N6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | C07 | doub | 1.29Å | 1.53Å | |
| C08 | C09 | sing | 1.46Å | 1.53Å | |
| C07 | C05 | sing | 1.47Å | 1.55Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.43Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | N15 | sing | 1.35Å | 1.46Å | |
| C04 | N15 | sing | 1.35Å | 1.48Å | |
| C04 | C03 | doub | 1.40Å | 1.43Å | Aromatic |
| N15 | C16 | sing | 1.35Å | 1.45Å | |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | O17 | doub | 1.21Å | 1.19Å | |
| C16 | N18 | sing | 1.35Å | 1.45Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| N18 | H11 | sing | 0.97Å | 1.00Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 118.9° | 120.2° |
| C10 | C11 | C12 | 121.2° | 120.0° |
| C10 | C11 | H1 | 119.4° | 120.0° |
| C11 | C10 | H2 | 120.5° | 119.9° |
| C10 | C09 | C08 | 118.7° | 119.3° |
| C10 | C09 | C14 | 119.8° | 119.7° |
| C09 | C10 | H2 | 120.5° | 119.9° |
| C07 | C08 | C09 | 126.2° | 125.8° |
| C08 | C07 | C05 | 124.9° | 125.7° |
| C08 | C07 | H9 | 117.5° | 117.1° |
| C07 | C08 | H10 | 116.9° | 117.1° |
| C08 | C09 | C14 | 121.4° | 121.0° |
| C09 | C08 | H10 | 116.9° | 117.1° |
| C07 | C05 | C06 | 118.3° | 119.3° |
| C07 | C05 | C04 | 121.0° | 120.9° |
| C05 | C07 | H9 | 117.6° | 117.2° |
| C11 | C12 | C13 | 119.7° | 119.8° |
| C12 | C11 | H1 | 119.4° | 120.0° |
| C11 | C12 | H3 | 120.1° | 120.1° |
| C09 | C14 | C13 | 121.1° | 120.1° |
| C09 | C14 | N15 | 118.3° | 120.5° |
| C05 | C06 | C01 | 119.2° | 120.2° |
| C06 | C05 | C04 | 120.7° | 119.8° |
| C05 | C06 | H8 | 120.4° | 119.9° |
| C06 | C01 | C02 | 119.9° | 120.0° |
| C06 | C01 | H5 | 120.0° | 120.1° |
| C01 | C06 | H8 | 120.4° | 119.9° |
| C05 | C04 | N15 | 116.5° | 120.7° |
| C05 | C04 | C03 | 120.2° | 120.0° |
| C01 | C02 | C03 | 121.2° | 119.9° |
| C02 | C01 | H5 | 120.1° | 120.0° |
| C01 | C02 | H6 | 119.4° | 120.1° |
| C12 | C13 | C14 | 119.1° | 120.2° |
| C13 | C12 | H3 | 120.1° | 120.1° |
| C12 | C13 | H4 | 120.4° | 119.9° |
| C13 | C14 | N15 | 120.6° | 119.4° |
| C14 | C13 | H4 | 120.4° | 119.9° |
| C14 | N15 | C04 | 123.2° | 120.0° |
| C14 | N15 | C16 | 116.7° | 120.0° |
| N15 | C04 | C03 | 123.2° | 119.3° |
| C04 | N15 | C16 | 120.0° | 120.0° |
| C04 | C03 | C02 | 118.7° | 120.1° |
| C04 | C03 | H7 | 120.7° | 119.9° |
| N15 | C16 | O17 | 119.5° | 120.0° |
| N15 | C16 | N18 | 120.8° | 120.0° |
| C03 | C02 | H6 | 119.4° | 120.0° |
| C02 | C03 | H7 | 120.7° | 120.0° |
| O17 | C16 | N18 | 119.7° | 120.0° |
| C16 | N18 | H11 | 120.0° | 120.0° |
| C16 | N18 | H12 | 120.0° | 120.0° |
| H11 | N18 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H2 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 179.3° | 177.2° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C11 | C10 | C09 | C14 | 2.1° | 1.2° |
| C10 | C11 | C12 | C13 | 0.7° | 0.6° |
| C10 | C11 | C12 | H3 | 179.3° | 179.4° |
| C10 | C09 | C08 | C07 | 149.3° | 142.3° |
| C10 | C09 | C08 | C14 | 178.6° | 178.4° |
| C09 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C09 | C14 | C13 | 2.0° | 1.8° |
| C10 | C09 | C14 | N15 | 179.9° | 176.3° |
| C09 | C10 | C11 | H1 | 179.2° | 180.0° |
| C10 | C09 | C08 | H10 | 30.7° | 37.7° |
| C07 | C08 | C09 | H10 | 180.0° | 180.0° |
| C08 | C07 | C05 | H9 | 180.0° | 179.9° |
| C07 | C08 | C09 | C14 | 32.1° | 39.3° |
| C08 | C07 | C05 | C06 | 142.3° | 142.7° |
| C08 | C07 | C05 | C04 | 38.5° | 39.1° |
| C09 | C08 | C07 | C05 | 5.6° | 0.2° |
| C08 | C09 | C14 | C13 | 179.5° | 176.6° |
| C08 | C09 | C14 | N15 | 1.6° | 5.3° |
| C08 | C09 | C10 | H2 | 0.7° | 2.8° |
| C09 | C08 | C07 | H9 | 174.4° | 179.8° |
| C07 | C05 | C06 | C04 | 179.2° | 178.2° |
| C07 | C05 | C06 | C01 | 179.4° | 176.7° |
| C07 | C05 | C04 | N15 | 1.3° | 4.5° |
| C07 | C05 | C04 | C03 | 178.6° | 176.3° |
| C07 | C05 | C06 | H8 | 0.6° | 3.3° |
| C05 | C07 | C08 | H10 | 174.4° | 179.8° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C11 | C10 | H2 | 179.2° | 179.9° |
| C11 | C12 | C13 | H4 | 179.2° | 180.0° |
| C09 | C14 | C13 | C12 | 0.5° | 1.2° |
| C09 | C14 | C13 | N15 | 177.8° | 178.2° |
| C09 | C14 | N15 | C04 | 70.3° | 61.6° |
| C09 | C14 | N15 | C16 | 106.8° | 118.4° |
| C14 | C09 | C10 | H2 | 177.9° | 178.7° |
| C09 | C14 | C13 | H4 | 179.5° | 178.8° |
| C14 | C09 | C08 | H10 | 147.9° | 140.7° |
| C05 | C06 | C01 | H8 | 180.0° | 180.0° |
| C05 | C06 | C01 | C02 | 1.0° | 0.2° |
| C06 | C05 | C04 | N15 | 179.5° | 177.3° |
| C06 | C05 | C04 | C03 | 2.2° | 1.9° |
| C05 | C06 | C01 | H5 | 179.0° | 179.7° |
| C06 | C05 | C07 | H9 | 37.7° | 37.4° |
| C01 | C06 | C05 | C04 | 0.2° | 1.5° |
| C06 | C01 | C02 | H5 | 180.0° | 179.9° |
| C06 | C01 | C02 | C03 | 0.2° | 0.8° |
| C06 | C01 | C02 | H6 | 179.8° | 179.2° |
| C05 | C04 | N15 | C14 | 71.3° | 62.1° |
| C05 | C04 | N15 | C03 | 177.2° | 179.2° |
| C05 | C04 | N15 | C16 | 105.7° | 117.9° |
| C05 | C04 | C03 | C02 | 3.0° | 0.9° |
| C05 | C04 | C03 | H7 | 177.0° | 179.0° |
| C04 | C05 | C06 | H8 | 179.8° | 178.5° |
| C04 | C05 | C07 | H9 | 141.5° | 140.8° |
| C01 | C02 | C03 | C04 | 1.8° | 0.5° |
| C01 | C02 | C03 | H6 | 180.0° | 180.0° |
| C01 | C02 | C03 | H7 | 178.2° | 179.6° |
| C02 | C01 | C06 | H8 | 179.0° | 179.8° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | N15 | 178.4° | 176.9° |
| C13 | C12 | C11 | H1 | 179.3° | 179.4° |
| C13 | C14 | N15 | C04 | 107.6° | 116.6° |
| C13 | C14 | N15 | C16 | 75.3° | 63.4° |
| C14 | C13 | C12 | H3 | 179.2° | 180.0° |
| C14 | N15 | C04 | C16 | 177.0° | 180.0° |
| C14 | N15 | C04 | C03 | 105.9° | 117.0° |
| C14 | N15 | C16 | O17 | 3.0° | 0.0° |
| C14 | N15 | C16 | N18 | 179.4° | 180.0° |
| N15 | C14 | C13 | H4 | 1.6° | 3.0° |
| N15 | C04 | C03 | C02 | 179.8° | 178.3° |
| C04 | N15 | C16 | O17 | 179.8° | 179.9° |
| C04 | N15 | C16 | N18 | 2.2° | 0.0° |
| N15 | C04 | C03 | H7 | 0.2° | 1.8° |
| C03 | C04 | N15 | C16 | 77.1° | 63.0° |
| C04 | C03 | C02 | H7 | 180.0° | 179.9° |
| C04 | C03 | C02 | H6 | 178.2° | 179.5° |
| N15 | C16 | O17 | N18 | 177.6° | 179.9° |
| N15 | C16 | N18 | H11 | 177.6° | 180.0° |
| N15 | C16 | N18 | H12 | 2.4° | 0.1° |
| C03 | C02 | C01 | H5 | 179.8° | 179.2° |
| O17 | C16 | N18 | H11 | 0.0° | 0.1° |
| O17 | C16 | N18 | H12 | 180.0° | 180.0° |
| C16 | N18 | H11 | H12 | 180.0° | 179.8° |
| H1 | C11 | C10 | H2 | 0.8° | 0.0° |
| H1 | C11 | C12 | H3 | 0.6° | 0.7° |
| H3 | C12 | C13 | H4 | 0.8° | 0.0° |
| H5 | C01 | C02 | H6 | 0.2° | 0.7° |
| H5 | C01 | C06 | H8 | 1.0° | 0.2° |
| H6 | C02 | C03 | H7 | 1.8° | 0.3° |
| H9 | C07 | C08 | H10 | 5.6° | 0.2° |
