65Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | C2 | sing | 1.39Å | 1.36Å | |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.32Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | SAO | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| SAO | CAU | sing | 1.75Å | 1.74Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
| C6 | NAC | sing | 1.38Å | 1.36Å | |
| C5 | CAT | sing | 1.45Å | 1.38Å | Aromatic |
| CAU | CAT | doub | 1.33Å | 1.37Å | Aromatic |
| CAU | SAN | sing | 1.76Å | 1.81Å | |
| CAT | CAA | sing | 1.51Å | 1.55Å | |
| SAN | CAR | sing | 1.76Å | 1.71Å | |
| CAR | CAI | doub | 1.39Å | 1.43Å | Aromatic |
| CAR | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| FAF | CAX | sing | 1.40Å | 1.35Å | |
| CAI | CAG | sing | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAQ | doub | 1.39Å | 1.38Å | Aromatic |
| FAD | CAX | sing | 1.40Å | 1.27Å | |
| CAG | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAX | OAM | sing | 1.43Å | 1.40Å | |
| CAX | FAE | sing | 1.40Å | 1.35Å | |
| CAQ | CAH | sing | 1.39Å | 1.42Å | Aromatic |
| CAQ | OAM | sing | 1.36Å | 1.37Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| NAB | H5 | sing | 0.97Å | 1.00Å | |
| NAB | H6 | sing | 0.97Å | 1.00Å | |
| NAC | H7 | sing | 0.97Å | 1.00Å | |
| NAC | H8 | sing | 0.97Å | 1.00Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | C2 | N3 | 118.2° | 119.0° |
| NAB | C2 | N1 | 116.7° | 119.0° |
| C2 | NAB | H5 | 109.5° | 120.0° |
| C2 | NAB | H6 | 109.4° | 120.0° |
| N3 | C2 | N1 | 125.0° | 122.0° |
| C2 | N3 | C4 | 115.1° | 121.0° |
| C2 | N1 | C6 | 117.8° | 121.1° |
| N3 | C4 | SAO | 123.5° | 131.1° |
| N3 | C4 | C5 | 125.5° | 119.2° |
| N1 | C6 | C5 | 121.6° | 119.1° |
| N1 | C6 | NAC | 115.0° | 120.5° |
| SAO | C4 | C5 | 110.3° | 109.8° |
| C4 | SAO | CAU | 89.5° | 92.2° |
| C4 | C5 | C6 | 114.3° | 117.7° |
| C4 | C5 | CAT | 114.7° | 112.1° |
| SAO | CAU | CAT | 113.7° | 111.4° |
| SAO | CAU | SAN | 115.1° | 124.3° |
| C5 | C6 | NAC | 123.3° | 120.4° |
| C6 | C5 | CAT | 130.9° | 130.3° |
| C6 | NAC | H7 | 109.5° | 120.0° |
| C6 | NAC | H8 | 109.5° | 120.0° |
| C5 | CAT | CAU | 110.8° | 114.6° |
| C5 | CAT | CAA | 127.4° | 122.7° |
| CAT | CAU | SAN | 131.1° | 124.3° |
| CAU | CAT | CAA | 121.7° | 122.8° |
| CAU | SAN | CAR | 106.4° | 103.0° |
| CAT | CAA | H9 | 109.5° | 109.5° |
| CAT | CAA | H10 | 109.5° | 109.5° |
| CAT | CAA | H11 | 109.5° | 109.5° |
| SAN | CAR | CAI | 116.9° | 120.0° |
| SAN | CAR | CAJ | 124.0° | 120.0° |
| CAI | CAR | CAJ | 118.9° | 119.9° |
| CAR | CAI | CAG | 118.7° | 120.0° |
| CAR | CAI | H4 | 120.6° | 120.0° |
| CAR | CAJ | CAQ | 122.4° | 119.8° |
| CAR | CAJ | H1 | 118.8° | 120.1° |
| FAF | CAX | FAD | 108.5° | 109.5° |
| FAF | CAX | OAM | 111.2° | 109.5° |
| FAF | CAX | FAE | 109.9° | 109.5° |
| CAI | CAG | CAH | 120.4° | 120.1° |
| CAI | CAG | H3 | 119.8° | 120.0° |
| CAG | CAI | H4 | 120.6° | 120.0° |
| CAJ | CAQ | CAH | 118.4° | 120.0° |
| CAJ | CAQ | OAM | 117.0° | 120.0° |
| CAQ | CAJ | H1 | 118.8° | 120.1° |
| FAD | CAX | OAM | 112.6° | 109.5° |
| FAD | CAX | FAE | 108.7° | 109.4° |
| CAG | CAH | CAQ | 121.0° | 120.1° |
| CAG | CAH | H2 | 119.5° | 120.0° |
| CAH | CAG | H3 | 119.8° | 119.9° |
| OAM | CAX | FAE | 105.8° | 109.5° |
| CAX | OAM | CAQ | 124.9° | 117.0° |
| CAH | CAQ | OAM | 124.5° | 120.0° |
| CAQ | CAH | H2 | 119.5° | 120.0° |
| H5 | NAB | H6 | 109.5° | 120.0° |
| H7 | NAC | H8 | 109.4° | 120.0° |
| H9 | CAA | H10 | 109.5° | 109.4° |
| H9 | CAA | H11 | 109.5° | 109.4° |
| H10 | CAA | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | C2 | N3 | N1 | 175.6° | 179.5° |
| NAB | C2 | N3 | C4 | 174.6° | 180.0° |
| NAB | C2 | N1 | C6 | 179.9° | 179.7° |
| C2 | NAB | H5 | H6 | 120.0° | 179.9° |
| N3 | C2 | N1 | C6 | 4.3° | 0.2° |
| C2 | N3 | C4 | SAO | 178.6° | 179.9° |
| C2 | N3 | C4 | C5 | 9.6° | 0.5° |
| N3 | C2 | NAB | H5 | 0.0° | 0.0° |
| N3 | C2 | NAB | H6 | 120.0° | 180.0° |
| N1 | C2 | N3 | C4 | 9.9° | 0.5° |
| C2 | N1 | C6 | C5 | 2.1° | 0.0° |
| C2 | N1 | C6 | NAC | 179.6° | 180.0° |
| N1 | C2 | NAB | H5 | 175.9° | 179.5° |
| N1 | C2 | NAB | H6 | 55.9° | 0.5° |
| N3 | C4 | SAO | C5 | 170.5° | 179.6° |
| N3 | C4 | SAO | CAU | 179.3° | 179.7° |
| N3 | C4 | C5 | C6 | 3.9° | 0.3° |
| N3 | C4 | C5 | CAT | 179.0° | 179.8° |
| N1 | C6 | C5 | C4 | 2.4° | 0.0° |
| N1 | C6 | C5 | NAC | 178.2° | 180.0° |
| N1 | C6 | C5 | CAT | 174.2° | 180.0° |
| N1 | C6 | NAC | H7 | 0.0° | 17.1° |
| N1 | C6 | NAC | H8 | 120.0° | 163.0° |
| SAO | C4 | C5 | C6 | 174.2° | 180.0° |
| SAO | C4 | C5 | CAT | 8.7° | 0.1° |
| C4 | SAO | CAU | CAT | 7.4° | 0.0° |
| C4 | SAO | CAU | SAN | 170.2° | 180.0° |
| C5 | C4 | SAO | CAU | 8.8° | 0.1° |
| C4 | C5 | C6 | CAT | 176.5° | 179.9° |
| C4 | C5 | C6 | NAC | 179.5° | 180.0° |
| C4 | C5 | CAT | CAU | 3.3° | 0.1° |
| C4 | C5 | CAT | CAA | 176.5° | 179.9° |
| SAO | CAU | CAT | C5 | 3.8° | 0.0° |
| SAO | CAU | CAT | SAN | 177.1° | 180.0° |
| SAO | CAU | CAT | CAA | 176.4° | 180.0° |
| SAO | CAU | SAN | CAR | 90.1° | 5.5° |
| C6 | C5 | CAT | CAU | 179.8° | 180.0° |
| C6 | C5 | CAT | CAA | 0.0° | 0.0° |
| C5 | C6 | NAC | H7 | 178.3° | 162.9° |
| C5 | C6 | NAC | H8 | 61.7° | 17.0° |
| NAC | C6 | C5 | CAT | 4.0° | 0.0° |
| C6 | NAC | H7 | H8 | 120.0° | 179.9° |
| C5 | CAT | CAU | CAA | 179.8° | 180.0° |
| C5 | CAT | CAU | SAN | 173.4° | 179.9° |
| C5 | CAT | CAA | H9 | 90.1° | 83.8° |
| C5 | CAT | CAA | H10 | 149.9° | 156.3° |
| C5 | CAT | CAA | H11 | 29.9° | 36.2° |
| CAT | CAU | SAN | CAR | 92.8° | 174.5° |
| CAU | CAT | CAA | H9 | 90.1° | 96.2° |
| CAU | CAT | CAA | H10 | 29.9° | 23.7° |
| CAU | CAT | CAA | H11 | 149.9° | 143.8° |
| SAN | CAU | CAT | CAA | 6.5° | 0.1° |
| CAU | SAN | CAR | CAI | 143.4° | 91.1° |
| CAU | SAN | CAR | CAJ | 41.4° | 89.6° |
| CAT | CAA | H9 | H10 | 120.0° | 120.0° |
| CAT | CAA | H9 | H11 | 120.0° | 120.1° |
| CAT | CAA | H10 | H11 | 120.0° | 120.1° |
| SAN | CAR | CAI | CAJ | 175.5° | 179.3° |
| SAN | CAR | CAI | CAG | 179.7° | 180.0° |
| SAN | CAR | CAJ | CAQ | 178.6° | 179.8° |
| SAN | CAR | CAJ | H1 | 1.4° | 0.2° |
| SAN | CAR | CAI | H4 | 0.3° | 0.5° |
| CAR | CAI | CAG | H4 | 180.0° | 179.6° |
| CAI | CAR | CAJ | CAQ | 3.5° | 0.4° |
| CAR | CAI | CAG | CAH | 2.6° | 0.4° |
| CAI | CAR | CAJ | H1 | 176.5° | 179.5° |
| CAR | CAI | CAG | H3 | 177.4° | 179.5° |
| CAJ | CAR | CAI | CAG | 4.3° | 0.7° |
| CAR | CAJ | CAQ | H1 | 180.0° | 180.0° |
| CAR | CAJ | CAQ | CAH | 0.8° | 0.0° |
| CAR | CAJ | CAQ | OAM | 177.8° | 179.8° |
| CAJ | CAR | CAI | H4 | 175.7° | 179.8° |
| FAF | CAX | FAD | OAM | 123.5° | 120.0° |
| FAF | CAX | FAD | FAE | 119.5° | 120.0° |
| FAF | CAX | OAM | FAE | 119.3° | 120.1° |
| FAF | CAX | OAM | CAQ | 68.8° | 180.0° |
| CAI | CAG | CAH | H3 | 180.0° | 179.9° |
| CAI | CAG | CAH | CAQ | 0.0° | 0.1° |
| CAI | CAG | CAH | H2 | 179.9° | 179.9° |
| CAJ | CAQ | CAH | CAG | 1.0° | 0.3° |
| CAJ | CAQ | OAM | CAX | 93.8° | 179.7° |
| CAJ | CAQ | CAH | OAM | 176.7° | 179.7° |
| CAJ | CAQ | CAH | H2 | 179.0° | 179.7° |
| FAD | CAX | OAM | FAE | 118.7° | 119.9° |
| FAD | CAX | OAM | CAQ | 53.2° | 60.0° |
| CAG | CAH | CAQ | H2 | 180.0° | 180.0° |
| CAG | CAH | CAQ | OAM | 175.8° | 180.0° |
| CAH | CAG | CAI | H4 | 177.4° | 180.0° |
| CAX | OAM | CAQ | CAH | 89.4° | 0.0° |
| FAE | CAX | OAM | CAQ | 171.9° | 60.0° |
| CAH | CAQ | CAJ | H1 | 179.2° | 180.0° |
| CAQ | CAH | CAG | H3 | 180.0° | 179.9° |
| OAM | CAQ | CAJ | H1 | 2.2° | 0.3° |
| OAM | CAQ | CAH | H2 | 4.3° | 0.0° |
| H2 | CAH | CAG | H3 | 0.1° | 0.1° |
| H3 | CAG | CAI | H4 | 2.6° | 0.1° |
| H9 | CAA | H10 | H11 | 120.0° | 119.9° |
