ES7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N02 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | N09 | doub | 1.31Å | 1.44Å | Aromatic |
| C10 | N11 | sing | 1.38Å | 1.44Å | |
| C01 | N02 | sing | 1.46Å | 1.48Å | |
| N02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.45Å | Aromatic |
| C03 | C08 | sing | 1.40Å | 1.44Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.45Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.44Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.45Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.46Å | Aromatic |
| C08 | N09 | sing | 1.36Å | 1.36Å | Aromatic |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N11 | HN1A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C10 | N09 | 108.3° | 109.9° |
| N02 | C10 | N11 | 125.9° | 125.0° |
| C10 | N02 | C01 | 127.1° | 126.4° |
| C10 | N02 | C03 | 107.6° | 107.2° |
| N09 | C10 | N11 | 125.8° | 125.0° |
| C10 | N09 | C08 | 107.6° | 109.6° |
| C10 | N11 | HN11 | 109.5° | 120.0° |
| C10 | N11 | HN1A | 109.4° | 120.0° |
| C01 | N02 | C03 | 125.2° | 126.4° |
| N02 | C01 | H01 | 109.5° | 109.5° |
| N02 | C01 | H01A | 109.5° | 109.5° |
| N02 | C01 | H01B | 109.5° | 109.4° |
| N02 | C03 | C04 | 131.5° | 133.9° |
| N02 | C03 | C08 | 108.1° | 106.2° |
| C04 | C03 | C08 | 120.4° | 119.9° |
| C03 | C04 | C05 | 119.7° | 119.9° |
| C03 | C04 | H04 | 120.2° | 120.0° |
| C03 | C08 | C07 | 119.9° | 119.5° |
| C03 | C08 | N09 | 108.3° | 107.1° |
| C04 | C05 | C06 | 120.0° | 120.5° |
| C05 | C04 | H04 | 120.1° | 120.1° |
| C04 | C05 | H05 | 120.0° | 119.8° |
| C05 | C06 | C07 | 120.4° | 120.4° |
| C06 | C05 | H05 | 120.0° | 119.8° |
| C05 | C06 | H06 | 119.8° | 119.8° |
| C06 | C07 | C08 | 119.6° | 119.8° |
| C07 | C06 | H06 | 119.8° | 119.7° |
| C06 | C07 | H07 | 120.2° | 120.1° |
| C07 | C08 | N09 | 131.8° | 133.4° |
| C08 | C07 | H07 | 120.2° | 120.1° |
| H01 | C01 | H01A | 109.4° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| HN11 | N11 | HN1A | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C10 | N09 | N11 | 179.4° | 179.7° |
| C10 | N02 | C01 | C03 | 179.9° | 179.9° |
| C10 | N02 | C03 | C04 | 180.0° | 179.9° |
| C10 | N02 | C03 | C08 | 0.3° | 0.0° |
| N02 | C10 | N09 | C08 | 0.2° | 0.1° |
| C10 | N02 | C01 | H01 | 180.0° | 90.0° |
| C10 | N02 | C01 | H01A | 60.0° | 150.0° |
| C10 | N02 | C01 | H01B | 60.0° | 30.0° |
| N02 | C10 | N11 | HN11 | 179.3° | 0.0° |
| N02 | C10 | N11 | HN1A | 60.8° | 180.0° |
| N09 | C10 | N02 | C01 | 180.0° | 180.0° |
| N09 | C10 | N02 | C03 | 0.1° | 0.1° |
| C10 | N09 | C08 | C03 | 0.3° | 0.0° |
| C10 | N09 | C08 | C07 | 180.0° | 180.0° |
| N09 | C10 | N11 | HN11 | 0.0° | 179.6° |
| N09 | C10 | N11 | HN1A | 120.0° | 0.4° |
| N11 | C10 | N02 | C01 | 0.6° | 0.3° |
| N11 | C10 | N02 | C03 | 179.5° | 179.7° |
| N11 | C10 | N09 | C08 | 179.2° | 179.7° |
| C10 | N11 | HN11 | HN1A | 120.0° | 180.0° |
| C01 | N02 | C03 | C04 | 0.1° | 0.1° |
| C01 | N02 | C03 | C08 | 179.8° | 180.0° |
| N02 | C01 | H01 | H01A | 120.0° | 120.0° |
| N02 | C01 | H01 | H01B | 120.0° | 119.9° |
| N02 | C01 | H01A | H01B | 120.0° | 120.0° |
| N02 | C03 | C04 | C08 | 179.6° | 179.9° |
| N02 | C03 | C04 | C05 | 180.0° | 180.0° |
| N02 | C03 | C08 | C07 | 179.9° | 180.0° |
| N02 | C03 | C08 | N09 | 0.4° | 0.0° |
| C03 | N02 | C01 | H01 | 0.2° | 90.1° |
| C03 | N02 | C01 | H01A | 120.1° | 29.9° |
| C03 | N02 | C01 | H01B | 119.9° | 150.0° |
| N02 | C03 | C04 | H04 | 0.0° | 0.2° |
| C03 | C04 | C05 | H04 | 180.0° | 179.8° |
| C03 | C04 | C05 | C06 | 0.3° | 0.1° |
| C04 | C03 | C08 | C07 | 0.2° | 0.0° |
| C04 | C03 | C08 | N09 | 179.9° | 179.9° |
| C03 | C04 | C05 | H05 | 179.7° | 180.0° |
| C08 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C08 | C07 | C06 | 0.1° | 0.0° |
| C03 | C08 | C07 | N09 | 179.6° | 179.9° |
| C08 | C03 | C04 | H04 | 179.6° | 179.9° |
| C03 | C08 | C07 | H07 | 179.9° | 179.9° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C06 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.2° | 0.0° |
| C06 | C05 | C04 | H04 | 179.7° | 179.9° |
| C05 | C06 | C07 | H07 | 179.8° | 179.9° |
| C06 | C07 | C08 | H07 | 180.0° | 179.9° |
| C06 | C07 | C08 | N09 | 179.5° | 179.9° |
| C07 | C06 | C05 | H05 | 180.0° | 180.0° |
| C08 | C07 | C06 | H06 | 179.8° | 180.0° |
| N09 | C08 | C07 | H07 | 0.5° | 0.1° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H04 | C04 | C05 | H05 | 0.3° | 0.1° |
| H05 | C05 | C06 | H06 | 0.0° | 0.1° |
| H06 | C06 | C07 | H07 | 0.2° | 0.0° |
