6OJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.44Å | |
| N02 | C03 | sing | 1.37Å | 1.34Å | Aromatic |
| N02 | C14 | sing | 1.37Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.47Å | 1.47Å | |
| C03 | C08 | doub | 1.37Å | 1.45Å | Aromatic |
| C04 | N05 | sing | 1.35Å | 1.36Å | |
| C04 | O17 | doub | 1.22Å | 1.21Å | |
| N05 | C06 | sing | 1.46Å | 1.41Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C07 | C08 | sing | 1.51Å | 1.55Å | |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C14 | sing | 1.42Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | CL2 | sing | 1.74Å | 1.70Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | CL1 | sing | 1.74Å | 1.73Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| N05 | H05 | sing | 0.97Å | 1.00Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C06 | H06B | sing | 1.09Å | 1.10Å | |
| C07 | H07B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 122.8° | 125.8° |
| C01 | N02 | C14 | 129.1° | 125.8° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.4° | 109.4° |
| C03 | N02 | C14 | 108.1° | 108.4° |
| N02 | C03 | C04 | 129.1° | 130.2° |
| N02 | C03 | C08 | 109.2° | 109.4° |
| N02 | C14 | C09 | 109.4° | 107.7° |
| N02 | C14 | C13 | 132.5° | 131.5° |
| C04 | C03 | C08 | 121.7° | 120.4° |
| C03 | C04 | N05 | 109.5° | 117.0° |
| C03 | C04 | O17 | 123.5° | 121.5° |
| C03 | C08 | C07 | 121.8° | 121.4° |
| C03 | C08 | C09 | 106.5° | 107.6° |
| N05 | C04 | O17 | 126.7° | 121.5° |
| C04 | N05 | C06 | 140.9° | 122.5° |
| C04 | N05 | H05 | 109.6° | 118.7° |
| N05 | C06 | C07 | 109.6° | 112.5° |
| C06 | N05 | H05 | 109.6° | 118.8° |
| N05 | C06 | H06A | 109.4° | 108.9° |
| N05 | C06 | H06B | 109.4° | 108.9° |
| C06 | C07 | C08 | 115.5° | 108.9° |
| C07 | C06 | H06A | 109.4° | 108.9° |
| C06 | C07 | H07A | 107.9° | 109.5° |
| C07 | C06 | H06B | 109.4° | 108.8° |
| C06 | C07 | H07B | 108.0° | 109.6° |
| C07 | C08 | C09 | 131.7° | 131.0° |
| C08 | C07 | H07A | 108.0° | 109.6° |
| C08 | C07 | H07B | 108.0° | 109.6° |
| C08 | C09 | C10 | 130.1° | 132.3° |
| C08 | C09 | C14 | 106.9° | 106.8° |
| C10 | C09 | C14 | 123.0° | 120.8° |
| C09 | C10 | C11 | 119.1° | 117.1° |
| C09 | C10 | H10 | 120.4° | 121.4° |
| C09 | C14 | C13 | 118.1° | 120.8° |
| C10 | C11 | C12 | 118.4° | 122.2° |
| C11 | C10 | H10 | 120.5° | 121.5° |
| C10 | C11 | H11 | 120.8° | 118.9° |
| C11 | C12 | C13 | 122.8° | 122.1° |
| C11 | C12 | CL2 | 114.8° | 118.9° |
| C12 | C11 | H11 | 120.8° | 118.9° |
| C13 | C12 | CL2 | 122.4° | 118.9° |
| C12 | C13 | C14 | 118.5° | 117.0° |
| C12 | C13 | CL1 | 122.1° | 121.5° |
| C14 | C13 | CL1 | 119.3° | 121.5° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H06A | C06 | H06B | 109.5° | 108.8° |
| H07A | C07 | H07B | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C14 | 178.5° | 179.7° |
| C01 | N02 | C03 | C04 | 0.5° | 0.0° |
| C01 | N02 | C03 | C08 | 178.6° | 180.0° |
| C01 | N02 | C14 | C09 | 178.5° | 179.9° |
| C01 | N02 | C14 | C13 | 1.8° | 0.7° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C03 | C04 | C08 | 179.1° | 180.0° |
| N02 | C03 | C04 | N05 | 173.3° | 166.8° |
| N02 | C03 | C04 | O17 | 0.8° | 13.3° |
| N02 | C03 | C08 | C07 | 179.3° | 179.9° |
| N02 | C03 | C08 | C09 | 0.1° | 0.1° |
| C03 | N02 | C14 | C09 | 0.1° | 0.4° |
| C03 | N02 | C14 | C13 | 179.7° | 179.6° |
| C03 | N02 | C01 | H011 | 180.0° | 90.0° |
| C03 | N02 | C01 | H012 | 60.0° | 150.0° |
| C03 | N02 | C01 | H013 | 60.0° | 30.0° |
| C14 | N02 | C03 | C04 | 179.1° | 179.6° |
| C14 | N02 | C03 | C08 | 0.1° | 0.3° |
| N02 | C14 | C09 | C08 | 0.1° | 0.4° |
| N02 | C14 | C09 | C10 | 179.3° | 179.7° |
| N02 | C14 | C09 | C13 | 179.7° | 179.3° |
| N02 | C14 | C13 | C12 | 178.9° | 179.6° |
| N02 | C14 | C13 | CL1 | 0.8° | 0.7° |
| C14 | N02 | C01 | H011 | 1.8° | 90.3° |
| C14 | N02 | C01 | H012 | 118.2° | 29.6° |
| C14 | N02 | C01 | H013 | 121.8° | 149.7° |
| C03 | C04 | N05 | O17 | 173.9° | 179.9° |
| C03 | C04 | N05 | C06 | 9.7° | 7.5° |
| C04 | C03 | C08 | C07 | 0.1° | 0.1° |
| C04 | C03 | C08 | C09 | 179.2° | 179.9° |
| C03 | C04 | N05 | H05 | 170.3° | 172.7° |
| C08 | C03 | C04 | N05 | 7.6° | 13.3° |
| C08 | C03 | C04 | O17 | 178.3° | 166.7° |
| C03 | C08 | C07 | C06 | 7.9° | 29.5° |
| C03 | C08 | C07 | C09 | 179.1° | 180.0° |
| C03 | C08 | C09 | C10 | 179.3° | 179.9° |
| C03 | C08 | C09 | C14 | 0.0° | 0.2° |
| C03 | C08 | C07 | H07A | 128.8° | 149.3° |
| C03 | C08 | C07 | H07B | 113.0° | 90.4° |
| C04 | N05 | C06 | H05 | 180.0° | 179.9° |
| C04 | N05 | C06 | C07 | 1.9° | 38.6° |
| C04 | N05 | C06 | H06A | 121.9° | 82.2° |
| C04 | N05 | C06 | H06B | 118.1° | 159.3° |
| O17 | C04 | N05 | C06 | 176.5° | 172.6° |
| O17 | C04 | N05 | H05 | 3.5° | 7.3° |
| N05 | C06 | C07 | H06A | 120.0° | 120.9° |
| N05 | C06 | C07 | H06B | 120.0° | 120.7° |
| N05 | C06 | C07 | C08 | 7.2° | 46.5° |
| N05 | C06 | H06A | H06B | 119.9° | 118.6° |
| N05 | C06 | C07 | H07A | 128.1° | 166.3° |
| N05 | C06 | C07 | H07B | 113.7° | 73.4° |
| C06 | C07 | C08 | H07A | 120.9° | 119.8° |
| C06 | C07 | C08 | H07B | 120.9° | 119.9° |
| C06 | C07 | C08 | C09 | 173.0° | 150.4° |
| C07 | C06 | N05 | H05 | 178.1° | 141.5° |
| C07 | C06 | H06A | H06B | 119.9° | 118.4° |
| C06 | C07 | H07A | H07B | 117.2° | 120.3° |
| C07 | C08 | C09 | C10 | 1.5° | 0.0° |
| C07 | C08 | C09 | C14 | 179.2° | 179.8° |
| C08 | C07 | C06 | H06A | 112.8° | 74.4° |
| C08 | C07 | H07A | H07B | 117.3° | 120.3° |
| C08 | C07 | C06 | H06B | 127.2° | 167.2° |
| C08 | C09 | C10 | C14 | 179.2° | 179.8° |
| C08 | C09 | C10 | C11 | 179.7° | 180.0° |
| C08 | C09 | C14 | C13 | 179.8° | 179.7° |
| C09 | C08 | C07 | H07A | 52.1° | 30.7° |
| C09 | C08 | C07 | H07B | 66.1° | 89.7° |
| C08 | C09 | C10 | H10 | 0.3° | 0.0° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.8° | 0.0° |
| C10 | C09 | C14 | C13 | 0.4° | 0.5° |
| C09 | C10 | C11 | H11 | 179.2° | 180.0° |
| C14 | C09 | C10 | C11 | 0.5° | 0.2° |
| C09 | C14 | C13 | C12 | 0.7° | 0.5° |
| C09 | C14 | C13 | CL1 | 178.8° | 179.7° |
| C14 | C09 | C10 | H10 | 179.5° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.1° | 0.0° |
| C10 | C11 | C12 | CL2 | 178.6° | 180.0° |
| C11 | C12 | C13 | CL2 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 1.1° | 0.3° |
| C11 | C12 | C13 | CL1 | 179.1° | 180.0° |
| C12 | C11 | C10 | H10 | 179.2° | 179.9° |
| C12 | C13 | C14 | CL1 | 178.1° | 179.8° |
| C13 | C12 | C11 | H11 | 178.9° | 180.0° |
| CL2 | C12 | C13 | C14 | 178.7° | 179.7° |
| CL2 | C12 | C13 | CL1 | 0.6° | 0.1° |
| CL2 | C12 | C11 | H11 | 1.4° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H05 | N05 | C06 | H06A | 58.1° | 97.7° |
| H05 | N05 | C06 | H06B | 61.9° | 20.8° |
| H06A | C06 | C07 | H07A | 8.1° | 45.4° |
| H06A | C06 | C07 | H07B | 126.3° | 165.7° |
| H07A | C07 | C06 | H06B | 111.9° | 73.0° |
| H06B | C06 | C07 | H07B | 6.3° | 47.4° |
| H10 | C10 | C11 | H11 | 0.8° | 0.1° |
