08J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | NAN | sing | 1.34Å | 1.33Å | Aromatic |
| CAJ | CAS | doub | 1.34Å | 1.33Å | Aromatic |
| NAN | CAR | doub | 1.31Å | 1.33Å | Aromatic |
| CAS | CAL | sing | 1.51Å | 1.53Å | |
| CAS | NAW | sing | 1.37Å | 1.34Å | Aromatic |
| CAR | CAA | sing | 1.51Å | 1.58Å | |
| CAR | NAW | sing | 1.36Å | 1.36Å | Aromatic |
| CAL | NAM | sing | 1.47Å | 1.46Å | |
| NAW | CAV | sing | 1.40Å | 1.35Å | |
| NAM | CAO | doub | 1.29Å | 1.35Å | |
| CAV | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAV | CAU | sing | 1.40Å | 1.44Å | Aromatic |
| FAB | CAQ | sing | 1.35Å | 1.35Å | |
| CAO | CAU | sing | 1.47Å | 1.43Å | |
| CAO | CAT | sing | 1.48Å | 1.42Å | |
| CAI | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAT | doub | 1.40Å | 1.42Å | Aromatic |
| CAQ | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAT | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | CAP | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CLAC | sing | 1.74Å | 1.73Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAI | H3 | sing | 1.08Å | 1.08Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAD | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAN | CAJ | CAS | 107.6° | 107.9° |
| CAJ | NAN | CAR | 109.0° | 109.4° |
| NAN | CAJ | H7 | 126.2° | 126.1° |
| CAJ | CAS | CAL | 125.8° | 127.5° |
| CAJ | CAS | NAW | 109.1° | 107.1° |
| CAS | CAJ | H7 | 126.2° | 126.0° |
| NAN | CAR | CAA | 121.6° | 125.8° |
| NAN | CAR | NAW | 107.4° | 108.3° |
| CAL | CAS | NAW | 125.1° | 125.4° |
| CAS | CAL | NAM | 106.8° | 107.6° |
| CAS | CAL | H8 | 110.4° | 109.8° |
| CAS | CAL | H9 | 110.4° | 109.8° |
| CAS | NAW | CAR | 106.9° | 107.2° |
| CAS | NAW | CAV | 123.0° | 125.5° |
| CAA | CAR | NAW | 131.0° | 125.8° |
| CAR | CAA | H4 | 109.5° | 109.5° |
| CAR | CAA | H5 | 109.5° | 109.5° |
| CAR | CAA | H6 | 109.5° | 109.5° |
| CAR | NAW | CAV | 129.9° | 127.3° |
| CAL | NAM | CAO | 127.3° | 121.8° |
| NAM | CAL | H8 | 110.4° | 109.9° |
| NAM | CAL | H9 | 110.4° | 109.8° |
| NAW | CAV | CAI | 112.6° | 118.2° |
| NAW | CAV | CAU | 126.2° | 121.8° |
| NAM | CAO | CAU | 119.8° | 128.0° |
| NAM | CAO | CAT | 113.1° | 116.0° |
| CAI | CAV | CAU | 121.1° | 120.0° |
| CAV | CAI | CAH | 119.0° | 120.5° |
| CAV | CAI | H3 | 120.5° | 119.8° |
| CAV | CAU | CAO | 124.8° | 123.3° |
| CAV | CAU | CAK | 119.2° | 118.8° |
| FAB | CAQ | CAT | 122.8° | 120.1° |
| FAB | CAQ | CAF | 115.9° | 120.1° |
| CAU | CAO | CAT | 126.4° | 116.1° |
| CAO | CAU | CAK | 116.0° | 117.9° |
| CAO | CAT | CAQ | 123.3° | 120.2° |
| CAO | CAT | CAG | 119.4° | 120.1° |
| CAI | CAH | CAP | 120.8° | 119.9° |
| CAI | CAH | H2 | 119.6° | 120.0° |
| CAH | CAI | H3 | 120.5° | 119.7° |
| CAU | CAK | CAP | 119.3° | 120.6° |
| CAU | CAK | H1 | 120.3° | 119.7° |
| CAT | CAQ | CAF | 121.3° | 119.8° |
| CAQ | CAT | CAG | 117.2° | 119.7° |
| CAQ | CAF | CAD | 120.2° | 120.1° |
| CAQ | CAF | H13 | 119.9° | 119.9° |
| CAT | CAG | CAE | 121.7° | 119.9° |
| CAT | CAG | H10 | 119.2° | 120.1° |
| CAF | CAD | CAE | 119.0° | 120.3° |
| CAF | CAD | H12 | 120.5° | 119.8° |
| CAD | CAF | H13 | 119.9° | 120.0° |
| CAG | CAE | CAD | 120.6° | 120.2° |
| CAE | CAG | H10 | 119.2° | 120.0° |
| CAG | CAE | H11 | 119.7° | 119.9° |
| CAH | CAP | CAK | 120.5° | 120.2° |
| CAH | CAP | CLAC | 116.4° | 119.9° |
| CAP | CAH | H2 | 119.6° | 120.0° |
| CAK | CAP | CLAC | 123.1° | 119.9° |
| CAP | CAK | H1 | 120.4° | 119.7° |
| CAD | CAE | H11 | 119.7° | 119.9° |
| CAE | CAD | H12 | 120.5° | 119.8° |
| H4 | CAA | H5 | 109.4° | 109.4° |
| H4 | CAA | H6 | 109.5° | 109.5° |
| H5 | CAA | H6 | 109.5° | 109.4° |
| H8 | CAL | H9 | 108.6° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAN | CAJ | CAS | H7 | 180.0° | 179.9° |
| NAN | CAJ | CAS | CAL | 178.1° | 178.4° |
| NAN | CAJ | CAS | NAW | 0.0° | 1.0° |
| CAJ | NAN | CAR | CAA | 177.9° | 178.8° |
| CAJ | NAN | CAR | NAW | 2.0° | 1.1° |
| CAS | CAJ | NAN | CAR | 1.3° | 0.0° |
| CAJ | CAS | CAL | NAW | 177.8° | 179.3° |
| CAJ | CAS | NAW | CAR | 1.2° | 1.7° |
| CAJ | CAS | CAL | NAM | 120.2° | 120.3° |
| CAJ | CAS | NAW | CAV | 177.4° | 176.9° |
| CAJ | CAS | CAL | H8 | 0.2° | 120.1° |
| CAJ | CAS | CAL | H9 | 119.7° | 0.8° |
| NAN | CAR | NAW | CAS | 2.0° | 1.7° |
| NAN | CAR | CAA | NAW | 179.9° | 179.9° |
| NAN | CAR | NAW | CAV | 177.8° | 176.8° |
| NAN | CAR | CAA | H4 | 0.0° | 95.8° |
| NAN | CAR | CAA | H5 | 120.0° | 24.2° |
| NAN | CAR | CAA | H6 | 120.0° | 144.2° |
| CAR | NAN | CAJ | H7 | 178.8° | 179.9° |
| CAL | CAS | NAW | CAR | 179.4° | 177.8° |
| CAS | CAL | NAM | H8 | 120.0° | 119.5° |
| CAS | CAL | NAM | H9 | 120.0° | 119.5° |
| CAL | CAS | NAW | CAV | 4.4° | 3.6° |
| CAS | CAL | NAM | CAO | 64.4° | 61.1° |
| CAL | CAS | CAJ | H7 | 1.8° | 1.5° |
| CAS | CAL | H8 | H9 | 121.0° | 120.9° |
| CAS | NAW | CAR | CAA | 178.0° | 178.2° |
| CAS | NAW | CAR | CAV | 175.9° | 178.6° |
| NAW | CAS | CAL | NAM | 57.6° | 59.0° |
| CAS | NAW | CAV | CAI | 137.0° | 142.6° |
| CAS | NAW | CAV | CAU | 39.8° | 35.8° |
| NAW | CAS | CAJ | H7 | 180.0° | 179.1° |
| NAW | CAS | CAL | H8 | 177.6° | 60.5° |
| NAW | CAS | CAL | H9 | 62.4° | 178.5° |
| CAA | CAR | NAW | CAV | 2.1° | 3.2° |
| CAR | CAA | H4 | H5 | 120.0° | 120.0° |
| CAR | CAA | H4 | H6 | 120.0° | 120.1° |
| CAR | CAA | H5 | H6 | 120.0° | 120.0° |
| CAR | NAW | CAV | CAI | 38.2° | 35.7° |
| CAR | NAW | CAV | CAU | 144.9° | 145.9° |
| NAW | CAR | CAA | H4 | 180.0° | 84.1° |
| NAW | CAR | CAA | H5 | 60.1° | 155.9° |
| NAW | CAR | CAA | H6 | 59.9° | 35.9° |
| CAL | NAM | CAO | CAU | 6.9° | 1.1° |
| CAL | NAM | CAO | CAT | 177.9° | 178.9° |
| NAM | CAL | H8 | H9 | 121.1° | 120.9° |
| NAW | CAV | CAI | CAU | 177.0° | 178.4° |
| NAW | CAV | CAU | CAO | 1.4° | 4.7° |
| NAW | CAV | CAI | CAH | 179.4° | 177.3° |
| NAW | CAV | CAU | CAK | 177.7° | 176.7° |
| NAW | CAV | CAI | H3 | 0.6° | 2.7° |
| NAM | CAO | CAU | CAV | 36.7° | 42.2° |
| NAM | CAO | CAU | CAT | 169.8° | 180.0° |
| NAM | CAO | CAU | CAK | 142.4° | 139.2° |
| NAM | CAO | CAT | CAQ | 45.1° | 114.3° |
| NAM | CAO | CAT | CAG | 131.9° | 65.4° |
| CAO | NAM | CAL | H8 | 175.6° | 58.5° |
| CAO | NAM | CAL | H9 | 55.6° | 179.4° |
| CAI | CAV | CAU | CAO | 178.0° | 177.0° |
| CAV | CAI | CAH | H3 | 180.0° | 180.0° |
| CAI | CAV | CAU | CAK | 1.1° | 1.6° |
| CAV | CAI | CAH | CAP | 2.5° | 0.0° |
| CAV | CAI | CAH | H2 | 177.5° | 179.9° |
| CAV | CAU | CAO | CAK | 179.1° | 178.6° |
| CAV | CAU | CAO | CAT | 133.1° | 137.8° |
| CAU | CAV | CAI | CAH | 2.4° | 1.1° |
| CAV | CAU | CAK | CAP | 0.1° | 1.0° |
| CAV | CAU | CAK | H1 | 179.9° | 178.9° |
| CAU | CAV | CAI | H3 | 177.6° | 178.9° |
| FAB | CAQ | CAT | CAO | 1.8° | 0.0° |
| FAB | CAQ | CAT | CAF | 179.6° | 179.8° |
| FAB | CAQ | CAT | CAG | 178.8° | 179.7° |
| FAB | CAQ | CAF | CAD | 179.6° | 179.7° |
| FAB | CAQ | CAF | H13 | 0.5° | 0.0° |
| CAU | CAO | CAT | CAQ | 144.6° | 65.6° |
| CAU | CAO | CAT | CAG | 38.5° | 114.6° |
| CAO | CAU | CAK | CAP | 179.3° | 177.6° |
| CAO | CAU | CAK | H1 | 0.7° | 2.4° |
| CAT | CAO | CAU | CAK | 47.8° | 40.8° |
| CAO | CAT | CAQ | CAG | 177.0° | 179.8° |
| CAO | CAT | CAQ | CAF | 178.6° | 179.7° |
| CAO | CAT | CAG | CAE | 178.7° | 180.0° |
| CAO | CAT | CAG | H10 | 1.3° | 0.0° |
| CAI | CAH | CAP | H2 | 180.0° | 179.9° |
| CAI | CAH | CAP | CAK | 1.3° | 0.6° |
| CAI | CAH | CAP | CLAC | 179.5° | 179.4° |
| CAU | CAK | CAP | CAH | 0.0° | 0.1° |
| CAU | CAK | CAP | H1 | 180.0° | 180.0° |
| CAU | CAK | CAP | CLAC | 179.1° | 180.0° |
| CAT | CAQ | CAF | CAD | 0.8° | 0.5° |
| CAQ | CAT | CAG | CAE | 1.6° | 0.2° |
| CAQ | CAT | CAG | H10 | 178.4° | 179.8° |
| CAT | CAQ | CAF | H13 | 179.2° | 179.7° |
| CAF | CAQ | CAT | CAG | 1.6° | 0.5° |
| CAQ | CAF | CAD | H13 | 180.0° | 179.8° |
| CAQ | CAF | CAD | CAE | 0.1° | 0.3° |
| CAQ | CAF | CAD | H12 | 179.9° | 179.7° |
| CAT | CAG | CAE | H10 | 180.0° | 179.9° |
| CAT | CAG | CAE | CAD | 0.9° | 0.0° |
| CAT | CAG | CAE | H11 | 179.1° | 180.0° |
| CAF | CAD | CAE | CAG | 0.1° | 0.0° |
| CAF | CAD | CAE | H12 | 180.0° | 180.0° |
| CAF | CAD | CAE | H11 | 179.9° | 180.0° |
| CAG | CAE | CAD | H11 | 180.0° | 180.0° |
| CAG | CAE | CAD | H12 | 179.9° | 180.0° |
| CAH | CAP | CAK | CLAC | 179.2° | 179.9° |
| CAH | CAP | CAK | H1 | 180.0° | 179.9° |
| CAP | CAH | CAI | H3 | 177.5° | 180.0° |
| CAK | CAP | CAH | H2 | 178.7° | 179.5° |
| CAD | CAE | CAG | H10 | 179.1° | 179.9° |
| CAE | CAD | CAF | H13 | 179.9° | 180.0° |
| CLAC | CAP | CAK | H1 | 0.9° | 0.0° |
| CLAC | CAP | CAH | H2 | 0.5° | 0.4° |
| H2 | CAH | CAI | H3 | 2.5° | 0.1° |
| H4 | CAA | H5 | H6 | 120.0° | 119.9° |
| H10 | CAG | CAE | H11 | 0.9° | 0.1° |
| H11 | CAE | CAD | H12 | 0.1° | 0.0° |
| H12 | CAD | CAF | H13 | 0.1° | 0.0° |
