1NM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | C6 | sing | 1.39Å | 1.34Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | NAC | sing | 1.39Å | 1.33Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | SAR | sing | 1.76Å | 1.78Å | |
| SAR | CAL | sing | 1.81Å | 1.83Å | |
| CAL | CAV | sing | 1.51Å | 1.53Å | |
| FAD | CAJ | sing | 1.40Å | 1.49Å | |
| CAV | NAO | sing | 1.31Å | 1.35Å | Aromatic |
| CAV | CAG | doub | 1.34Å | 1.34Å | Aromatic |
| NAO | CBA | doub | 1.30Å | 1.32Å | Aromatic |
| CAG | SAS | sing | 1.76Å | 1.66Å | Aromatic |
| CAJ | CAK | sing | 1.53Å | 1.55Å | |
| CBA | SAS | sing | 1.76Å | 1.64Å | Aromatic |
| CBA | CAW | sing | 1.48Å | 1.33Å | |
| CAK | OAQ | sing | 1.43Å | 1.45Å | |
| CAW | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| CAW | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAZ | OAQ | sing | 1.36Å | 1.37Å | |
| CAZ | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAY | OAP | sing | 1.36Å | 1.38Å | |
| OAP | CAA | sing | 1.43Å | 1.45Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| NAB | H14 | sing | 0.97Å | 1.00Å | |
| NAB | H15 | sing | 0.97Å | 1.00Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| NAC | H17 | sing | 0.97Å | 1.00Å | |
| NAC | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | C6 | C5 | 118.7° | 120.4° |
| NAB | C6 | N1 | 121.4° | 120.4° |
| C6 | NAB | H14 | 109.5° | 120.0° |
| C6 | NAB | H15 | 109.5° | 120.0° |
| C5 | C6 | N1 | 119.9° | 119.2° |
| C6 | C5 | C4 | 117.9° | 118.4° |
| C6 | C5 | H16 | 121.1° | 120.9° |
| C6 | N1 | C2 | 120.5° | 120.8° |
| C5 | C4 | NAC | 120.4° | 120.4° |
| C5 | C4 | N3 | 120.6° | 119.1° |
| C4 | C5 | H16 | 121.0° | 120.8° |
| N1 | C2 | N3 | 120.3° | 121.7° |
| N1 | C2 | SAR | 121.3° | 119.1° |
| NAC | C4 | N3 | 119.0° | 120.5° |
| C4 | NAC | H17 | 109.5° | 120.0° |
| C4 | NAC | H18 | 109.4° | 120.0° |
| C4 | N3 | C2 | 120.8° | 120.9° |
| N3 | C2 | SAR | 118.5° | 119.2° |
| C2 | SAR | CAL | 105.0° | 100.0° |
| SAR | CAL | CAV | 113.3° | 109.5° |
| SAR | CAL | H12 | 108.5° | 109.4° |
| SAR | CAL | H13 | 108.5° | 109.4° |
| CAL | CAV | NAO | 121.9° | 122.0° |
| CAL | CAV | CAG | 121.7° | 122.1° |
| CAV | CAL | H12 | 108.5° | 109.5° |
| CAV | CAL | H13 | 108.5° | 109.5° |
| FAD | CAJ | CAK | 111.2° | 109.5° |
| FAD | CAJ | H1 | 109.0° | 109.5° |
| FAD | CAJ | H2 | 109.0° | 109.5° |
| NAO | CAV | CAG | 116.4° | 115.9° |
| CAV | NAO | CBA | 112.4° | 117.0° |
| CAV | CAG | SAS | 106.1° | 108.3° |
| CAV | CAG | H11 | 126.9° | 125.9° |
| NAO | CBA | SAS | 109.5° | 109.1° |
| NAO | CBA | CAW | 125.5° | 125.4° |
| CAG | SAS | CBA | 95.6° | 89.8° |
| SAS | CAG | H11 | 127.0° | 125.9° |
| CAJ | CAK | OAQ | 110.6° | 109.5° |
| CAK | CAJ | H1 | 109.1° | 109.4° |
| CAK | CAJ | H2 | 109.0° | 109.5° |
| CAJ | CAK | H3 | 109.2° | 109.5° |
| CAJ | CAK | H4 | 109.2° | 109.5° |
| SAS | CBA | CAW | 124.8° | 125.5° |
| CBA | CAW | CAI | 119.5° | 120.0° |
| CBA | CAW | CAE | 120.3° | 120.1° |
| CAK | OAQ | CAZ | 113.9° | 117.0° |
| OAQ | CAK | H3 | 109.2° | 109.5° |
| OAQ | CAK | H4 | 109.2° | 109.4° |
| CAI | CAW | CAE | 120.1° | 119.9° |
| CAW | CAI | CAZ | 119.8° | 119.8° |
| CAW | CAI | H5 | 120.1° | 120.1° |
| CAW | CAE | CAF | 120.0° | 120.0° |
| CAW | CAE | H10 | 120.0° | 120.1° |
| CAI | CAZ | OAQ | 121.9° | 120.0° |
| CAI | CAZ | CAY | 120.4° | 120.0° |
| CAZ | CAI | H5 | 120.1° | 120.1° |
| OAQ | CAZ | CAY | 117.8° | 120.0° |
| CAZ | CAY | CAF | 119.4° | 120.2° |
| CAZ | CAY | OAP | 117.6° | 119.9° |
| CAE | CAF | CAY | 120.2° | 120.1° |
| CAE | CAF | H9 | 119.9° | 119.9° |
| CAF | CAE | H10 | 119.9° | 120.0° |
| CAF | CAY | OAP | 123.0° | 119.9° |
| CAY | CAF | H9 | 119.9° | 119.9° |
| CAY | OAP | CAA | 115.5° | 117.0° |
| OAP | CAA | H6 | 109.5° | 109.4° |
| OAP | CAA | H7 | 109.4° | 109.4° |
| OAP | CAA | H8 | 109.4° | 109.5° |
| H1 | CAJ | H2 | 109.5° | 109.4° |
| H3 | CAK | H4 | 109.5° | 109.4° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.4° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H12 | CAL | H13 | 109.5° | 109.5° |
| H14 | NAB | H15 | 109.5° | 120.0° |
| H17 | NAC | H18 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | C6 | C5 | N1 | 179.6° | 179.7° |
| NAB | C6 | C5 | C4 | 179.4° | 180.0° |
| NAB | C6 | N1 | C2 | 179.1° | 179.7° |
| C6 | NAB | H14 | H15 | 120.0° | 180.0° |
| NAB | C6 | C5 | H16 | 0.6° | 0.3° |
| C6 | C5 | C4 | H16 | 180.0° | 179.7° |
| C5 | C6 | N1 | C2 | 0.4° | 0.1° |
| C6 | C5 | C4 | NAC | 179.1° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.6° |
| C5 | C6 | NAB | H14 | 179.6° | 0.0° |
| C5 | C6 | NAB | H15 | 60.4° | 180.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.3° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| C6 | N1 | C2 | SAR | 179.9° | 179.8° |
| N1 | C6 | NAB | H14 | 0.0° | 179.7° |
| N1 | C6 | NAB | H15 | 120.0° | 0.3° |
| N1 | C6 | C5 | H16 | 179.8° | 180.0° |
| C5 | C4 | NAC | N3 | 179.0° | 179.4° |
| C5 | C4 | N3 | C2 | 0.3° | 0.6° |
| C5 | C4 | NAC | H17 | 179.0° | 0.1° |
| C5 | C4 | NAC | H18 | 61.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.3° |
| N1 | C2 | N3 | SAR | 179.4° | 179.8° |
| N1 | C2 | SAR | CAL | 145.9° | 0.2° |
| NAC | C4 | N3 | C2 | 179.3° | 180.0° |
| NAC | C4 | C5 | H16 | 0.9° | 0.3° |
| C4 | NAC | H17 | H18 | 120.0° | 179.9° |
| C4 | N3 | C2 | SAR | 179.9° | 180.0° |
| N3 | C4 | C5 | H16 | 179.9° | 179.7° |
| N3 | C4 | NAC | H17 | 0.0° | 179.5° |
| N3 | C4 | NAC | H18 | 120.0° | 0.6° |
| N3 | C2 | SAR | CAL | 33.5° | 180.0° |
| C2 | SAR | CAL | CAV | 159.8° | 180.0° |
| C2 | SAR | CAL | H12 | 39.2° | 60.0° |
| C2 | SAR | CAL | H13 | 79.7° | 60.0° |
| SAR | CAL | CAV | H12 | 120.6° | 120.0° |
| SAR | CAL | CAV | H13 | 120.6° | 120.0° |
| SAR | CAL | CAV | NAO | 97.7° | 90.0° |
| SAR | CAL | CAV | CAG | 82.8° | 90.4° |
| SAR | CAL | H12 | H13 | 118.3° | 120.0° |
| CAL | CAV | NAO | CAG | 179.5° | 179.6° |
| CAL | CAV | NAO | CBA | 179.2° | 180.0° |
| CAL | CAV | CAG | SAS | 179.2° | 179.8° |
| CAL | CAV | CAG | H11 | 0.8° | 0.3° |
| CAV | CAL | H12 | H13 | 118.3° | 120.0° |
| FAD | CAJ | CAK | H1 | 120.3° | 120.0° |
| FAD | CAJ | CAK | H2 | 120.2° | 120.0° |
| FAD | CAJ | CAK | OAQ | 164.6° | 65.0° |
| FAD | CAJ | H1 | H2 | 119.2° | 120.0° |
| FAD | CAJ | CAK | H3 | 75.3° | 175.0° |
| FAD | CAJ | CAK | H4 | 44.4° | 55.0° |
| NAO | CAV | CAG | SAS | 0.4° | 0.5° |
| CAV | NAO | CBA | SAS | 2.3° | 0.0° |
| CAV | NAO | CBA | CAW | 177.4° | 179.7° |
| NAO | CAV | CAG | H11 | 179.6° | 179.9° |
| NAO | CAV | CAL | H12 | 141.8° | 150.0° |
| NAO | CAV | CAL | H13 | 22.9° | 30.0° |
| CAG | CAV | NAO | CBA | 1.3° | 0.3° |
| CAV | CAG | SAS | H11 | 180.0° | 179.5° |
| CAV | CAG | SAS | CBA | 1.5° | 0.5° |
| CAG | CAV | CAL | H12 | 37.7° | 29.6° |
| CAG | CAV | CAL | H13 | 156.6° | 149.6° |
| NAO | CBA | SAS | CAG | 2.2° | 0.3° |
| NAO | CBA | SAS | CAW | 175.2° | 179.7° |
| NAO | CBA | CAW | CAI | 18.1° | 179.8° |
| NAO | CBA | CAW | CAE | 166.3° | 0.3° |
| CAG | SAS | CBA | CAW | 177.4° | 180.0° |
| CAJ | CAK | OAQ | H3 | 120.2° | 120.1° |
| CAJ | CAK | OAQ | H4 | 120.2° | 120.0° |
| CAJ | CAK | OAQ | CAZ | 118.3° | 180.0° |
| CAK | CAJ | H1 | H2 | 119.2° | 120.0° |
| CAJ | CAK | H3 | H4 | 119.5° | 120.0° |
| SAS | CBA | CAW | CAI | 156.3° | 0.1° |
| SAS | CBA | CAW | CAE | 19.3° | 179.9° |
| CBA | SAS | CAG | H11 | 178.6° | 180.0° |
| CBA | CAW | CAI | CAE | 175.6° | 179.9° |
| CBA | CAW | CAI | CAZ | 178.1° | 180.0° |
| CBA | CAW | CAE | CAF | 177.5° | 179.7° |
| CBA | CAW | CAI | H5 | 1.9° | 0.1° |
| CBA | CAW | CAE | H10 | 2.4° | 0.0° |
| CAK | OAQ | CAZ | CAI | 34.3° | 0.2° |
| CAK | OAQ | CAZ | CAY | 146.5° | 180.0° |
| OAQ | CAK | CAJ | H1 | 44.3° | 55.0° |
| OAQ | CAK | CAJ | H2 | 75.2° | 175.0° |
| OAQ | CAK | H3 | H4 | 119.5° | 119.9° |
| CAW | CAI | CAZ | H5 | 180.0° | 179.9° |
| CAW | CAI | CAZ | OAQ | 179.3° | 179.9° |
| CAW | CAI | CAZ | CAY | 1.6° | 0.3° |
| CAI | CAW | CAE | CAF | 2.0° | 0.2° |
| CAI | CAW | CAE | H10 | 178.0° | 179.9° |
| CAE | CAW | CAI | CAZ | 2.4° | 0.1° |
| CAW | CAE | CAF | H10 | 180.0° | 179.7° |
| CAW | CAE | CAF | CAY | 0.6° | 0.2° |
| CAE | CAW | CAI | H5 | 177.6° | 180.0° |
| CAW | CAE | CAF | H9 | 179.4° | 179.7° |
| CAI | CAZ | OAQ | CAY | 179.2° | 179.7° |
| CAI | CAZ | CAY | CAF | 0.3° | 0.3° |
| CAI | CAZ | CAY | OAP | 179.5° | 179.7° |
| OAQ | CAZ | CAY | CAF | 179.5° | 179.9° |
| OAQ | CAZ | CAY | OAP | 0.3° | 0.0° |
| CAZ | OAQ | CAK | H3 | 1.9° | 60.0° |
| CAZ | OAQ | CAK | H4 | 121.6° | 59.9° |
| OAQ | CAZ | CAI | H5 | 0.7° | 0.0° |
| CAZ | CAY | CAF | CAE | 0.2° | 0.0° |
| CAZ | CAY | CAF | OAP | 179.7° | 179.9° |
| CAZ | CAY | OAP | CAA | 171.2° | 180.0° |
| CAY | CAZ | CAI | H5 | 178.4° | 179.7° |
| CAZ | CAY | CAF | H9 | 179.8° | 180.0° |
| CAE | CAF | CAY | H9 | 180.0° | 180.0° |
| CAE | CAF | CAY | OAP | 179.9° | 180.0° |
| CAF | CAY | OAP | CAA | 9.1° | 0.0° |
| CAY | CAF | CAE | H10 | 179.4° | 180.0° |
| CAY | OAP | CAA | H6 | 180.0° | 60.0° |
| CAY | OAP | CAA | H7 | 60.0° | 60.0° |
| CAY | OAP | CAA | H8 | 60.0° | 180.0° |
| OAP | CAY | CAF | H9 | 0.1° | 0.1° |
| OAP | CAA | H6 | H7 | 120.0° | 119.9° |
| OAP | CAA | H6 | H8 | 120.0° | 120.1° |
| OAP | CAA | H7 | H8 | 120.0° | 120.0° |
| H1 | CAJ | CAK | H3 | 164.5° | 65.0° |
| H1 | CAJ | CAK | H4 | 75.9° | 175.0° |
| H2 | CAJ | CAK | H3 | 45.0° | 54.9° |
| H2 | CAJ | CAK | H4 | 164.6° | 65.0° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H9 | CAF | CAE | H10 | 0.6° | 0.0° |
