7RT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C03 | doub | 1.22Å | 1.19Å | |
| C03 | C04 | sing | 1.47Å | 1.52Å | |
| C03 | N02 | sing | 1.35Å | 1.44Å | |
| C01 | N02 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | doub | 1.41Å | 1.42Å | Aromatic |
| C04 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.46Å | 1.42Å | Aromatic |
| C06 | C07 | doub | 1.35Å | 1.39Å | Aromatic |
| C05 | C09 | sing | 1.41Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | N08 | sing | 1.37Å | 1.33Å | Aromatic |
| C09 | N08 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N02 | H9 | sing | 0.97Å | 1.00Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C03 | C04 | 120.9° | 119.9° |
| O13 | C03 | N02 | 121.1° | 120.0° |
| C04 | C03 | N02 | 118.1° | 120.0° |
| C03 | C04 | C05 | 121.1° | 120.4° |
| C03 | C04 | C12 | 118.4° | 120.3° |
| C03 | N02 | C01 | 119.1° | 120.0° |
| C03 | N02 | H9 | 120.5° | 120.0° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.4° |
| C01 | N02 | H9 | 120.4° | 120.0° |
| C05 | C04 | C12 | 120.6° | 119.3° |
| C04 | C05 | C06 | 134.4° | 134.1° |
| C04 | C05 | C09 | 119.6° | 119.8° |
| C04 | C12 | C11 | 119.8° | 120.2° |
| C04 | C12 | H8 | 120.1° | 119.9° |
| C05 | C06 | C07 | 106.3° | 107.0° |
| C06 | C05 | C09 | 106.0° | 106.1° |
| C05 | C06 | H5 | 126.8° | 126.6° |
| C06 | C07 | N08 | 109.0° | 109.8° |
| C07 | C06 | H5 | 126.8° | 126.4° |
| C06 | C07 | H6 | 125.5° | 125.0° |
| C05 | C09 | N08 | 109.2° | 107.1° |
| C05 | C09 | C10 | 120.0° | 119.5° |
| C12 | C11 | C10 | 119.9° | 120.9° |
| C12 | C11 | H7 | 120.0° | 119.6° |
| C11 | C12 | H8 | 120.1° | 119.9° |
| C07 | N08 | C09 | 109.5° | 109.9° |
| N08 | C07 | H6 | 125.5° | 125.1° |
| C07 | N08 | H10 | 125.3° | 125.0° |
| N08 | C09 | C10 | 130.8° | 133.4° |
| C09 | N08 | H10 | 125.2° | 125.1° |
| C09 | C10 | C11 | 120.1° | 120.2° |
| C09 | C10 | H1 | 120.0° | 119.9° |
| C11 | C10 | H1 | 119.9° | 119.9° |
| C10 | C11 | H7 | 120.0° | 119.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.4° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C03 | C04 | N02 | 179.2° | 180.0° |
| O13 | C03 | N02 | C01 | 0.2° | 0.0° |
| O13 | C03 | C04 | C05 | 32.7° | 0.0° |
| O13 | C03 | C04 | C12 | 146.9° | 179.8° |
| O13 | C03 | N02 | H9 | 179.8° | 180.0° |
| C04 | C03 | N02 | C01 | 179.3° | 180.0° |
| C03 | C04 | C05 | C12 | 179.6° | 179.8° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | C09 | 179.7° | 180.0° |
| C03 | C04 | C12 | C11 | 179.8° | 180.0° |
| C03 | C04 | C12 | H8 | 0.1° | 0.3° |
| C04 | C03 | N02 | H9 | 0.7° | 0.0° |
| C03 | N02 | C01 | H9 | 180.0° | 180.0° |
| N02 | C03 | C04 | C05 | 148.1° | 180.0° |
| N02 | C03 | C04 | C12 | 32.2° | 0.3° |
| C03 | N02 | C01 | H2 | 180.0° | 60.1° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| C03 | N02 | C01 | H4 | 60.0° | 180.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H4 | 120.0° | 119.9° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C04 | C05 | C06 | C09 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 179.9° | 179.9° |
| C05 | C04 | C12 | C11 | 0.2° | 0.2° |
| C04 | C05 | C09 | N08 | 180.0° | 180.0° |
| C04 | C05 | C09 | C10 | 0.1° | 0.1° |
| C04 | C05 | C06 | H5 | 0.1° | 0.0° |
| C05 | C04 | C12 | H8 | 179.8° | 179.9° |
| C12 | C04 | C05 | C06 | 179.9° | 179.8° |
| C12 | C04 | C05 | C09 | 0.1° | 0.2° |
| C04 | C12 | C11 | H8 | 180.0° | 179.7° |
| C04 | C12 | C11 | C10 | 0.5° | 0.0° |
| C04 | C12 | C11 | H7 | 179.5° | 180.0° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | N08 | 0.1° | 0.1° |
| C06 | C05 | C09 | N08 | 0.0° | 0.0° |
| C06 | C05 | C09 | C10 | 179.8° | 179.9° |
| C05 | C06 | C07 | H6 | 179.9° | 179.9° |
| C07 | C06 | C05 | C09 | 0.0° | 0.1° |
| C06 | C07 | N08 | H6 | 180.0° | 179.8° |
| C06 | C07 | N08 | C09 | 0.2° | 0.1° |
| C06 | C07 | N08 | H10 | 179.8° | 179.9° |
| C05 | C09 | N08 | C07 | 0.1° | 0.1° |
| C05 | C09 | N08 | C10 | 179.8° | 179.9° |
| C05 | C09 | C10 | C11 | 0.4° | 0.3° |
| C05 | C09 | C10 | H1 | 179.6° | 180.0° |
| C09 | C05 | C06 | H5 | 179.9° | 180.0° |
| C05 | C09 | N08 | H10 | 179.9° | 180.0° |
| C12 | C11 | C10 | C09 | 0.6° | 0.3° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.4° | 180.0° |
| C07 | N08 | C09 | H10 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 179.7° | 180.0° |
| N08 | C07 | C06 | H5 | 179.9° | 180.0° |
| N08 | C09 | C10 | C11 | 179.8° | 179.7° |
| N08 | C09 | C10 | H1 | 0.2° | 0.1° |
| C09 | N08 | C07 | H6 | 179.9° | 179.9° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | H7 | 179.4° | 179.7° |
| C10 | C09 | N08 | H10 | 0.3° | 0.0° |
| C10 | C11 | C12 | H8 | 179.5° | 179.7° |
| H1 | C10 | C11 | H7 | 0.6° | 0.1° |
| H2 | C01 | H3 | H4 | 119.9° | 120.0° |
| H2 | C01 | N02 | H9 | 0.0° | 120.0° |
| H3 | C01 | N02 | H9 | 120.0° | 120.0° |
| H4 | C01 | N02 | H9 | 120.0° | 0.0° |
| H5 | C06 | C07 | H6 | 0.1° | 0.2° |
| H6 | C07 | N08 | H10 | 0.1° | 0.1° |
| H7 | C11 | C12 | H8 | 0.5° | 0.3° |
