.0° | 180.0° |
| CAC | CAE | CAQ | CAR | 179.5° | 179.9° |
| CAE | CAQ | CAR | CAB | 112.1° | 0.5° |
| CAE | CAQ | CAR | CAG | 67.0° | 179.8° |
| CAE | CAQ | CAF | H17 | 179.8° | 179.7° |
| CAQ | CAE | CAC | H18 | 179.9° | 180.0° |
| CAQ | CAR | CAB | CAG | 179.3° | 179.7° |
| CAQ | CAR | CAB | CAA | 179.7° | 180.0° |
| CAQ | CAR | CAG | SAO | 179.6° | 179.9° |
| CAR | CAQ | CAF | H17 | 0.5° | 0.1° |
| CAR | CAQ | CAE | H19 | 0.6° | 0.1° |
| CAQ | CAR | CAB | H20 | 0.3° | 0.0° |
| CAQ | CAR | CAG | H22 | 0.4° | 0.0° |
| CAR | CAB | CAA | H20 | 180.0° | 180.0° |
| CAR | CAB | CAA | SAO | 0.3° | 0.0° |
| CAB | CAR | CAG | SAO | 0.4° | 0.3° |
| CAR | CAB | CAA | H21 | 179.7° | 180.0° |
| CAB | CAR | CAG | H22 | 179.6° | 179.8° |
| CAA | CAB | CAR | CAG | 0.4° | 0.2° |
| CAB | CAA | SAO | H21 | 180.0° | 180.0° |
| CAB | CAA | SAO | CAG | 0.1° | 0.2° |
| CAR | CAG | SAO | CAA | 0.2° | 0.3° |
| CAR | CAG | SAO | H22 | 180.0° | 179.9° |
| CAG | CAR | CAB | H20 | 179.5° | 179.8° |
| SAO | CAA | CAB | H20 | 179.7° | 180.0° |
| CAA | SAO | CAG | H22 | 179.8° | 179.8° |
| CAG | SAO | CAA | H21 | 179.9° | 179.9° |
| H1 | CAK | CAI | H3 | 68.4° | 59.9° |
| H1 | CAK | CAI | H4 | 50.9° | 60.0° |
| H1 | CAK | CAS | H11 | 42.1° | 60.0° |
| H2 | CAK | CAI | H3 | 50.2° | 60.1° |
| H2 | CAK | CAI | H4 | 169.5° | 180.0° |
| H2 | CAK | CAS | H11 | 160.7° | 180.0° |
| H3 | CAI | CAH | H5 | 56.4° | 60.0° |
| H3 | CAI | CAH | H6 | 63.0° | 60.1° |
| H4 | CAI | CAH | H5 | 175.8° | 180.0° |
| H4 | CAI | CAH | H6 | 56.3° | 60.0° |
| H5 | CAH | CAJ | H7 | 55.5° | 60.0° |
| H5 | CAH | CAJ | H8 | 174.6° | 180.0° |
| H6 | CAH | CAJ | H7 | 63.9° | 60.0° |
| H6 | CAH | CAJ | H8 | 55.1° | 60.0° |
| H7 | CAJ | CAL | H9 | 70.3° | 59.9° |
| H7 | CAJ | CAL | H10 | 48.4° | 60.0° |
| H8 | CAJ | CAL | H9 | 48.8° | 180.0° |
| H8 | CAJ | CAL | H10 | 167.4° | 60.1° |
| H9 | CAL | CAS | H11 | 40.9° | 180.0° |
| H10 | CAL | CAS | H11 | 159.5° | 59.9° |
| H11 | CAS | NAN | H12 | 161.1° | 88.9° |
| H12 | NAN | CAM | H14 | 43.6° | 176.0° |
| H12 | NAN | CAM | H15 | 161.3° | 64.0° |
| H16 | CAD | CAF | H17 | 0.2° | 0.0° |
| H18 | CAC | CAE | H19 | 0.1° | 0.0° |
| H20 | CAB | CAA | H21 | 0.3° | 0.0° |
