3FW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N32 | C31 | doub | 1.29Å | 1.31Å | |
| N28 | C29 | doub | 1.32Å | 1.36Å | Aromatic |
| N28 | C27 | sing | 1.33Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C31 | C27 | sing | 1.48Å | 1.46Å | |
| C27 | N26 | doub | 1.33Å | 1.37Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| N26 | C25 | sing | 1.32Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | N6 | sing | 1.47Å | 1.46Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| N6 | H24 | sing | 1.01Å | 1.00Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| N32 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N32 | C31 | C27 | 122.5° | 120.0° |
| N32 | C31 | H28 | 118.7° | 120.0° |
| C31 | N32 | H29 | 112.0° | 120.0° |
| C29 | N28 | C27 | 121.1° | 120.8° |
| N28 | C29 | C30 | 120.0° | 119.2° |
| N28 | C29 | H20 | 120.0° | 120.4° |
| N28 | C27 | C31 | 120.3° | 119.2° |
| N28 | C27 | N26 | 119.4° | 121.6° |
| C29 | C30 | C25 | 117.9° | 118.5° |
| C30 | C29 | H20 | 120.0° | 120.4° |
| C29 | C30 | H21 | 121.1° | 120.8° |
| C31 | C27 | N26 | 120.3° | 119.2° |
| C27 | C31 | H28 | 118.8° | 120.0° |
| C27 | N26 | C25 | 121.6° | 120.7° |
| C30 | C25 | N26 | 119.8° | 119.2° |
| C30 | C25 | C24 | 122.0° | 120.4° |
| C25 | C30 | H21 | 121.0° | 120.7° |
| N26 | C25 | C24 | 118.2° | 120.4° |
| C25 | C24 | N6 | 110.0° | 109.5° |
| C25 | C24 | H18 | 109.4° | 109.4° |
| C25 | C24 | H19 | 109.3° | 109.5° |
| N6 | C24 | H18 | 109.4° | 109.5° |
| N6 | C24 | H19 | 109.3° | 109.5° |
| C24 | N6 | H24 | 109.5° | 111.0° |
| C24 | N6 | H2 | 109.5° | 111.0° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H24 | N6 | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N32 | C31 | C27 | N28 | 35.1° | 0.0° |
| N32 | C31 | C27 | H28 | 180.0° | 180.0° |
| N32 | C31 | C27 | N26 | 143.7° | 180.0° |
| N28 | C29 | C30 | H20 | 180.0° | 179.9° |
| C29 | N28 | C27 | C31 | 177.8° | 179.8° |
| C29 | N28 | C27 | N26 | 1.0° | 0.2° |
| N28 | C29 | C30 | C25 | 0.2° | 0.1° |
| N28 | C29 | C30 | H21 | 179.8° | 179.9° |
| C27 | N28 | C29 | C30 | 1.4° | 0.2° |
| N28 | C27 | C31 | N26 | 178.8° | 180.0° |
| N28 | C27 | N26 | C25 | 1.2° | 0.0° |
| C27 | N28 | C29 | H20 | 178.6° | 179.7° |
| N28 | C27 | C31 | H28 | 144.9° | 180.0° |
| C29 | C30 | C25 | H21 | 180.0° | 180.0° |
| C29 | C30 | C25 | N26 | 2.3° | 0.3° |
| C29 | C30 | C25 | C24 | 179.8° | 180.0° |
| C31 | C27 | N26 | C25 | 180.0° | 180.0° |
| C27 | C31 | N32 | H29 | 180.0° | 180.0° |
| C27 | N26 | C25 | C30 | 2.8° | 0.3° |
| C27 | N26 | C25 | C24 | 179.6° | 180.0° |
| N26 | C27 | C31 | H28 | 36.3° | 0.0° |
| C30 | C25 | N26 | C24 | 177.6° | 179.7° |
| C30 | C25 | C24 | N6 | 61.6° | 95.0° |
| C30 | C25 | C24 | H18 | 178.3° | 145.0° |
| C30 | C25 | C24 | H19 | 58.4° | 25.1° |
| C25 | C30 | C29 | H20 | 179.8° | 180.0° |
| N26 | C25 | C24 | N6 | 120.8° | 85.3° |
| N26 | C25 | C24 | H18 | 0.7° | 34.7° |
| N26 | C25 | C24 | H19 | 119.2° | 154.7° |
| N26 | C25 | C30 | H21 | 177.7° | 179.7° |
| C25 | C24 | N6 | H18 | 120.1° | 119.9° |
| C25 | C24 | N6 | H19 | 120.1° | 120.0° |
| C25 | C24 | H18 | H19 | 119.8° | 119.9° |
| C24 | C25 | C30 | H21 | 0.2° | 0.0° |
| C25 | C24 | N6 | H24 | 180.0° | 56.0° |
| C25 | C24 | N6 | H2 | 60.0° | 180.0° |
| N6 | C24 | H18 | H19 | 119.8° | 120.1° |
| C24 | N6 | H24 | H2 | 120.0° | 124.0° |
| H18 | C24 | N6 | H24 | 59.9° | 63.9° |
| H18 | C24 | N6 | H2 | 179.9° | 60.0° |
| H19 | C24 | N6 | H24 | 59.9° | 176.0° |
| H19 | C24 | N6 | H2 | 60.1° | 60.0° |
| H20 | C29 | C30 | H21 | 0.2° | 0.0° |
| H28 | C31 | N32 | H29 | 0.0° | 0.1° |
