7VS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | N02 | sing | 1.40Å | 1.44Å | |
| N02 | C03 | doub | 1.31Å | 1.36Å | |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | C12 | sing | 1.48Å | 1.44Å | |
| C03 | C04 | sing | 1.48Å | 1.38Å | |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.34Å | 1.39Å | |
| C09 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | N06 | sing | 1.39Å | 1.37Å | |
| C05 | N06 | sing | 1.38Å | 1.32Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| N06 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | N02 | C03 | 120.1° | 120.0° |
| N02 | N01 | H1 | 109.5° | 120.0° |
| N02 | N01 | H2 | 109.5° | 120.0° |
| N02 | C03 | C12 | 120.7° | 121.5° |
| N02 | C03 | C04 | 121.3° | 121.5° |
| C10 | C11 | C12 | 120.7° | 119.4° |
| C11 | C10 | C09 | 120.5° | 120.3° |
| C11 | C10 | H8 | 119.7° | 119.8° |
| C10 | C11 | H9 | 119.6° | 120.2° |
| C11 | C12 | C03 | 123.7° | 121.5° |
| C11 | C12 | C07 | 118.4° | 120.4° |
| C12 | C11 | H9 | 119.6° | 120.3° |
| C12 | C03 | C04 | 118.0° | 117.0° |
| C03 | C12 | C07 | 117.9° | 118.2° |
| C03 | C04 | C05 | 119.5° | 119.0° |
| C03 | C04 | H4 | 120.3° | 120.5° |
| C10 | C09 | C08 | 120.8° | 120.6° |
| C10 | C09 | H7 | 119.6° | 119.7° |
| C09 | C10 | H8 | 119.7° | 119.9° |
| C12 | C07 | C08 | 119.2° | 119.4° |
| C12 | C07 | N06 | 122.4° | 119.5° |
| C04 | C05 | N06 | 125.0° | 122.0° |
| C05 | C04 | H4 | 120.3° | 120.5° |
| C04 | C05 | H5 | 117.5° | 119.0° |
| C09 | C08 | C07 | 120.3° | 119.8° |
| C09 | C08 | H6 | 119.8° | 120.1° |
| C08 | C09 | H7 | 119.6° | 119.6° |
| C08 | C07 | N06 | 118.4° | 121.0° |
| C07 | C08 | H6 | 119.8° | 120.1° |
| C07 | N06 | C05 | 117.3° | 121.7° |
| C07 | N06 | H3 | 121.3° | 119.2° |
| N06 | C05 | H5 | 117.5° | 119.0° |
| C05 | N06 | H3 | 121.4° | 119.1° |
| H1 | N01 | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | N02 | C03 | C12 | 169.1° | 180.0° |
| N01 | N02 | C03 | C04 | 14.7° | 0.4° |
| N02 | N01 | H1 | H2 | 120.0° | 179.6° |
| N02 | C03 | C12 | C11 | 4.7° | 13.1° |
| N02 | C03 | C12 | C04 | 176.4° | 179.7° |
| N02 | C03 | C12 | C07 | 177.8° | 167.7° |
| N02 | C03 | C04 | C05 | 177.6° | 167.3° |
| C03 | N02 | N01 | H1 | 180.0° | 180.0° |
| C03 | N02 | N01 | H2 | 60.0° | 0.4° |
| N02 | C03 | C04 | H4 | 2.4° | 12.8° |
| C10 | C11 | C12 | H9 | 180.0° | 179.8° |
| C10 | C11 | C12 | C03 | 179.2° | 179.5° |
| C11 | C10 | C09 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C07 | 1.7° | 0.4° |
| C11 | C10 | C09 | C08 | 2.3° | 0.0° |
| C11 | C10 | C09 | H7 | 177.7° | 179.9° |
| C11 | C12 | C03 | C07 | 177.5° | 179.2° |
| C11 | C12 | C03 | C04 | 178.9° | 167.2° |
| C12 | C11 | C10 | C09 | 1.2° | 0.2° |
| C11 | C12 | C07 | C08 | 3.1° | 0.4° |
| C11 | C12 | C07 | N06 | 178.5° | 180.0° |
| C12 | C11 | C10 | H8 | 178.7° | 179.8° |
| C12 | C03 | C04 | C05 | 1.2° | 12.4° |
| C03 | C12 | C07 | C08 | 179.3° | 179.5° |
| C03 | C12 | C07 | N06 | 0.9° | 0.8° |
| C12 | C03 | C04 | H4 | 178.8° | 167.5° |
| C03 | C12 | C11 | H9 | 0.9° | 0.6° |
| C04 | C03 | C12 | C07 | 1.4° | 12.0° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | N06 | 0.5° | 0.3° |
| C03 | C04 | C05 | H5 | 179.5° | 179.7° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 3.7° | 0.0° |
| C10 | C09 | C08 | H6 | 176.3° | 180.0° |
| C09 | C10 | C11 | H9 | 178.8° | 180.0° |
| C12 | C07 | C08 | C09 | 4.1° | 0.2° |
| C12 | C07 | C08 | N06 | 178.5° | 179.6° |
| C12 | C07 | N06 | C05 | 0.2° | 14.3° |
| C12 | C07 | C08 | H6 | 175.9° | 179.8° |
| C07 | C12 | C11 | H9 | 178.4° | 179.8° |
| C12 | C07 | N06 | H3 | 179.8° | 165.7° |
| C04 | C05 | N06 | C07 | 0.0° | 14.3° |
| C04 | C05 | N06 | H5 | 180.0° | 180.0° |
| C04 | C05 | N06 | H3 | 180.0° | 165.7° |
| C09 | C08 | C07 | H6 | 180.0° | 180.0° |
| C09 | C08 | C07 | N06 | 177.4° | 179.8° |
| C08 | C09 | C10 | H8 | 177.7° | 180.0° |
| C08 | C07 | N06 | C05 | 178.6° | 166.1° |
| C07 | C08 | C09 | H7 | 176.2° | 180.0° |
| C08 | C07 | N06 | H3 | 1.4° | 13.9° |
| C07 | N06 | C05 | H3 | 180.0° | 180.0° |
| C07 | N06 | C05 | H5 | 179.9° | 165.8° |
| N06 | C07 | C08 | H6 | 2.6° | 0.2° |
| N06 | C05 | C04 | H4 | 179.5° | 179.8° |
| H4 | C04 | C05 | H5 | 0.5° | 0.2° |
| H5 | C05 | N06 | H3 | 0.1° | 14.2° |
| H6 | C08 | C09 | H7 | 3.7° | 0.0° |
| H7 | C09 | C10 | H8 | 2.3° | 0.0° |
| H8 | C10 | C11 | H9 | 1.2° | 0.0° |
