1FB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAV | sing | 1.53Å | 1.56Å | |
| CAV | NAU | sing | 1.46Å | 1.54Å | |
| CAV | CAB | sing | 1.53Å | 1.51Å | |
| CAV | CAA | sing | 1.53Å | 1.53Å | |
| NAU | NAM | sing | 1.40Å | 1.22Å | Aromatic |
| NAU | C4 | sing | 1.36Å | 1.35Å | Aromatic |
| NAM | CAR | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.38Å | Aromatic |
| CAR | C5 | sing | 1.46Å | 1.34Å | Aromatic |
| CAR | OAN | sing | 1.36Å | 1.34Å | |
| C2 | N1 | doub | 1.32Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.36Å | Aromatic |
| OAN | CAQ | sing | 1.36Å | 1.36Å | |
| C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | NAD | sing | 1.38Å | 1.34Å | |
| CAQ | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | CAO | sing | 1.74Å | 1.73Å | |
| CAO | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| NAD | H11 | sing | 0.97Å | 1.00Å | |
| NAD | H12 | sing | 0.97Å | 1.00Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAV | NAU | 109.7° | 109.5° |
| CAC | CAV | CAB | 109.7° | 109.4° |
| CAC | CAV | CAA | 106.1° | 109.5° |
| CAV | CAC | H7 | 109.5° | 109.5° |
| CAV | CAC | H8 | 109.5° | 109.5° |
| CAV | CAC | H9 | 109.4° | 109.5° |
| NAU | CAV | CAB | 110.1° | 109.5° |
| NAU | CAV | CAA | 112.5° | 109.5° |
| CAV | NAU | NAM | 121.3° | 125.4° |
| CAV | NAU | C4 | 128.9° | 125.3° |
| CAB | CAV | CAA | 108.6° | 109.4° |
| CAV | CAB | H4 | 109.5° | 109.5° |
| CAV | CAB | H5 | 109.5° | 109.5° |
| CAV | CAB | H6 | 109.4° | 109.5° |
| CAV | CAA | H1 | 109.5° | 109.4° |
| CAV | CAA | H2 | 109.5° | 109.5° |
| CAV | CAA | H3 | 109.4° | 109.5° |
| NAM | NAU | C4 | 109.8° | 109.3° |
| NAU | NAM | CAR | 109.4° | 110.0° |
| NAU | C4 | N3 | 130.6° | 134.6° |
| NAU | C4 | C5 | 107.7° | 106.8° |
| NAM | CAR | C5 | 109.8° | 107.4° |
| NAM | CAR | OAN | 115.6° | 126.3° |
| N3 | C4 | C5 | 121.7° | 118.7° |
| C4 | N3 | C2 | 119.4° | 120.7° |
| C4 | C5 | CAR | 103.3° | 106.5° |
| C4 | C5 | C6 | 120.3° | 118.5° |
| N3 | C2 | N1 | 118.2° | 122.7° |
| N3 | C2 | H10 | 120.9° | 118.6° |
| C5 | CAR | OAN | 134.4° | 126.3° |
| CAR | C5 | C6 | 136.4° | 135.0° |
| CAR | OAN | CAQ | 119.6° | 118.0° |
| C2 | N1 | C6 | 119.7° | 121.1° |
| N1 | C2 | H10 | 120.9° | 118.7° |
| C5 | C6 | N1 | 120.6° | 118.3° |
| C5 | C6 | NAD | 120.3° | 120.8° |
| OAN | CAQ | CAJ | 115.3° | 120.0° |
| OAN | CAQ | CAH | 124.7° | 120.1° |
| N1 | C6 | NAD | 119.0° | 120.8° |
| C6 | NAD | H11 | 109.5° | 120.0° |
| C6 | NAD | H12 | 109.5° | 120.0° |
| CAJ | CAQ | CAH | 119.9° | 119.9° |
| CAQ | CAJ | CAO | 120.7° | 119.9° |
| CAQ | CAJ | H13 | 119.7° | 120.1° |
| CAQ | CAH | CAF | 119.2° | 120.0° |
| CAQ | CAH | H16 | 120.4° | 120.0° |
| CAJ | CAO | CL1 | 118.9° | 120.0° |
| CAJ | CAO | CAG | 119.5° | 120.1° |
| CAO | CAJ | H13 | 119.7° | 120.0° |
| CL1 | CAO | CAG | 121.6° | 120.0° |
| CAO | CAG | CAF | 120.1° | 120.1° |
| CAO | CAG | H14 | 120.0° | 120.0° |
| CAH | CAF | CAG | 120.7° | 120.0° |
| CAH | CAF | H15 | 119.7° | 120.0° |
| CAF | CAH | H16 | 120.4° | 120.0° |
| CAF | CAG | H14 | 120.0° | 120.0° |
| CAG | CAF | H15 | 119.7° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.4° |
| H4 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.4° |
| H8 | CAC | H9 | 109.5° | 109.4° |
| H11 | NAD | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAV | NAU | CAB | 120.8° | 120.0° |
| CAC | CAV | NAU | CAA | 117.8° | 120.1° |
| CAC | CAV | CAB | CAA | 115.5° | 120.0° |
| CAC | CAV | NAU | NAM | 75.1° | 119.9° |
| CAC | CAV | NAU | C4 | 105.1° | 59.7° |
| CAC | CAV | CAA | H1 | 180.0° | 60.1° |
| CAC | CAV | CAA | H2 | 60.0° | 60.0° |
| CAC | CAV | CAA | H3 | 60.0° | 180.0° |
| CAC | CAV | CAB | H4 | 180.0° | 180.0° |
| CAC | CAV | CAB | H5 | 60.0° | 60.0° |
| CAC | CAV | CAB | H6 | 60.0° | 60.1° |
| CAV | CAC | H7 | H8 | 120.0° | 120.1° |
| CAV | CAC | H7 | H9 | 120.0° | 120.0° |
| CAV | CAC | H8 | H9 | 120.0° | 120.0° |
| NAU | CAV | CAB | CAA | 123.6° | 120.0° |
| CAV | NAU | NAM | C4 | 179.8° | 179.7° |
| CAV | NAU | NAM | CAR | 179.9° | 180.0° |
| CAV | NAU | C4 | N3 | 1.4° | 0.1° |
| CAV | NAU | C4 | C5 | 178.9° | 180.0° |
| NAU | CAV | CAA | H1 | 60.0° | 60.0° |
| NAU | CAV | CAA | H2 | 180.0° | 180.0° |
| NAU | CAV | CAA | H3 | 60.0° | 60.0° |
| NAU | CAV | CAB | H4 | 59.1° | 60.0° |
| NAU | CAV | CAB | H5 | 60.9° | 179.9° |
| NAU | CAV | CAB | H6 | 179.1° | 60.0° |
| NAU | CAV | CAC | H7 | 180.0° | 59.9° |
| NAU | CAV | CAC | H8 | 60.0° | 180.0° |
| NAU | CAV | CAC | H9 | 60.0° | 60.0° |
| CAB | CAV | NAU | NAM | 164.1° | 0.1° |
| CAB | CAV | NAU | C4 | 15.7° | 179.7° |
| CAB | CAV | CAA | H1 | 62.2° | 180.0° |
| CAB | CAV | CAA | H2 | 57.8° | 60.0° |
| CAB | CAV | CAA | H3 | 177.8° | 60.0° |
| CAV | CAB | H4 | H5 | 120.0° | 120.0° |
| CAV | CAB | H4 | H6 | 120.0° | 120.0° |
| CAV | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAV | CAC | H7 | 58.9° | 60.1° |
| CAB | CAV | CAC | H8 | 61.1° | 60.0° |
| CAB | CAV | CAC | H9 | 178.9° | 180.0° |
| CAA | CAV | NAU | NAM | 42.8° | 120.0° |
| CAA | CAV | NAU | C4 | 137.0° | 60.4° |
| CAV | CAA | H1 | H2 | 120.0° | 120.0° |
| CAV | CAA | H1 | H3 | 120.0° | 120.0° |
| CAV | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAV | CAB | H4 | 64.5° | 60.0° |
| CAA | CAV | CAB | H5 | 175.5° | 60.0° |
| CAA | CAV | CAB | H6 | 55.5° | 180.0° |
| CAA | CAV | CAC | H7 | 58.2° | 180.0° |
| CAA | CAV | CAC | H8 | 178.2° | 60.0° |
| CAA | CAV | CAC | H9 | 61.8° | 60.0° |
| NAM | NAU | C4 | N3 | 178.4° | 179.8° |
| NAM | NAU | C4 | C5 | 1.3° | 0.3° |
| NAU | NAM | CAR | C5 | 0.8° | 0.1° |
| NAU | NAM | CAR | OAN | 177.2° | 180.0° |
| C4 | NAU | NAM | CAR | 0.3° | 0.3° |
| NAU | C4 | N3 | C5 | 179.7° | 179.9° |
| NAU | C4 | N3 | C2 | 179.4° | 179.9° |
| NAU | C4 | C5 | CAR | 1.7° | 0.2° |
| NAU | C4 | C5 | C6 | 179.7° | 180.0° |
| NAM | CAR | C5 | C4 | 1.5° | 0.0° |
| NAM | CAR | C5 | OAN | 175.4° | 179.9° |
| NAM | CAR | C5 | C6 | 179.8° | 179.7° |
| NAM | CAR | OAN | CAQ | 108.0° | 3.8° |
| N3 | C4 | C5 | CAR | 178.1° | 179.9° |
| C4 | N3 | C2 | N1 | 2.0° | 0.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | N3 | C2 | H10 | 178.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.9° | 0.0° |
| C4 | C5 | CAR | C6 | 178.3° | 179.7° |
| C4 | C5 | CAR | OAN | 176.9° | 179.8° |
| C4 | C5 | C6 | N1 | 1.3° | 0.1° |
| C4 | C5 | C6 | NAD | 179.7° | 180.0° |
| N3 | C2 | N1 | H10 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 2.8° | 0.0° |
| C5 | CAR | OAN | CAQ | 76.8° | 176.3° |
| CAR | C5 | C6 | N1 | 176.7° | 179.8° |
| CAR | C5 | C6 | NAD | 1.6° | 0.3° |
| OAN | CAR | C5 | C6 | 4.8° | 0.1° |
| CAR | OAN | CAQ | CAJ | 170.1° | 173.6° |
| CAR | OAN | CAQ | CAH | 11.5° | 6.7° |
| C2 | N1 | C6 | C5 | 2.4° | 0.1° |
| C2 | N1 | C6 | NAD | 179.2° | 180.0° |
| C5 | C6 | N1 | NAD | 178.4° | 179.9° |
| C5 | C6 | NAD | H11 | 178.4° | 180.0° |
| C5 | C6 | NAD | H12 | 58.4° | 0.1° |
| OAN | CAQ | CAJ | CAH | 178.4° | 179.7° |
| OAN | CAQ | CAJ | CAO | 177.1° | 180.0° |
| OAN | CAQ | CAH | CAF | 177.3° | 179.7° |
| OAN | CAQ | CAJ | H13 | 2.9° | 0.0° |
| OAN | CAQ | CAH | H16 | 2.7° | 0.0° |
| C6 | N1 | C2 | H10 | 177.2° | 179.9° |
| N1 | C6 | NAD | H11 | 0.0° | 0.1° |
| N1 | C6 | NAD | H12 | 120.0° | 180.0° |
| C6 | NAD | H11 | H12 | 120.0° | 179.9° |
| CAQ | CAJ | CAO | H13 | 180.0° | 180.0° |
| CAQ | CAJ | CAO | CL1 | 179.5° | 180.0° |
| CAQ | CAJ | CAO | CAG | 0.7° | 0.0° |
| CAJ | CAQ | CAH | CAF | 1.0° | 0.6° |
| CAJ | CAQ | CAH | H16 | 179.0° | 179.7° |
| CAH | CAQ | CAJ | CAO | 1.3° | 0.2° |
| CAQ | CAH | CAF | H16 | 180.0° | 179.7° |
| CAQ | CAH | CAF | CAG | 0.1° | 0.6° |
| CAH | CAQ | CAJ | H13 | 178.7° | 179.7° |
| CAQ | CAH | CAF | H15 | 179.9° | 179.7° |
| CAJ | CAO | CL1 | CAG | 179.8° | 180.0° |
| CAJ | CAO | CAG | CAF | 0.2° | 0.0° |
| CAJ | CAO | CAG | H14 | 179.8° | 180.0° |
| CL1 | CAO | CAG | CAF | 179.6° | 180.0° |
| CL1 | CAO | CAJ | H13 | 0.5° | 0.0° |
| CL1 | CAO | CAG | H14 | 0.4° | 0.0° |
| CAO | CAG | CAF | CAH | 0.5° | 0.3° |
| CAO | CAG | CAF | H14 | 180.0° | 180.0° |
| CAG | CAO | CAJ | H13 | 179.3° | 180.0° |
| CAO | CAG | CAF | H15 | 179.5° | 180.0° |
| CAH | CAF | CAG | H15 | 180.0° | 179.7° |
| CAH | CAF | CAG | H14 | 179.5° | 179.7° |
| CAG | CAF | CAH | H16 | 179.9° | 179.7° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H14 | CAG | CAF | H15 | 0.5° | 0.0° |
| H15 | CAF | CAH | H16 | 0.1° | 0.1° |






