CN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | N03 | doub | 1.32Å | 1.33Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| N03 | C02 | sing | 1.32Å | 1.33Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
| C06 | C14 | sing | 1.47Å | 1.46Å | Aromatic |
| C07 | N08 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C04 | C05 | 120.6° | 121.0° |
| C04 | N03 | C02 | 121.5° | 122.5° |
| N03 | C04 | H6 | 119.7° | 119.5° |
| C04 | C05 | C06 | 119.2° | 118.7° |
| C05 | C04 | H6 | 119.7° | 119.5° |
| C04 | C05 | H7 | 120.4° | 120.6° |
| N03 | C02 | C01 | 119.3° | 119.7° |
| N03 | C02 | C07 | 121.5° | 120.5° |
| C05 | C06 | C07 | 119.0° | 118.8° |
| C05 | C06 | C14 | 134.9° | 134.6° |
| C06 | C05 | H7 | 120.4° | 120.6° |
| C01 | C02 | C07 | 119.2° | 119.7° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C02 | C07 | C06 | 118.3° | 118.4° |
| C02 | C07 | N08 | 133.0° | 133.3° |
| C07 | C06 | C14 | 106.1° | 106.5° |
| C06 | C07 | N08 | 108.7° | 108.3° |
| C06 | C14 | C13 | 133.4° | 133.5° |
| C06 | C14 | C09 | 106.6° | 106.4° |
| C07 | N08 | C09 | 110.3° | 110.3° |
| C07 | N08 | H10 | 124.8° | 124.8° |
| C13 | C14 | C09 | 119.9° | 120.0° |
| C14 | C13 | C12 | 120.1° | 119.8° |
| C14 | C13 | H2 | 120.0° | 120.1° |
| C14 | C09 | N08 | 108.3° | 108.4° |
| C14 | C09 | C10 | 120.0° | 119.2° |
| C13 | C12 | C11 | 119.9° | 120.3° |
| C12 | C13 | H2 | 119.9° | 120.1° |
| C13 | C12 | H9 | 120.1° | 119.9° |
| N08 | C09 | C10 | 131.7° | 132.3° |
| C09 | N08 | H10 | 124.9° | 124.8° |
| C09 | C10 | C11 | 119.9° | 120.1° |
| C09 | C10 | H1 | 120.1° | 119.9° |
| C12 | C11 | C10 | 120.2° | 120.5° |
| C12 | C11 | H8 | 119.9° | 119.7° |
| C11 | C12 | H9 | 120.1° | 119.8° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C10 | C11 | H8 | 119.9° | 119.7° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C04 | C05 | H6 | 180.0° | 179.9° |
| N03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C04 | N03 | C02 | C01 | 179.9° | 180.0° |
| C04 | N03 | C02 | C07 | 0.1° | 0.0° |
| N03 | C04 | C05 | H7 | 179.8° | 179.9° |
| C05 | C04 | N03 | C02 | 0.2° | 0.1° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C04 | C05 | C06 | C14 | 179.9° | 179.8° |
| N03 | C02 | C01 | C07 | 180.0° | 179.9° |
| N03 | C02 | C07 | C06 | 0.0° | 0.0° |
| N03 | C02 | C07 | N08 | 180.0° | 179.9° |
| N03 | C02 | C01 | H3 | 0.0° | 90.0° |
| N03 | C02 | C01 | H4 | 120.0° | 29.9° |
| N03 | C02 | C01 | H5 | 120.0° | 150.0° |
| C02 | N03 | C04 | H6 | 179.8° | 180.0° |
| C05 | C06 | C07 | C02 | 0.0° | 0.0° |
| C05 | C06 | C07 | C14 | 180.0° | 179.9° |
| C05 | C06 | C07 | N08 | 180.0° | 180.0° |
| C05 | C06 | C14 | C13 | 0.0° | 0.8° |
| C05 | C06 | C14 | C09 | 180.0° | 179.9° |
| C06 | C05 | C04 | H6 | 179.8° | 180.0° |
| C01 | C02 | C07 | C06 | 180.0° | 180.0° |
| C01 | C02 | C07 | N08 | 0.1° | 0.1° |
| C02 | C01 | H3 | H4 | 120.0° | 119.9° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C02 | C07 | C06 | N08 | 180.0° | 179.9° |
| C02 | C07 | C06 | C14 | 180.0° | 179.8° |
| C02 | C07 | N08 | C09 | 180.0° | 179.9° |
| C07 | C02 | C01 | H3 | 180.0° | 90.1° |
| C07 | C02 | C01 | H4 | 59.9° | 150.0° |
| C07 | C02 | C01 | H5 | 60.0° | 29.9° |
| C02 | C07 | N08 | H10 | 0.0° | 0.1° |
| C07 | C06 | C14 | C13 | 180.0° | 179.4° |
| C07 | C06 | C14 | C09 | 0.0° | 0.1° |
| C06 | C07 | N08 | C09 | 0.0° | 0.0° |
| C07 | C06 | C05 | H7 | 179.9° | 180.0° |
| C06 | C07 | N08 | H10 | 180.0° | 180.0° |
| C14 | C06 | C07 | N08 | 0.0° | 0.1° |
| C06 | C14 | C13 | C09 | 180.0° | 179.2° |
| C06 | C14 | C13 | C12 | 180.0° | 180.0° |
| C06 | C14 | C09 | N08 | 0.0° | 0.1° |
| C06 | C14 | C09 | C10 | 180.0° | 179.9° |
| C06 | C14 | C13 | H2 | 0.0° | 0.6° |
| C14 | C06 | C05 | H7 | 0.1° | 0.2° |
| C07 | N08 | C09 | C14 | 0.0° | 0.0° |
| C07 | N08 | C09 | H10 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 180.0° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.4° |
| C13 | C14 | C09 | N08 | 180.0° | 179.5° |
| C13 | C14 | C09 | C10 | 0.0° | 0.5° |
| C14 | C13 | C12 | C11 | 0.1° | 0.6° |
| C14 | C13 | C12 | H9 | 179.9° | 180.0° |
| C09 | C14 | C13 | C12 | 0.0° | 0.8° |
| C14 | C09 | N08 | C10 | 179.9° | 180.0° |
| C14 | C09 | C10 | C11 | 0.1° | 0.0° |
| C14 | C09 | C10 | H1 | 179.9° | 179.8° |
| C09 | C14 | C13 | H2 | 179.9° | 179.8° |
| C14 | C09 | N08 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.4° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| N08 | C09 | C10 | C11 | 180.0° | 180.0° |
| N08 | C09 | C10 | H1 | 0.0° | 0.2° |
| C09 | C10 | C11 | C12 | 0.0° | 0.2° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | H8 | 180.0° | 179.8° |
| C10 | C09 | N08 | H10 | 0.0° | 0.1° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C12 | C13 | H2 | 179.9° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 179.5° |
| H1 | C10 | C11 | H8 | 0.0° | 0.0° |
| H2 | C13 | C12 | H9 | 0.1° | 0.6° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | C05 | H7 | 0.2° | 0.0° |
| H8 | C11 | C12 | H9 | 0.1° | 0.5° |
