K9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.48Å | |
| N11 | C10 | sing | 1.47Å | 1.48Å | |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C08 | sing | 1.43Å | 1.29Å | |
| C06 | N01 | doub | 1.33Å | 1.36Å | Aromatic |
| C08 | C09 | trip | 1.17Å | 1.19Å | |
| C09 | C10 | sing | 1.47Å | 1.48Å | |
| C02 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| N02 | H11 | sing | 0.97Å | 1.00Å | |
| N02 | H12 | sing | 0.97Å | 1.00Å | |
| N11 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C05 | 120.4° | 120.7° |
| C07 | C04 | C03 | 120.3° | 120.7° |
| C04 | C07 | H3 | 109.5° | 109.5° |
| C04 | C07 | H4 | 109.4° | 109.5° |
| C04 | C07 | H5 | 109.5° | 109.5° |
| C05 | C04 | C03 | 119.3° | 118.6° |
| C04 | C05 | C06 | 119.9° | 119.3° |
| C04 | C05 | H2 | 120.0° | 120.4° |
| C04 | C03 | C02 | 119.6° | 119.3° |
| C04 | C03 | H1 | 120.2° | 120.4° |
| C05 | C06 | C08 | 119.3° | 119.8° |
| C05 | C06 | N01 | 119.6° | 120.5° |
| C06 | C05 | H2 | 120.0° | 120.3° |
| C12 | N11 | C10 | 109.7° | 111.0° |
| N11 | C12 | H8 | 109.5° | 109.5° |
| N11 | C12 | H9 | 109.5° | 109.5° |
| N11 | C12 | H10 | 109.5° | 109.5° |
| C12 | N11 | H13 | 109.4° | 111.0° |
| N11 | C10 | C09 | 111.7° | 109.5° |
| N11 | C10 | H6 | 108.9° | 109.5° |
| N11 | C10 | H7 | 108.9° | 109.4° |
| C10 | N11 | H13 | 109.4° | 111.0° |
| C03 | C02 | N01 | 120.3° | 120.7° |
| C03 | C02 | N02 | 118.4° | 119.7° |
| C02 | C03 | H1 | 120.2° | 120.3° |
| C08 | C06 | N01 | 121.0° | 119.7° |
| C06 | C08 | C09 | 176.7° | 180.0° |
| C06 | N01 | C02 | 121.2° | 121.5° |
| C08 | C09 | C10 | 177.5° | 180.0° |
| C09 | C10 | H6 | 108.9° | 109.4° |
| C09 | C10 | H7 | 108.9° | 109.5° |
| N01 | C02 | N02 | 121.3° | 119.6° |
| C02 | N02 | H11 | 109.5° | 120.0° |
| C02 | N02 | H12 | 109.5° | 120.0° |
| H3 | C07 | H4 | 109.5° | 109.4° |
| H3 | C07 | H5 | 109.5° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.4° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | N02 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C05 | C03 | 179.8° | 180.0° |
| C07 | C04 | C05 | C06 | 180.0° | 180.0° |
| C07 | C04 | C03 | C02 | 179.6° | 180.0° |
| C07 | C04 | C03 | H1 | 0.5° | 0.0° |
| C07 | C04 | C05 | H2 | 0.1° | 0.0° |
| C04 | C07 | H3 | H4 | 120.0° | 120.0° |
| C04 | C07 | H3 | H5 | 120.0° | 120.1° |
| C04 | C07 | H4 | H5 | 120.0° | 120.1° |
| C04 | C05 | C06 | H2 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C04 | C05 | C06 | C08 | 177.5° | 180.0° |
| C04 | C05 | C06 | N01 | 1.0° | 0.0° |
| C05 | C04 | C03 | H1 | 179.8° | 180.0° |
| C05 | C04 | C07 | H3 | 89.9° | 90.0° |
| C05 | C04 | C07 | H4 | 150.1° | 150.0° |
| C05 | C04 | C07 | H5 | 30.1° | 30.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | N01 | 1.9° | 0.0° |
| C04 | C03 | C02 | N02 | 179.0° | 179.8° |
| C03 | C04 | C05 | H2 | 179.7° | 180.0° |
| C03 | C04 | C07 | H3 | 89.9° | 90.0° |
| C03 | C04 | C07 | H4 | 30.1° | 30.0° |
| C03 | C04 | C07 | H5 | 150.1° | 150.0° |
| C05 | C06 | C08 | N01 | 176.5° | 180.0° |
| C05 | C06 | C08 | C09 | 90.6° | 100.8° |
| C05 | C06 | N01 | C02 | 2.7° | 0.0° |
| C12 | N11 | C10 | H13 | 120.0° | 124.0° |
| C12 | N11 | C10 | C09 | 170.5° | 180.0° |
| C12 | N11 | C10 | H6 | 50.2° | 60.0° |
| C12 | N11 | C10 | H7 | 69.1° | 60.0° |
| N11 | C12 | H8 | H9 | 120.0° | 120.0° |
| N11 | C12 | H8 | H10 | 120.0° | 120.0° |
| N11 | C12 | H9 | H10 | 120.0° | 120.0° |
| N11 | C10 | C09 | C08 | 161.4° | 56.1° |
| N11 | C10 | C09 | H6 | 120.3° | 120.0° |
| N11 | C10 | C09 | H7 | 120.3° | 120.0° |
| N11 | C10 | H6 | H7 | 119.0° | 120.0° |
| C10 | N11 | C12 | H8 | 180.0° | 60.0° |
| C10 | N11 | C12 | H9 | 60.0° | 60.0° |
| C10 | N11 | C12 | H10 | 60.0° | 180.0° |
| C03 | C02 | N01 | C06 | 3.2° | 0.0° |
| C03 | C02 | N01 | N02 | 177.0° | 179.8° |
| C03 | C02 | N02 | H11 | 177.0° | 179.7° |
| C03 | C02 | N02 | H12 | 57.0° | 0.2° |
| C06 | C08 | C09 | C10 | 40.8° | 96.9° |
| C08 | C06 | N01 | C02 | 179.2° | 180.0° |
| C08 | C06 | C05 | H2 | 2.5° | 0.0° |
| N01 | C06 | C08 | C09 | 85.9° | 79.2° |
| C06 | N01 | C02 | N02 | 179.8° | 179.7° |
| N01 | C06 | C05 | H2 | 179.0° | 180.0° |
| C08 | C09 | C10 | H6 | 41.1° | 176.1° |
| C08 | C09 | C10 | H7 | 78.2° | 63.9° |
| C09 | C10 | H6 | H7 | 119.0° | 120.0° |
| C09 | C10 | N11 | H13 | 69.4° | 56.0° |
| N01 | C02 | C03 | H1 | 178.0° | 179.9° |
| N01 | C02 | N02 | H11 | 0.0° | 0.1° |
| N01 | C02 | N02 | H12 | 120.0° | 180.0° |
| N02 | C02 | C03 | H1 | 1.0° | 0.3° |
| C02 | N02 | H11 | H12 | 120.0° | 179.9° |
| H3 | C07 | H4 | H5 | 120.0° | 120.0° |
| H6 | C10 | N11 | H13 | 170.3° | 63.9° |
| H7 | C10 | N11 | H13 | 50.9° | 176.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
| H8 | C12 | N11 | H13 | 59.9° | 64.0° |
| H9 | C12 | N11 | H13 | 60.1° | 176.0° |
| H10 | C12 | N11 | H13 | 179.9° | 56.0° |
