6EN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N13 | sing | 1.46Å | 1.47Å | |
| N13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N13 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
| N07 | C08 | doub | 1.31Å | 1.36Å | Aromatic |
| N07 | C06 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | N16 | doub | 1.33Å | 1.37Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| N16 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C20 | sing | 1.47Å | 1.44Å | Aromatic |
| C11 | N10 | sing | 1.41Å | 1.34Å | |
| C09 | N10 | sing | 1.39Å | 1.41Å | |
| C09 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.53Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | O03 | doub | 1.21Å | 1.27Å | |
| C02 | O01 | sing | 1.35Å | 1.24Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N13 | C12 | 126.5° | 125.0° |
| C14 | N13 | C15 | 125.7° | 125.0° |
| N13 | C14 | H8 | 109.5° | 109.5° |
| N13 | C14 | H9 | 109.5° | 109.5° |
| N13 | C14 | H10 | 109.5° | 109.5° |
| C12 | N13 | C15 | 107.8° | 110.0° |
| N13 | C12 | C11 | 109.9° | 109.7° |
| N13 | C12 | H7 | 125.1° | 125.2° |
| N13 | C15 | N16 | 126.6° | 133.0° |
| N13 | C15 | C20 | 108.3° | 107.1° |
| C08 | N07 | C06 | 116.7° | 122.3° |
| N07 | C08 | C09 | 124.1° | 120.7° |
| N07 | C08 | H5 | 118.0° | 119.7° |
| N07 | C06 | C05 | 122.6° | 121.1° |
| N07 | C06 | H4 | 118.7° | 119.4° |
| C12 | C11 | C20 | 106.1° | 106.8° |
| C12 | C11 | N10 | 129.0° | 126.6° |
| C11 | C12 | H7 | 125.1° | 125.1° |
| C08 | C09 | N10 | 121.2° | 120.6° |
| C08 | C09 | C04 | 117.7° | 118.7° |
| C09 | C08 | H5 | 117.9° | 119.6° |
| N16 | C15 | C20 | 125.0° | 119.8° |
| C15 | N16 | C17 | 113.7° | 121.6° |
| C15 | C20 | C11 | 107.9° | 106.3° |
| C15 | C20 | C19 | 118.7° | 119.5° |
| N16 | C17 | C18 | 125.0° | 121.6° |
| N16 | C17 | H1 | 117.5° | 119.2° |
| C06 | C05 | C04 | 119.5° | 119.1° |
| C06 | C05 | H3 | 120.2° | 120.5° |
| C05 | C06 | H4 | 118.7° | 119.4° |
| C20 | C11 | N10 | 124.9° | 126.6° |
| C11 | C20 | C19 | 133.4° | 134.2° |
| C11 | N10 | C09 | 129.9° | 120.0° |
| C11 | N10 | H6 | 115.1° | 120.0° |
| N10 | C09 | C04 | 121.1° | 120.6° |
| C09 | N10 | H6 | 115.0° | 120.0° |
| C09 | C04 | C05 | 119.4° | 118.1° |
| C09 | C04 | C02 | 121.9° | 120.9° |
| C20 | C19 | C18 | 117.4° | 118.0° |
| C20 | C19 | H12 | 121.3° | 121.0° |
| C17 | C18 | C19 | 120.1° | 119.4° |
| C18 | C17 | H1 | 117.5° | 119.2° |
| C17 | C18 | H11 | 120.0° | 120.4° |
| C05 | C04 | C02 | 118.7° | 121.0° |
| C04 | C05 | H3 | 120.2° | 120.5° |
| C04 | C02 | O03 | 115.4° | 120.0° |
| C04 | C02 | O01 | 120.2° | 120.0° |
| C19 | C18 | H11 | 119.9° | 120.2° |
| C18 | C19 | H12 | 121.3° | 121.0° |
| O03 | C02 | O01 | 124.5° | 120.0° |
| C02 | O01 | H2 | 109.5° | 117.0° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N13 | C12 | C15 | 179.9° | 179.5° |
| C14 | N13 | C12 | C11 | 179.2° | 180.0° |
| C14 | N13 | C15 | N16 | 0.3° | 0.3° |
| C14 | N13 | C15 | C20 | 180.0° | 180.0° |
| C14 | N13 | C12 | H7 | 0.8° | 0.4° |
| N13 | C14 | H8 | H9 | 120.0° | 120.0° |
| N13 | C14 | H8 | H10 | 120.0° | 120.0° |
| N13 | C14 | H9 | H10 | 120.0° | 120.0° |
| N13 | C12 | C11 | H7 | 180.0° | 179.6° |
| C12 | N13 | C15 | N16 | 179.7° | 179.9° |
| C12 | N13 | C15 | C20 | 0.1° | 0.4° |
| N13 | C12 | C11 | C20 | 1.2° | 0.3° |
| N13 | C12 | C11 | N10 | 178.9° | 179.8° |
| C12 | N13 | C14 | H8 | 180.0° | 89.9° |
| C12 | N13 | C14 | H9 | 60.0° | 150.1° |
| C12 | N13 | C14 | H10 | 60.0° | 30.1° |
| C15 | N13 | C12 | C11 | 0.8° | 0.5° |
| N13 | C15 | N16 | C20 | 179.7° | 179.7° |
| N13 | C15 | N16 | C17 | 179.7° | 179.7° |
| N13 | C15 | C20 | C11 | 0.6° | 0.2° |
| N13 | C15 | C20 | C19 | 179.7° | 179.7° |
| C15 | N13 | C12 | H7 | 179.2° | 179.9° |
| C15 | N13 | C14 | H8 | 0.1° | 89.5° |
| C15 | N13 | C14 | H9 | 119.9° | 30.5° |
| C15 | N13 | C14 | H10 | 120.1° | 150.5° |
| N07 | C08 | C09 | H5 | 180.0° | 179.8° |
| C08 | N07 | C06 | C05 | 0.1° | 0.1° |
| N07 | C08 | C09 | N10 | 179.7° | 180.0° |
| N07 | C08 | C09 | C04 | 0.3° | 0.5° |
| C08 | N07 | C06 | H4 | 179.9° | 180.0° |
| C06 | N07 | C08 | C09 | 0.3° | 0.2° |
| N07 | C06 | C05 | H4 | 180.0° | 179.9° |
| N07 | C06 | C05 | C04 | 0.5° | 0.0° |
| N07 | C06 | C05 | H3 | 179.5° | 180.0° |
| C06 | N07 | C08 | H5 | 179.7° | 180.0° |
| C12 | C11 | C20 | C15 | 1.1° | 0.0° |
| C12 | C11 | C20 | N10 | 177.9° | 179.9° |
| C12 | C11 | N10 | C09 | 28.7° | 6.1° |
| C12 | C11 | C20 | C19 | 180.0° | 180.0° |
| C12 | C11 | N10 | H6 | 151.3° | 173.9° |
| C08 | C09 | N10 | C11 | 8.8° | 41.4° |
| C08 | C09 | N10 | C04 | 179.9° | 179.5° |
| C08 | C09 | C04 | C05 | 0.1° | 0.6° |
| C08 | C09 | C04 | C02 | 179.4° | 179.8° |
| C08 | C09 | N10 | H6 | 171.2° | 138.7° |
| N16 | C15 | C20 | C11 | 179.6° | 180.0° |
| N16 | C15 | C20 | C19 | 0.5° | 0.0° |
| C15 | N16 | C17 | C18 | 0.4° | 0.0° |
| C15 | N16 | C17 | H1 | 179.5° | 179.9° |
| C20 | C15 | N16 | C17 | 0.5° | 0.0° |
| C15 | C20 | C11 | C19 | 178.9° | 180.0° |
| C15 | C20 | C11 | N10 | 179.0° | 180.0° |
| C15 | C20 | C19 | C18 | 0.3° | 0.0° |
| C15 | C20 | C19 | H12 | 179.8° | 179.9° |
| N16 | C17 | C18 | H1 | 180.0° | 180.0° |
| N16 | C17 | C18 | C19 | 0.3° | 0.0° |
| N16 | C17 | C18 | H11 | 179.7° | 180.0° |
| C06 | C05 | C04 | C09 | 0.5° | 0.3° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.8° | 180.0° |
| C20 | C11 | N10 | C09 | 154.0° | 173.9° |
| C11 | C20 | C19 | C18 | 179.1° | 180.0° |
| C20 | C11 | N10 | H6 | 26.0° | 6.2° |
| C20 | C11 | C12 | H7 | 178.8° | 179.9° |
| C11 | C20 | C19 | H12 | 0.9° | 0.1° |
| C11 | N10 | C09 | H6 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 171.3° | 138.1° |
| N10 | C11 | C20 | C19 | 2.1° | 0.0° |
| N10 | C11 | C12 | H7 | 1.1° | 0.1° |
| N10 | C09 | C04 | C05 | 179.9° | 180.0° |
| N10 | C09 | C04 | C02 | 0.6° | 0.3° |
| N10 | C09 | C08 | H5 | 0.3° | 0.2° |
| C09 | C04 | C05 | C02 | 179.3° | 179.7° |
| C09 | C04 | C02 | O03 | 17.4° | 5.8° |
| C09 | C04 | C02 | O01 | 161.5° | 174.2° |
| C09 | C04 | C05 | H3 | 179.5° | 179.7° |
| C04 | C09 | C08 | H5 | 179.7° | 179.7° |
| C04 | C09 | N10 | H6 | 8.7° | 41.8° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H12 | 180.0° | 179.9° |
| C20 | C19 | C18 | H11 | 179.8° | 180.0° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C17 | C18 | C19 | H12 | 179.8° | 179.9° |
| C05 | C04 | C02 | O03 | 163.3° | 174.6° |
| C05 | C04 | C02 | O01 | 17.8° | 5.4° |
| C04 | C05 | C06 | H4 | 179.5° | 180.0° |
| C04 | C02 | O03 | O01 | 178.9° | 180.0° |
| C04 | C02 | O01 | H2 | 178.9° | 180.0° |
| C02 | C04 | C05 | H3 | 0.2° | 0.0° |
| C19 | C18 | C17 | H1 | 179.7° | 180.0° |
| O03 | C02 | O01 | H2 | 0.0° | 0.0° |
| H1 | C17 | C18 | H11 | 0.3° | 0.1° |
| H3 | C05 | C06 | H4 | 0.5° | 0.0° |
| H8 | C14 | H9 | H10 | 120.0° | 119.9° |
| H11 | C18 | C19 | H12 | 0.2° | 0.1° |
