4X8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAO | sing | 1.39Å | 1.42Å | Aromatic |
| CAD | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| NAC | CAO | sing | 1.40Å | 1.34Å | |
| CAO | CAS | doub | 1.39Å | 1.42Å | Aromatic |
| CAG | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAS | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAS | CAL | sing | 1.51Å | 1.44Å | |
| CAQ | CAI | sing | 1.51Å | 1.41Å | |
| CAL | NAT | sing | 1.47Å | 1.49Å | |
| CAI | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | NAT | sing | 1.47Å | 1.48Å | |
| NAT | CAK | sing | 1.47Å | 1.50Å | |
| CAK | CAR | sing | 1.51Å | 1.42Å | |
| CAA | CAP | sing | 1.51Å | 1.41Å | |
| CAR | CAP | doub | 1.38Å | 1.41Å | Aromatic |
| CAR | NAM | sing | 1.32Å | 1.35Å | Aromatic |
| CAP | CAN | sing | 1.40Å | 1.41Å | Aromatic |
| NAM | CAE | doub | 1.32Å | 1.41Å | Aromatic |
| CAN | NAB | sing | 1.39Å | 1.33Å | |
| CAN | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| NAC | H8 | sing | 0.97Å | 1.00Å | |
| NAC | H9 | sing | 0.97Å | 1.00Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAE | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| NAB | H17 | sing | 0.97Å | 1.00Å | |
| NAB | H18 | sing | 0.97Å | 1.00Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAF | CAO | 116.2° | 119.8° |
| CAF | CAD | CAG | 121.6° | 119.9° |
| CAF | CAD | H6 | 119.2° | 120.1° |
| CAD | CAF | H7 | 121.9° | 120.1° |
| CAF | CAO | NAC | 119.7° | 119.9° |
| CAF | CAO | CAS | 123.7° | 120.2° |
| CAO | CAF | H7 | 121.9° | 120.1° |
| CAD | CAG | CAQ | 121.3° | 120.5° |
| CAD | CAG | H5 | 119.4° | 119.8° |
| CAG | CAD | H6 | 119.2° | 120.0° |
| NAC | CAO | CAS | 116.5° | 119.8° |
| CAO | NAC | H8 | 109.5° | 119.9° |
| CAO | NAC | H9 | 109.4° | 120.0° |
| CAO | CAS | CAQ | 117.6° | 119.7° |
| CAO | CAS | CAL | 121.5° | 118.5° |
| CAG | CAQ | CAS | 119.5° | 119.9° |
| CAG | CAQ | CAI | 118.4° | 118.4° |
| CAQ | CAG | H5 | 119.4° | 119.8° |
| CAQ | CAS | CAL | 120.9° | 121.9° |
| CAS | CAQ | CAI | 122.1° | 121.6° |
| CAS | CAL | NAT | 115.3° | 110.5° |
| CAS | CAL | H10 | 108.0° | 109.3° |
| CAS | CAL | H11 | 108.0° | 109.3° |
| CAQ | CAI | CAJ | 112.8° | 110.0° |
| CAQ | CAI | H3 | 108.6° | 109.4° |
| CAQ | CAI | H4 | 108.6° | 109.3° |
| CAL | NAT | CAJ | 108.2° | 110.3° |
| CAL | NAT | CAK | 114.3° | 111.0° |
| NAT | CAL | H10 | 108.0° | 109.3° |
| NAT | CAL | H11 | 108.0° | 109.3° |
| CAI | CAJ | NAT | 112.1° | 108.5° |
| CAI | CAJ | H1 | 108.8° | 109.6° |
| CAI | CAJ | H2 | 108.8° | 109.8° |
| CAJ | CAI | H3 | 108.6° | 109.4° |
| CAJ | CAI | H4 | 108.6° | 109.4° |
| CAJ | NAT | CAK | 112.9° | 111.0° |
| NAT | CAJ | H1 | 108.8° | 109.6° |
| NAT | CAJ | H2 | 108.8° | 109.7° |
| NAT | CAK | CAR | 113.1° | 109.4° |
| NAT | CAK | H13 | 108.6° | 109.5° |
| NAT | CAK | H14 | 108.6° | 109.5° |
| CAK | CAR | CAP | 123.3° | 119.6° |
| CAK | CAR | NAM | 117.8° | 119.6° |
| CAR | CAK | H13 | 108.5° | 109.5° |
| CAR | CAK | H14 | 108.5° | 109.4° |
| CAA | CAP | CAR | 121.2° | 120.5° |
| CAA | CAP | CAN | 119.9° | 120.5° |
| CAP | CAA | H19 | 109.5° | 109.4° |
| CAP | CAA | H20 | 109.5° | 109.5° |
| CAP | CAA | H21 | 109.5° | 109.5° |
| CAP | CAR | NAM | 118.8° | 120.9° |
| CAR | CAP | CAN | 118.9° | 119.1° |
| CAR | NAM | CAE | 122.5° | 121.9° |
| CAP | CAN | NAB | 118.2° | 120.9° |
| CAP | CAN | CAH | 121.8° | 118.2° |
| NAM | CAE | CAH | 119.8° | 120.8° |
| NAM | CAE | H15 | 120.1° | 119.6° |
| NAB | CAN | CAH | 120.0° | 120.9° |
| CAN | NAB | H17 | 109.5° | 120.0° |
| CAN | NAB | H18 | 109.4° | 120.0° |
| CAN | CAH | CAE | 118.1° | 119.1° |
| CAN | CAH | H16 | 121.0° | 120.4° |
| CAH | CAE | H15 | 120.1° | 119.6° |
| CAE | CAH | H16 | 121.0° | 120.5° |
| H1 | CAJ | H2 | 109.5° | 109.7° |
| H3 | CAI | H4 | 109.5° | 109.4° |
| H8 | NAC | H9 | 109.5° | 120.1° |
| H10 | CAL | H11 | 109.5° | 109.2° |
| H13 | CAK | H14 | 109.5° | 109.5° |
| H17 | NAB | H18 | 109.4° | 120.0° |
| H19 | CAA | H20 | 109.4° | 109.5° |
| H19 | CAA | H21 | 109.5° | 109.5° |
| H20 | CAA | H21 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAF | CAO | H7 | 180.0° | 180.0° |
| CAF | CAD | CAG | H6 | 180.0° | 180.0° |
| CAD | CAF | CAO | NAC | 179.9° | 180.0° |
| CAD | CAF | CAO | CAS | 2.7° | 0.0° |
| CAF | CAD | CAG | CAQ | 0.7° | 0.0° |
| CAF | CAD | CAG | H5 | 179.3° | 180.0° |
| CAO | CAF | CAD | CAG | 1.5° | 0.1° |
| CAF | CAO | NAC | CAS | 177.4° | 180.0° |
| CAF | CAO | CAS | CAQ | 2.9° | 0.2° |
| CAF | CAO | CAS | CAL | 179.5° | 179.5° |
| CAO | CAF | CAD | H6 | 178.5° | 179.9° |
| CAF | CAO | NAC | H8 | 180.0° | 0.0° |
| CAF | CAO | NAC | H9 | 60.0° | 180.0° |
| CAD | CAG | CAQ | H5 | 180.0° | 180.0° |
| CAD | CAG | CAQ | CAS | 0.9° | 0.1° |
| CAD | CAG | CAQ | CAI | 179.7° | 179.8° |
| CAG | CAD | CAF | H7 | 178.5° | 179.9° |
| NAC | CAO | CAS | CAQ | 179.8° | 179.8° |
| NAC | CAO | CAS | CAL | 2.2° | 0.5° |
| NAC | CAO | CAF | H7 | 0.2° | 0.0° |
| CAO | NAC | H8 | H9 | 120.0° | 180.0° |
| CAO | CAS | CAQ | CAG | 1.9° | 0.2° |
| CAO | CAS | CAQ | CAL | 177.6° | 179.7° |
| CAO | CAS | CAQ | CAI | 179.3° | 179.7° |
| CAO | CAS | CAL | NAT | 164.8° | 162.7° |
| CAS | CAO | CAF | H7 | 177.3° | 180.0° |
| CAS | CAO | NAC | H8 | 2.6° | 180.0° |
| CAS | CAO | NAC | H9 | 117.4° | 0.0° |
| CAO | CAS | CAL | H10 | 44.0° | 42.4° |
| CAO | CAS | CAL | H11 | 74.4° | 77.1° |
| CAG | CAQ | CAS | CAI | 178.8° | 179.9° |
| CAG | CAQ | CAS | CAL | 179.5° | 179.4° |
| CAG | CAQ | CAI | CAJ | 165.5° | 163.0° |
| CAG | CAQ | CAI | H3 | 45.0° | 76.8° |
| CAG | CAQ | CAI | H4 | 74.0° | 42.9° |
| CAQ | CAG | CAD | H6 | 179.4° | 179.9° |
| CAQ | CAS | CAL | NAT | 17.7° | 17.6° |
| CAS | CAQ | CAI | CAJ | 15.7° | 17.1° |
| CAS | CAQ | CAI | H3 | 136.2° | 103.1° |
| CAS | CAQ | CAI | H4 | 104.8° | 137.2° |
| CAS | CAQ | CAG | H5 | 179.1° | 179.9° |
| CAQ | CAS | CAL | H10 | 138.5° | 137.9° |
| CAQ | CAS | CAL | H11 | 103.1° | 102.6° |
| CAL | CAS | CAQ | CAI | 1.7° | 0.6° |
| CAS | CAL | NAT | H10 | 120.8° | 120.3° |
| CAS | CAL | NAT | H11 | 120.8° | 120.3° |
| CAS | CAL | NAT | CAJ | 46.6° | 52.5° |
| CAS | CAL | NAT | CAK | 173.3° | 175.9° |
| CAS | CAL | H10 | H11 | 117.4° | 119.5° |
| CAQ | CAI | CAJ | H3 | 120.5° | 120.2° |
| CAQ | CAI | CAJ | H4 | 120.5° | 120.0° |
| CAQ | CAI | CAJ | NAT | 46.5° | 50.4° |
| CAQ | CAI | CAJ | H1 | 73.9° | 69.3° |
| CAQ | CAI | CAJ | H2 | 166.9° | 170.2° |
| CAQ | CAI | H3 | H4 | 118.5° | 119.7° |
| CAI | CAQ | CAG | H5 | 0.3° | 0.2° |
| CAL | NAT | CAJ | CAI | 61.2° | 71.2° |
| CAL | NAT | CAJ | CAK | 127.5° | 123.4° |
| CAL | NAT | CAK | CAR | 178.2° | 171.0° |
| CAL | NAT | CAJ | H1 | 59.2° | 48.5° |
| CAL | NAT | CAJ | H2 | 178.4° | 168.9° |
| NAT | CAL | H10 | H11 | 117.4° | 119.5° |
| CAL | NAT | CAK | H13 | 57.7° | 51.0° |
| CAL | NAT | CAK | H14 | 61.3° | 69.1° |
| CAI | CAJ | NAT | H1 | 120.4° | 119.7° |
| CAI | CAJ | NAT | H2 | 120.4° | 119.8° |
| CAI | CAJ | NAT | CAK | 171.2° | 165.4° |
| CAI | CAJ | H1 | H2 | 118.8° | 120.6° |
| CAJ | CAI | H3 | H4 | 118.5° | 119.8° |
| CAJ | NAT | CAK | CAR | 57.6° | 66.0° |
| NAT | CAJ | H1 | H2 | 118.8° | 120.5° |
| NAT | CAJ | CAI | H3 | 167.0° | 69.7° |
| NAT | CAJ | CAI | H4 | 74.0° | 170.5° |
| CAJ | NAT | CAL | H10 | 167.4° | 172.8° |
| CAJ | NAT | CAL | H11 | 74.3° | 67.7° |
| CAJ | NAT | CAK | H13 | 178.1° | 174.0° |
| CAJ | NAT | CAK | H14 | 62.9° | 53.9° |
| NAT | CAK | CAR | H13 | 120.5° | 120.0° |
| NAT | CAK | CAR | H14 | 120.5° | 120.0° |
| NAT | CAK | CAR | CAP | 111.0° | 90.1° |
| NAT | CAK | CAR | NAM | 68.6° | 89.8° |
| CAK | NAT | CAJ | H1 | 68.4° | 74.9° |
| CAK | NAT | CAJ | H2 | 50.8° | 45.5° |
| CAK | NAT | CAL | H10 | 65.9° | 63.8° |
| CAK | NAT | CAL | H11 | 52.4° | 55.7° |
| NAT | CAK | H13 | H14 | 118.4° | 120.1° |
| CAK | CAR | CAP | CAA | 0.6° | 0.1° |
| CAK | CAR | CAP | NAM | 179.6° | 179.8° |
| CAK | CAR | CAP | CAN | 179.2° | 179.7° |
| CAK | CAR | NAM | CAE | 178.9° | 180.0° |
| CAR | CAK | H13 | H14 | 118.3° | 120.0° |
| CAA | CAP | CAR | CAN | 179.8° | 179.8° |
| CAA | CAP | CAR | NAM | 179.9° | 179.8° |
| CAA | CAP | CAN | NAB | 0.6° | 0.0° |
| CAA | CAP | CAN | CAH | 180.0° | 179.7° |
| CAP | CAA | H19 | H20 | 120.0° | 120.0° |
| CAP | CAA | H19 | H21 | 120.0° | 120.0° |
| CAP | CAA | H20 | H21 | 120.0° | 120.0° |
| CAP | CAR | NAM | CAE | 0.7° | 0.2° |
| CAR | CAP | CAN | NAB | 179.6° | 179.8° |
| CAR | CAP | CAN | CAH | 0.2° | 0.5° |
| CAP | CAR | CAK | H13 | 128.5° | 29.9° |
| CAP | CAR | CAK | H14 | 9.5° | 150.0° |
| CAR | CAP | CAA | H19 | 89.9° | 90.0° |
| CAR | CAP | CAA | H20 | 150.1° | 150.0° |
| CAR | CAP | CAA | H21 | 30.1° | 29.9° |
| NAM | CAR | CAP | CAN | 0.3° | 0.5° |
| CAR | NAM | CAE | CAH | 0.9° | 0.0° |
| NAM | CAR | CAK | H13 | 52.0° | 150.3° |
| NAM | CAR | CAK | H14 | 170.9° | 30.2° |
| CAR | NAM | CAE | H15 | 179.1° | 180.0° |
| CAP | CAN | NAB | CAH | 179.4° | 179.7° |
| CAP | CAN | CAH | CAE | 0.4° | 0.3° |
| CAP | CAN | CAH | H16 | 179.6° | 179.8° |
| CAP | CAN | NAB | H17 | 180.0° | 179.7° |
| CAP | CAN | NAB | H18 | 60.0° | 0.3° |
| CAN | CAP | CAA | H19 | 89.9° | 89.7° |
| CAN | CAP | CAA | H20 | 30.1° | 30.2° |
| CAN | CAP | CAA | H21 | 150.1° | 150.3° |
| NAM | CAE | CAH | CAN | 0.7° | 0.0° |
| NAM | CAE | CAH | H15 | 180.0° | 180.0° |
| NAM | CAE | CAH | H16 | 179.3° | 179.9° |
| NAB | CAN | CAH | CAE | 179.8° | 180.0° |
| NAB | CAN | CAH | H16 | 0.3° | 0.1° |
| CAN | NAB | H17 | H18 | 120.0° | 180.0° |
| CAN | CAH | CAE | H16 | 180.0° | 179.9° |
| CAN | CAH | CAE | H15 | 179.3° | 180.0° |
| CAH | CAN | NAB | H17 | 0.6° | 0.0° |
| CAH | CAN | NAB | H18 | 119.3° | 179.9° |
| H1 | CAJ | CAI | H3 | 46.6° | 170.6° |
| H1 | CAJ | CAI | H4 | 165.6° | 50.8° |
| H2 | CAJ | CAI | H3 | 72.6° | 50.1° |
| H2 | CAJ | CAI | H4 | 46.4° | 69.7° |
| H5 | CAG | CAD | H6 | 0.6° | 0.1° |
| H6 | CAD | CAF | H7 | 1.5° | 0.1° |
| H15 | CAE | CAH | H16 | 0.7° | 0.1° |
| H19 | CAA | H20 | H21 | 120.0° | 120.0° |
