59Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAB | CAY | sing | 1.40Å | 1.39Å | |
| FAA | CAY | sing | 1.40Å | 1.37Å | |
| CAY | CAT | sing | 1.51Å | 1.52Å | |
| SAQ | CAT | sing | 1.77Å | 1.61Å | Aromatic |
| SAQ | CAU | sing | 1.76Å | 1.64Å | Aromatic |
| CAL | CAS | sing | 1.51Å | 1.54Å | |
| CAL | CBB | sing | 1.53Å | 1.55Å | |
| SAR | CAS | sing | 1.75Å | 1.65Å | Aromatic |
| SAR | C4 | sing | 1.76Å | 1.66Å | Aromatic |
| CAS | CAG | doub | 1.32Å | 1.35Å | Aromatic |
| CAT | NAO | doub | 1.29Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.34Å | 1.31Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.35Å | Aromatic |
| CAI | CAK | sing | 1.53Å | 1.54Å | |
| CAI | NAZ | sing | 1.47Å | 1.48Å | |
| FAC | CBB | sing | 1.40Å | 1.29Å | |
| CAG | C5 | sing | 1.45Å | 1.36Å | Aromatic |
| N3 | C2 | sing | 1.31Å | 1.37Å | Aromatic |
| CBB | FAD | sing | 1.40Å | 1.26Å | |
| CBB | FAE | sing | 1.40Å | 1.21Å | |
| C5 | C6 | doub | 1.42Å | 1.37Å | Aromatic |
| CAK | NBA | sing | 1.47Å | 1.49Å | |
| CAU | NAZ | sing | 1.39Å | 1.34Å | |
| CAU | NAP | doub | 1.30Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | NBA | sing | 1.38Å | 1.36Å | |
| NAO | NAP | sing | 1.26Å | 1.32Å | Aromatic |
| NAZ | CAH | sing | 1.47Å | 1.49Å | |
| NBA | CAJ | sing | 1.47Å | 1.48Å | |
| CAJ | CAH | sing | 1.53Å | 1.54Å | |
| CAL | H1 | sing | 1.09Å | 1.10Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAB | CAY | FAA | 110.0° | 109.5° |
| FAB | CAY | CAT | 109.2° | 109.4° |
| FAB | CAY | H13 | 109.7° | 109.4° |
| FAA | CAY | CAT | 109.9° | 109.5° |
| FAA | CAY | H13 | 110.0° | 109.5° |
| CAY | CAT | SAQ | 124.5° | 126.0° |
| CAY | CAT | NAO | 124.9° | 126.1° |
| CAT | CAY | H13 | 108.0° | 109.4° |
| CAT | SAQ | CAU | 93.6° | 88.9° |
| SAQ | CAT | NAO | 110.7° | 107.9° |
| SAQ | CAU | NAZ | 126.4° | 126.1° |
| SAQ | CAU | NAP | 109.7° | 107.7° |
| CAS | CAL | CBB | 110.3° | 109.5° |
| CAL | CAS | SAR | 123.3° | 124.3° |
| CAL | CAS | CAG | 125.8° | 124.3° |
| CAS | CAL | H1 | 109.2° | 109.5° |
| CAS | CAL | H2 | 109.3° | 109.5° |
| CAL | CBB | FAC | 111.9° | 109.4° |
| CAL | CBB | FAD | 111.7° | 109.5° |
| CAL | CBB | FAE | 110.1° | 109.5° |
| CBB | CAL | H1 | 109.2° | 109.5° |
| CBB | CAL | H2 | 109.3° | 109.5° |
| CAS | SAR | C4 | 91.5° | 92.2° |
| SAR | CAS | CAG | 110.9° | 111.4° |
| SAR | C4 | N3 | 125.6° | 131.3° |
| SAR | C4 | C5 | 113.6° | 109.6° |
| CAS | CAG | C5 | 114.7° | 114.8° |
| CAS | CAG | H3 | 122.6° | 122.6° |
| CAT | NAO | NAP | 113.0° | 118.0° |
| N3 | C4 | C5 | 120.8° | 119.2° |
| C4 | N3 | C2 | 123.0° | 121.0° |
| C4 | C5 | CAG | 109.1° | 112.0° |
| C4 | C5 | C6 | 118.3° | 117.5° |
| CAK | CAI | NAZ | 111.4° | 109.4° |
| CAI | CAK | NBA | 112.0° | 109.4° |
| CAI | CAK | H5 | 108.8° | 109.5° |
| CAI | CAK | H6 | 108.8° | 109.5° |
| CAK | CAI | H7 | 109.0° | 109.5° |
| CAK | CAI | H8 | 109.0° | 109.6° |
| CAI | NAZ | CAU | 121.9° | 111.0° |
| CAI | NAZ | CAH | 118.7° | 110.9° |
| NAZ | CAI | H7 | 109.0° | 109.5° |
| NAZ | CAI | H8 | 109.0° | 109.4° |
| FAC | CBB | FAD | 107.4° | 109.5° |
| FAC | CBB | FAE | 107.7° | 109.4° |
| CAG | C5 | C6 | 132.6° | 130.5° |
| C5 | CAG | H3 | 122.6° | 122.5° |
| N3 | C2 | N1 | 115.4° | 122.2° |
| N3 | C2 | H4 | 122.3° | 118.9° |
| FAD | CBB | FAE | 107.8° | 109.5° |
| C5 | C6 | N1 | 119.9° | 119.0° |
| C5 | C6 | NBA | 127.3° | 120.6° |
| CAK | NBA | C6 | 120.0° | 111.0° |
| CAK | NBA | CAJ | 118.8° | 110.9° |
| NBA | CAK | H5 | 108.8° | 109.5° |
| NBA | CAK | H6 | 108.8° | 109.5° |
| NAZ | CAU | NAP | 123.9° | 126.2° |
| CAU | NAZ | CAH | 119.3° | 111.0° |
| CAU | NAP | NAO | 113.0° | 117.6° |
| C2 | N1 | C6 | 122.4° | 121.2° |
| N1 | C2 | H4 | 122.3° | 118.9° |
| N1 | C6 | NBA | 112.7° | 120.5° |
| C6 | NBA | CAJ | 121.2° | 111.0° |
| NAZ | CAH | CAJ | 111.8° | 109.3° |
| NAZ | CAH | H11 | 108.9° | 109.5° |
| NAZ | CAH | H12 | 108.9° | 109.5° |
| NBA | CAJ | CAH | 111.4° | 109.4° |
| NBA | CAJ | H9 | 109.0° | 109.5° |
| NBA | CAJ | H10 | 109.0° | 109.5° |
| CAH | CAJ | H9 | 109.0° | 109.5° |
| CAH | CAJ | H10 | 109.0° | 109.5° |
| CAJ | CAH | H11 | 108.9° | 109.5° |
| CAJ | CAH | H12 | 108.9° | 109.5° |
| H1 | CAL | H2 | 109.5° | 109.4° |
| H5 | CAK | H6 | 109.5° | 109.5° |
| H7 | CAI | H8 | 109.5° | 109.5° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
| H11 | CAH | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAB | CAY | FAA | CAT | 120.3° | 120.0° |
| FAB | CAY | FAA | H13 | 120.9° | 120.0° |
| FAB | CAY | CAT | H13 | 119.2° | 119.9° |
| FAB | CAY | CAT | SAQ | 48.0° | 60.0° |
| FAB | CAY | CAT | NAO | 131.7° | 119.7° |
| FAA | CAY | CAT | H13 | 120.0° | 120.0° |
| FAA | CAY | CAT | SAQ | 72.8° | 60.0° |
| FAA | CAY | CAT | NAO | 107.4° | 120.3° |
| CAY | CAT | SAQ | NAO | 179.8° | 179.8° |
| CAY | CAT | SAQ | CAU | 179.9° | 180.0° |
| CAY | CAT | NAO | NAP | 179.8° | 179.9° |
| CAT | SAQ | CAU | NAZ | 179.6° | 180.0° |
| CAT | SAQ | CAU | NAP | 0.1° | 0.2° |
| SAQ | CAT | NAO | NAP | 0.1° | 0.1° |
| SAQ | CAT | CAY | H13 | 167.2° | 180.0° |
| CAU | SAQ | CAT | NAO | 0.1° | 0.2° |
| SAQ | CAU | NAZ | CAI | 8.1° | 179.8° |
| SAQ | CAU | NAZ | NAP | 179.4° | 179.8° |
| SAQ | CAU | NAP | NAO | 0.1° | 0.2° |
| SAQ | CAU | NAZ | CAH | 169.7° | 56.0° |
| CAS | CAL | CBB | H1 | 120.1° | 120.0° |
| CAS | CAL | CBB | H2 | 120.1° | 120.1° |
| CAL | CAS | SAR | CAG | 179.6° | 179.8° |
| CAL | CAS | SAR | C4 | 177.9° | 179.9° |
| CAS | CAL | CBB | FAC | 178.8° | 60.1° |
| CAL | CAS | CAG | C5 | 178.5° | 180.0° |
| CAS | CAL | CBB | FAD | 60.8° | 60.0° |
| CAS | CAL | CBB | FAE | 59.0° | 180.0° |
| CAS | CAL | H1 | H2 | 119.6° | 120.0° |
| CAL | CAS | CAG | H3 | 1.5° | 0.2° |
| CBB | CAL | CAS | SAR | 78.3° | 89.8° |
| CBB | CAL | CAS | CAG | 102.2° | 89.9° |
| CAL | CBB | FAC | FAD | 122.9° | 120.0° |
| CAL | CBB | FAC | FAE | 121.2° | 120.0° |
| CAL | CBB | FAD | FAE | 121.1° | 120.0° |
| CBB | CAL | H1 | H2 | 119.6° | 120.0° |
| CAS | SAR | C4 | N3 | 178.8° | 180.0° |
| CAS | SAR | C4 | C5 | 2.7° | 0.3° |
| SAR | CAS | CAG | C5 | 2.0° | 0.2° |
| SAR | CAS | CAL | H1 | 161.6° | 150.2° |
| SAR | CAS | CAL | H2 | 41.9° | 30.3° |
| SAR | CAS | CAG | H3 | 178.0° | 180.0° |
| C4 | SAR | CAS | CAG | 2.6° | 0.3° |
| SAR | C4 | N3 | C5 | 178.5° | 179.7° |
| SAR | C4 | C5 | CAG | 2.0° | 0.3° |
| SAR | C4 | N3 | C2 | 177.3° | 179.7° |
| SAR | C4 | C5 | C6 | 178.2° | 179.8° |
| CAS | CAG | C5 | C4 | 0.0° | 0.1° |
| CAS | CAG | C5 | H3 | 180.0° | 179.8° |
| CAS | CAG | C5 | C6 | 179.8° | 180.0° |
| CAG | CAS | CAL | H1 | 17.9° | 30.1° |
| CAG | CAS | CAL | H2 | 137.7° | 150.0° |
| CAT | NAO | NAP | CAU | 0.0° | 0.1° |
| NAO | CAT | CAY | H13 | 12.6° | 0.2° |
| N3 | C4 | C5 | CAG | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C4 | N3 | C2 | N1 | 3.1° | 0.0° |
| C4 | N3 | C2 | H4 | 177.0° | 180.0° |
| C4 | C5 | CAG | C6 | 179.8° | 180.0° |
| C5 | C4 | N3 | C2 | 1.2° | 0.0° |
| C4 | C5 | C6 | N1 | 1.8° | 0.0° |
| C4 | C5 | C6 | NBA | 178.0° | 180.0° |
| C4 | C5 | CAG | H3 | 180.0° | 179.8° |
| CAK | CAI | NAZ | H7 | 120.3° | 119.9° |
| CAK | CAI | NAZ | H8 | 120.3° | 120.0° |
| CAI | CAK | NBA | H5 | 120.4° | 120.0° |
| CAI | CAK | NBA | H6 | 120.4° | 119.9° |
| CAK | CAI | NAZ | CAU | 176.2° | 176.9° |
| CAI | CAK | NBA | C6 | 131.6° | 176.8° |
| CAK | CAI | NAZ | CAH | 1.7° | 59.3° |
| CAI | CAK | NBA | CAJ | 46.8° | 59.3° |
| CAI | CAK | H5 | H6 | 118.8° | 120.0° |
| CAK | CAI | H7 | H8 | 119.1° | 120.1° |
| NAZ | CAI | CAK | NBA | 44.6° | 58.4° |
| CAI | NAZ | CAU | CAH | 177.9° | 123.7° |
| CAI | NAZ | CAU | NAP | 172.5° | 0.0° |
| CAI | NAZ | CAH | CAJ | 47.8° | 59.3° |
| NAZ | CAI | CAK | H5 | 75.8° | 178.4° |
| NAZ | CAI | CAK | H6 | 165.0° | 61.6° |
| NAZ | CAI | H7 | H8 | 119.1° | 120.0° |
| CAI | NAZ | CAH | H11 | 168.1° | 179.3° |
| CAI | NAZ | CAH | H12 | 72.5° | 60.6° |
| FAC | CBB | FAD | FAE | 115.8° | 120.0° |
| FAC | CBB | CAL | H1 | 58.6° | 179.9° |
| FAC | CBB | CAL | H2 | 61.1° | 60.0° |
| CAG | C5 | C6 | N1 | 178.0° | 180.0° |
| CAG | C5 | C6 | NBA | 2.2° | 0.1° |
| N3 | C2 | N1 | H4 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 4.4° | 0.0° |
| FAD | CBB | CAL | H1 | 179.1° | 60.0° |
| FAD | CBB | CAL | H2 | 59.4° | 180.0° |
| FAE | CBB | CAL | H1 | 61.1° | 60.0° |
| FAE | CBB | CAL | H2 | 179.1° | 59.9° |
| C5 | C6 | NBA | CAK | 20.0° | 56.2° |
| C5 | C6 | N1 | C2 | 3.9° | 0.0° |
| C5 | C6 | N1 | NBA | 179.8° | 179.9° |
| C5 | C6 | NBA | CAJ | 161.6° | 180.0° |
| C6 | C5 | CAG | H3 | 0.2° | 0.2° |
| CAK | NBA | C6 | N1 | 159.8° | 123.9° |
| CAK | NBA | C6 | CAJ | 178.4° | 123.8° |
| CAK | NBA | CAJ | CAH | 0.7° | 59.3° |
| NBA | CAK | H5 | H6 | 118.8° | 120.0° |
| NBA | CAK | CAI | H7 | 75.7° | 61.5° |
| NBA | CAK | CAI | H8 | 164.9° | 178.3° |
| CAK | NBA | CAJ | H9 | 119.6° | 60.7° |
| CAK | NBA | CAJ | H10 | 121.0° | 179.3° |
| NAZ | CAU | NAP | NAO | 179.6° | 180.0° |
| CAU | NAZ | CAH | CAJ | 130.1° | 176.9° |
| CAU | NAZ | CAI | H7 | 55.9° | 63.2° |
| CAU | NAZ | CAI | H8 | 63.5° | 56.9° |
| CAU | NAZ | CAH | H11 | 9.8° | 56.9° |
| CAU | NAZ | CAH | H12 | 109.5° | 63.2° |
| NAP | CAU | NAZ | CAH | 9.7° | 123.8° |
| C2 | N1 | C6 | NBA | 175.9° | 180.0° |
| N1 | C6 | NBA | CAJ | 18.6° | 0.0° |
| C6 | N1 | C2 | H4 | 175.6° | 180.0° |
| C6 | NBA | CAJ | CAH | 177.7° | 176.8° |
| C6 | NBA | CAK | H5 | 108.0° | 56.8° |
| C6 | NBA | CAK | H6 | 11.3° | 63.3° |
| C6 | NBA | CAJ | H9 | 62.0° | 63.2° |
| C6 | NBA | CAJ | H10 | 57.4° | 56.8° |
| NAZ | CAH | CAJ | NBA | 45.5° | 58.4° |
| NAZ | CAH | CAJ | H11 | 120.4° | 119.9° |
| NAZ | CAH | CAJ | H12 | 120.3° | 120.0° |
| CAH | NAZ | CAI | H7 | 122.0° | 60.6° |
| CAH | NAZ | CAI | H8 | 118.6° | 179.3° |
| NAZ | CAH | CAJ | H9 | 165.8° | 61.6° |
| NAZ | CAH | CAJ | H10 | 74.8° | 178.4° |
| NAZ | CAH | H11 | H12 | 119.0° | 120.1° |
| NBA | CAJ | CAH | H9 | 120.3° | 120.0° |
| NBA | CAJ | CAH | H10 | 120.3° | 120.0° |
| CAJ | NBA | CAK | H5 | 73.6° | 179.3° |
| CAJ | NBA | CAK | H6 | 167.2° | 60.7° |
| NBA | CAJ | H9 | H10 | 119.1° | 120.1° |
| NBA | CAJ | CAH | H11 | 165.9° | 178.4° |
| NBA | CAJ | CAH | H12 | 74.8° | 61.6° |
| CAH | CAJ | H9 | H10 | 119.1° | 120.0° |
| CAJ | CAH | H11 | H12 | 118.9° | 120.0° |
| H5 | CAK | CAI | H7 | 163.9° | 58.5° |
| H5 | CAK | CAI | H8 | 44.5° | 61.6° |
| H6 | CAK | CAI | H7 | 44.7° | 178.5° |
| H6 | CAK | CAI | H8 | 74.7° | 58.4° |
| H9 | CAJ | CAH | H11 | 73.9° | 58.4° |
| H9 | CAJ | CAH | H12 | 45.4° | 178.5° |
| H10 | CAJ | CAH | H11 | 45.6° | 61.7° |
| H10 | CAJ | CAH | H12 | 164.9° | 58.4° |
