08K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAQ | doub | 1.40Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAO | sing | 1.48Å | 1.50Å | |
| NAL | CAO | doub | 1.29Å | 1.30Å | |
| NAL | NAK | sing | 1.41Å | 1.46Å | |
| CAO | CAS | sing | 1.47Å | 1.50Å | |
| C23 | NAK | sing | 1.46Å | 1.44Å | |
| NAK | CAT | sing | 1.39Å | 1.36Å | |
| CAS | CAJ | doub | 1.40Å | 1.41Å | Aromatic |
| CAS | CAU | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAP | sing | 1.38Å | 1.37Å | Aromatic |
| CAT | NAN | doub | 1.31Å | 1.34Å | Aromatic |
| CAT | NAV | sing | 1.36Å | 1.31Å | Aromatic |
| NAN | NAM | sing | 1.29Å | 1.41Å | Aromatic |
| NAV | CAU | sing | 1.40Å | 1.39Å | |
| NAV | CAR | sing | 1.36Å | 1.35Å | Aromatic |
| CAU | CAI | doub | 1.39Å | 1.41Å | Aromatic |
| CAP | CLA | sing | 1.74Å | 1.76Å | |
| CAP | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| NAM | CAR | doub | 1.31Å | 1.33Å | Aromatic |
| CAR | CAA | sing | 1.51Å | 1.49Å | |
| CAI | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | 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 | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAF | 121.2° | 120.1° |
| CAD | CAC | CAE | 119.1° | 120.3° |
| CAD | CAC | H4 | 120.4° | 119.9° |
| CAC | CAD | H5 | 119.4° | 119.9° |
| CAD | CAF | CAQ | 120.4° | 119.9° |
| CAF | CAD | H5 | 119.4° | 120.0° |
| CAD | CAF | H6 | 119.8° | 120.0° |
| CAC | CAE | CAG | 119.8° | 120.1° |
| CAC | CAE | H3 | 120.1° | 119.9° |
| CAE | CAC | H4 | 120.4° | 119.9° |
| CAF | CAQ | CAG | 118.6° | 119.7° |
| CAF | CAQ | CAO | 118.9° | 120.1° |
| CAQ | CAF | H6 | 119.8° | 120.1° |
| CAE | CAG | CAQ | 120.9° | 119.9° |
| CAE | CAG | H2 | 119.6° | 120.1° |
| CAG | CAE | H3 | 120.1° | 120.0° |
| CAG | CAQ | CAO | 122.2° | 120.2° |
| CAQ | CAG | H2 | 119.6° | 120.0° |
| CAQ | CAO | NAL | 119.7° | 116.6° |
| CAQ | CAO | CAS | 118.4° | 116.6° |
| CAO | NAL | NAK | 125.7° | 121.5° |
| NAL | CAO | CAS | 121.4° | 126.9° |
| NAL | NAK | C23 | 119.9° | 122.0° |
| NAL | NAK | CAT | 112.1° | 116.1° |
| CAO | CAS | CAJ | 118.0° | 117.8° |
| CAO | CAS | CAU | 121.1° | 123.2° |
| C23 | NAK | CAT | 120.5° | 122.0° |
| NAK | C23 | H7 | 109.5° | 109.5° |
| NAK | C23 | H8 | 109.5° | 109.5° |
| NAK | C23 | H9 | 109.4° | 109.5° |
| NAK | CAT | NAN | 122.6° | 128.4° |
| NAK | CAT | NAV | 125.6° | 124.4° |
| CAJ | CAS | CAU | 121.0° | 118.9° |
| CAS | CAJ | CAP | 118.6° | 120.5° |
| CAS | CAJ | H1 | 120.7° | 119.7° |
| CAS | CAU | NAV | 124.5° | 121.9° |
| CAS | CAU | CAI | 116.7° | 119.9° |
| CAJ | CAP | CLA | 119.3° | 119.9° |
| CAJ | CAP | CAH | 122.9° | 120.1° |
| CAP | CAJ | H1 | 120.7° | 119.7° |
| NAN | CAT | NAV | 110.5° | 107.2° |
| CAT | NAN | NAM | 104.6° | 109.7° |
| CAT | NAV | CAU | 123.1° | 125.6° |
| CAT | NAV | CAR | 108.5° | 105.9° |
| NAN | NAM | CAR | 108.2° | 110.2° |
| CAU | NAV | CAR | 127.9° | 128.4° |
| NAV | CAU | CAI | 118.8° | 118.2° |
| NAV | CAR | NAM | 108.0° | 106.9° |
| NAV | CAR | CAA | 129.4° | 126.5° |
| CAU | CAI | CAH | 123.0° | 120.6° |
| CAU | CAI | H13 | 118.5° | 119.8° |
| CLA | CAP | CAH | 117.8° | 119.9° |
| CAP | CAH | CAI | 117.9° | 119.9° |
| CAP | CAH | H14 | 121.1° | 120.0° |
| NAM | CAR | CAA | 122.6° | 126.6° |
| CAR | CAA | H10 | 109.5° | 109.5° |
| CAR | CAA | H11 | 109.5° | 109.5° |
| CAR | CAA | H12 | 109.4° | 109.5° |
| CAH | CAI | H13 | 118.5° | 119.7° |
| CAI | CAH | H14 | 121.1° | 120.1° |
| H7 | C23 | H8 | 109.4° | 109.5° |
| H7 | C23 | H9 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.4° | 109.4° |
| H10 | CAA | H12 | 109.5° | 109.4° |
| H11 | CAA | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAF | H5 | 180.0° | 179.7° |
| CAD | CAC | CAE | H4 | 180.0° | 180.0° |
| CAC | CAD | CAF | CAQ | 1.3° | 0.5° |
| CAD | CAC | CAE | CAG | 1.3° | 0.0° |
| CAD | CAC | CAE | H3 | 178.7° | 180.0° |
| CAC | CAD | CAF | H6 | 178.8° | 180.0° |
| CAF | CAD | CAC | CAE | 2.3° | 0.2° |
| CAD | CAF | CAQ | H6 | 180.0° | 179.5° |
| CAD | CAF | CAQ | CAG | 0.8° | 0.5° |
| CAD | CAF | CAQ | CAO | 175.0° | 179.8° |
| CAF | CAD | CAC | H4 | 177.7° | 179.7° |
| CAC | CAE | CAG | H3 | 180.0° | 180.0° |
| CAC | CAE | CAG | CAQ | 0.8° | 0.0° |
| CAC | CAE | CAG | H2 | 179.2° | 179.9° |
| CAE | CAC | CAD | H5 | 177.7° | 180.0° |
| CAF | CAQ | CAG | CAE | 1.8° | 0.3° |
| CAF | CAQ | CAG | CAO | 174.0° | 179.7° |
| CAF | CAQ | CAO | NAL | 23.6° | 154.3° |
| CAF | CAQ | CAO | CAS | 164.8° | 25.7° |
| CAF | CAQ | CAG | H2 | 178.2° | 179.8° |
| CAQ | CAF | CAD | H5 | 178.8° | 179.7° |
| CAE | CAG | CAQ | H2 | 180.0° | 179.9° |
| CAE | CAG | CAQ | CAO | 175.9° | 180.0° |
| CAG | CAE | CAC | H4 | 178.7° | 180.0° |
| CAG | CAQ | CAO | NAL | 150.5° | 25.3° |
| CAG | CAQ | CAO | CAS | 21.2° | 154.6° |
| CAQ | CAG | CAE | H3 | 179.2° | 179.9° |
| CAG | CAQ | CAF | H6 | 179.2° | 179.9° |
| CAQ | CAO | NAL | CAS | 171.4° | 179.9° |
| CAQ | CAO | NAL | NAK | 176.2° | 176.8° |
| CAQ | CAO | CAS | CAJ | 44.5° | 38.8° |
| CAQ | CAO | CAS | CAU | 135.0° | 139.4° |
| CAO | CAQ | CAG | H2 | 4.2° | 0.1° |
| CAO | CAQ | CAF | H6 | 4.9° | 0.3° |
| CAO | NAL | NAK | C23 | 146.0° | 122.5° |
| CAO | NAL | NAK | CAT | 64.1° | 57.4° |
| NAL | CAO | CAS | CAJ | 144.0° | 141.1° |
| NAL | CAO | CAS | CAU | 36.5° | 40.7° |
| NAK | NAL | CAO | CAS | 4.8° | 3.3° |
| NAL | NAK | C23 | CAT | 147.4° | 179.9° |
| NAL | NAK | CAT | NAN | 115.3° | 123.9° |
| NAL | NAK | CAT | NAV | 50.9° | 55.2° |
| NAL | NAK | C23 | H7 | 0.0° | 0.1° |
| NAL | NAK | C23 | H8 | 120.0° | 120.0° |
| NAL | NAK | C23 | H9 | 120.0° | 120.0° |
| CAO | CAS | CAJ | CAU | 179.6° | 178.3° |
| CAO | CAS | CAJ | CAP | 179.1° | 177.1° |
| CAO | CAS | CAU | NAV | 2.0° | 4.4° |
| CAO | CAS | CAU | CAI | 178.2° | 176.4° |
| CAO | CAS | CAJ | H1 | 0.9° | 2.9° |
| C23 | NAK | CAT | NAN | 34.4° | 56.2° |
| C23 | NAK | CAT | NAV | 159.4° | 124.7° |
| NAK | C23 | H7 | H8 | 120.0° | 120.0° |
| NAK | C23 | H7 | H9 | 120.0° | 120.0° |
| NAK | C23 | H8 | H9 | 120.0° | 120.0° |
| NAK | CAT | NAN | NAV | 168.0° | 179.2° |
| NAK | CAT | NAN | NAM | 169.7° | 175.6° |
| NAK | CAT | NAV | CAU | 16.1° | 7.5° |
| NAK | CAT | NAV | CAR | 170.7° | 174.9° |
| CAT | NAK | C23 | H7 | 147.4° | 179.9° |
| CAT | NAK | C23 | H8 | 27.4° | 59.9° |
| CAT | NAK | C23 | H9 | 92.6° | 60.1° |
| CAS | CAJ | CAP | H1 | 180.0° | 179.9° |
| CAJ | CAS | CAU | NAV | 178.4° | 177.5° |
| CAJ | CAS | CAU | CAI | 2.2° | 1.8° |
| CAS | CAJ | CAP | CLA | 178.9° | 180.0° |
| CAS | CAJ | CAP | CAH | 1.6° | 0.3° |
| CAU | CAS | CAJ | CAP | 0.4° | 1.2° |
| CAS | CAU | NAV | CAT | 45.3° | 35.6° |
| CAS | CAU | NAV | CAI | 176.2° | 179.2° |
| CAS | CAU | NAV | CAR | 142.8° | 147.4° |
| CAS | CAU | CAI | CAH | 3.9° | 1.5° |
| CAU | CAS | CAJ | H1 | 179.6° | 178.9° |
| CAS | CAU | CAI | H13 | 176.0° | 178.9° |
| CAJ | CAP | CLA | CAH | 179.5° | 179.7° |
| CAJ | CAP | CAH | CAI | 0.0° | 0.0° |
| CAJ | CAP | CAH | H14 | 180.0° | 179.6° |
| NAN | CAT | NAV | CAU | 176.3° | 173.3° |
| NAN | CAT | NAV | CAR | 3.1° | 4.3° |
| CAT | NAN | NAM | CAR | 0.5° | 1.4° |
| NAV | CAT | NAN | NAM | 1.6° | 3.6° |
| CAT | NAV | CAU | CAR | 171.9° | 177.0° |
| CAT | NAV | CAU | CAI | 130.8° | 143.6° |
| CAT | NAV | CAR | NAM | 3.3° | 3.5° |
| CAT | NAV | CAR | CAA | 177.3° | 176.5° |
| NAN | NAM | CAR | NAV | 2.3° | 1.4° |
| NAN | NAM | CAR | CAA | 178.3° | 178.5° |
| CAU | NAV | CAR | NAM | 176.1° | 174.0° |
| CAU | NAV | CAR | CAA | 4.5° | 6.1° |
| NAV | CAU | CAI | CAH | 179.6° | 177.8° |
| NAV | CAU | CAI | H13 | 0.4° | 1.9° |
| CAR | NAV | CAU | CAI | 41.0° | 33.4° |
| NAV | CAR | NAM | CAA | 179.4° | 179.9° |
| NAV | CAR | CAA | H10 | 179.3° | 95.9° |
| NAV | CAR | CAA | H11 | 59.3° | 144.1° |
| NAV | CAR | CAA | H12 | 60.7° | 24.1° |
| CAU | CAI | CAH | CAP | 2.9° | 0.6° |
| CAU | CAI | CAH | H13 | 180.0° | 179.7° |
| CAU | CAI | CAH | H14 | 177.1° | 179.8° |
| CLA | CAP | CAH | CAI | 179.5° | 179.7° |
| CLA | CAP | CAJ | H1 | 1.2° | 0.0° |
| CLA | CAP | CAH | H14 | 0.5° | 0.7° |
| CAP | CAH | CAI | H14 | 180.0° | 179.6° |
| CAH | CAP | CAJ | H1 | 178.4° | 179.7° |
| CAP | CAH | CAI | H13 | 177.1° | 179.8° |
| NAM | CAR | CAA | H10 | 0.0° | 84.0° |
| NAM | CAR | CAA | H11 | 120.0° | 36.0° |
| NAM | CAR | CAA | H12 | 120.0° | 156.0° |
| CAR | CAA | H10 | H11 | 120.0° | 120.0° |
| CAR | CAA | H10 | H12 | 120.0° | 120.0° |
| CAR | CAA | H11 | H12 | 120.0° | 120.0° |
| H2 | CAG | CAE | H3 | 0.8° | 0.0° |
| H3 | CAE | CAC | H4 | 1.3° | 0.1° |
| H4 | CAC | CAD | H5 | 2.3° | 0.0° |
| H5 | CAD | CAF | H6 | 1.2° | 0.2° |
| H7 | C23 | H8 | H9 | 120.0° | 120.0° |
| H10 | CAA | H11 | H12 | 120.0° | 119.9° |
| H13 | CAI | CAH | H14 | 2.9° | 0.1° |
