Y6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C05 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | doub | 1.38Å | 1.50Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.49Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.56Å | Aromatic |
| C01 | C02 | doub | 1.37Å | 1.51Å | Aromatic |
| C04 | N09 | sing | 1.38Å | 1.35Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.39Å | Aromatic |
| N09 | C08 | sing | 1.38Å | 1.36Å | Aromatic |
| O17 | C15 | doub | 1.22Å | 1.26Å | |
| C02 | C03 | sing | 1.40Å | 1.56Å | Aromatic |
| C03 | C07 | sing | 1.47Å | 1.36Å | Aromatic |
| C11 | N12 | sing | 1.35Å | 1.33Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C15 | sing | 1.46Å | 1.51Å | |
| C07 | C10 | sing | 1.48Å | 1.53Å | |
| C15 | O16 | sing | 1.35Å | 1.26Å | |
| N12 | N13 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C14 | sing | 1.41Å | 1.38Å | Aromatic |
| N13 | C14 | doub | 1.31Å | 1.34Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å | |
| O16 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C05 | C06 | 123.3° | 120.1° |
| C18 | C05 | C04 | 118.7° | 120.1° |
| C05 | C18 | H7 | 109.5° | 109.4° |
| C05 | C18 | H8 | 109.5° | 109.4° |
| C05 | C18 | H9 | 109.5° | 109.5° |
| C05 | C06 | C01 | 118.7° | 120.7° |
| C06 | C05 | C04 | 117.9° | 119.9° |
| C05 | C06 | H4 | 120.6° | 119.7° |
| C06 | C01 | C02 | 122.6° | 120.5° |
| C06 | C01 | H2 | 118.7° | 119.8° |
| C01 | C06 | H4 | 120.7° | 119.6° |
| C05 | C04 | N09 | 127.9° | 132.8° |
| C05 | C04 | C03 | 123.6° | 119.2° |
| C01 | C02 | C03 | 117.6° | 119.8° |
| C02 | C01 | H2 | 118.7° | 119.8° |
| C01 | C02 | H3 | 121.2° | 120.1° |
| N09 | C04 | C03 | 108.5° | 108.0° |
| C04 | N09 | C08 | 107.4° | 110.1° |
| C04 | N09 | H10 | 126.3° | 124.9° |
| C04 | C03 | C02 | 119.5° | 120.0° |
| C04 | C03 | C07 | 108.0° | 106.5° |
| N09 | C08 | C07 | 109.9° | 108.9° |
| N09 | C08 | C15 | 121.8° | 125.6° |
| C08 | N09 | H10 | 126.3° | 125.0° |
| O17 | C15 | C08 | 119.9° | 120.1° |
| O17 | C15 | O16 | 122.8° | 120.0° |
| C02 | C03 | C07 | 132.5° | 133.5° |
| C03 | C02 | H3 | 121.2° | 120.1° |
| C03 | C07 | C08 | 106.1° | 106.5° |
| C03 | C07 | C10 | 127.7° | 126.8° |
| N12 | C11 | C10 | 108.2° | 107.4° |
| C11 | N12 | N13 | 107.0° | 108.4° |
| C11 | N12 | H1 | 126.5° | 125.8° |
| N12 | C11 | H5 | 125.9° | 126.4° |
| C11 | C10 | C07 | 123.3° | 126.4° |
| C11 | C10 | C14 | 108.7° | 107.3° |
| C10 | C11 | H5 | 125.9° | 126.3° |
| C07 | C08 | C15 | 128.3° | 125.5° |
| C08 | C07 | C10 | 126.0° | 126.8° |
| C08 | C15 | O16 | 117.3° | 120.0° |
| C07 | C10 | C14 | 127.8° | 126.3° |
| C15 | O16 | H11 | 109.5° | 114.0° |
| N12 | N13 | C14 | 109.4° | 108.8° |
| N13 | N12 | H1 | 126.4° | 125.8° |
| C10 | C14 | N13 | 106.6° | 108.1° |
| C10 | C14 | H6 | 126.7° | 125.9° |
| N13 | C14 | H6 | 126.7° | 126.0° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C05 | C06 | C04 | 179.8° | 179.8° |
| C18 | C05 | C06 | C01 | 179.3° | 179.7° |
| C18 | C05 | C04 | N09 | 0.4° | 0.1° |
| C18 | C05 | C04 | C03 | 179.1° | 180.0° |
| C18 | C05 | C06 | H4 | 0.7° | 0.2° |
| C05 | C18 | H7 | H8 | 120.0° | 119.9° |
| C05 | C18 | H7 | H9 | 120.0° | 120.0° |
| C05 | C18 | H8 | H9 | 120.0° | 120.0° |
| C05 | C06 | C01 | H4 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.0° | 0.5° |
| C06 | C05 | C04 | N09 | 179.8° | 179.8° |
| C06 | C05 | C04 | C03 | 0.7° | 0.2° |
| C05 | C06 | C01 | H2 | 180.0° | 179.8° |
| C06 | C05 | C18 | H7 | 90.1° | 89.8° |
| C06 | C05 | C18 | H8 | 149.9° | 30.2° |
| C06 | C05 | C18 | H9 | 29.9° | 150.2° |
| C01 | C06 | C05 | C04 | 0.5° | 0.4° |
| C06 | C01 | C02 | H2 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.3° | 0.3° |
| C06 | C01 | C02 | H3 | 179.6° | 179.8° |
| C05 | C04 | N09 | C03 | 179.6° | 179.9° |
| C05 | C04 | N09 | C08 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 0.3° | 0.0° |
| C05 | C04 | C03 | C07 | 179.4° | 180.0° |
| C04 | C05 | C06 | H4 | 179.5° | 180.0° |
| C04 | C05 | C18 | H7 | 90.1° | 90.1° |
| C04 | C05 | C18 | H8 | 29.9° | 150.0° |
| C04 | C05 | C18 | H9 | 149.9° | 29.9° |
| C05 | C04 | N09 | H10 | 0.1° | 0.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H3 | 180.0° | 180.0° |
| C01 | C02 | C03 | C07 | 179.8° | 180.0° |
| C02 | C01 | C06 | H4 | 180.0° | 180.0° |
| C04 | N09 | C08 | H10 | 180.0° | 180.0° |
| N09 | C04 | C03 | C02 | 179.9° | 180.0° |
| N09 | C04 | C03 | C07 | 0.2° | 0.0° |
| C04 | N09 | C08 | C07 | 1.1° | 0.1° |
| C04 | N09 | C08 | C15 | 179.7° | 180.0° |
| C03 | C04 | N09 | C08 | 0.6° | 0.0° |
| C04 | C03 | C02 | C07 | 179.5° | 180.0° |
| C04 | C03 | C07 | C08 | 0.9° | 0.0° |
| C04 | C03 | C07 | C10 | 177.2° | 180.0° |
| C04 | C03 | C02 | H3 | 179.8° | 180.0° |
| C03 | C04 | N09 | H10 | 179.5° | 179.9° |
| N09 | C08 | C15 | O17 | 126.7° | 180.0° |
| N09 | C08 | C07 | C03 | 1.3° | 0.0° |
| N09 | C08 | C07 | C15 | 178.5° | 179.9° |
| N09 | C08 | C07 | C10 | 177.7° | 180.0° |
| N09 | C08 | C15 | O16 | 52.4° | 0.0° |
| O17 | C15 | C08 | C07 | 55.0° | 0.0° |
| O17 | C15 | C08 | O16 | 179.1° | 180.0° |
| O17 | C15 | O16 | H11 | 0.0° | 0.0° |
| C02 | C03 | C07 | C08 | 179.5° | 180.0° |
| C02 | C03 | C07 | C10 | 3.2° | 0.0° |
| C03 | C02 | C01 | H2 | 179.7° | 180.0° |
| C03 | C07 | C10 | C11 | 37.4° | 114.7° |
| C03 | C07 | C08 | C10 | 176.4° | 179.9° |
| C03 | C07 | C08 | C15 | 179.7° | 180.0° |
| C03 | C07 | C10 | C14 | 147.6° | 65.0° |
| C07 | C03 | C02 | H3 | 0.2° | 0.0° |
| N12 | C11 | C10 | H5 | 180.0° | 180.0° |
| N12 | C11 | C10 | C07 | 177.8° | 179.7° |
| C11 | N12 | N13 | H1 | 180.0° | 179.7° |
| N12 | C11 | C10 | C14 | 1.9° | 0.0° |
| C11 | N12 | N13 | C14 | 0.6° | 0.3° |
| C11 | C10 | C07 | C08 | 138.3° | 65.2° |
| C11 | C10 | C07 | C14 | 175.0° | 179.7° |
| C10 | C11 | N12 | N13 | 0.8° | 0.2° |
| C11 | C10 | C14 | N13 | 2.3° | 0.2° |
| C10 | C11 | N12 | H1 | 179.2° | 179.9° |
| C11 | C10 | C14 | H6 | 177.7° | 179.7° |
| C07 | C08 | C15 | O16 | 126.0° | 180.0° |
| C08 | C07 | C10 | C14 | 36.8° | 115.0° |
| C07 | C08 | N09 | H10 | 178.9° | 179.9° |
| C15 | C08 | C07 | C10 | 3.9° | 0.1° |
| C15 | C08 | N09 | H10 | 0.3° | 0.0° |
| C08 | C15 | O16 | H11 | 179.1° | 180.0° |
| C07 | C10 | C14 | N13 | 177.9° | 179.9° |
| C07 | C10 | C11 | H5 | 2.2° | 0.3° |
| C07 | C10 | C14 | H6 | 2.1° | 0.1° |
| N12 | N13 | C14 | C10 | 1.8° | 0.3° |
| N13 | N12 | C11 | H5 | 179.2° | 179.8° |
| N12 | N13 | C14 | H6 | 178.2° | 179.5° |
| C10 | C14 | N13 | H6 | 180.0° | 179.8° |
| C14 | C10 | C11 | H5 | 178.1° | 180.0° |
| C14 | N13 | N12 | H1 | 179.4° | 180.0° |
| H1 | N12 | C11 | H5 | 0.8° | 0.1° |
| H2 | C01 | C02 | H3 | 0.4° | 0.1° |
| H2 | C01 | C06 | H4 | 0.0° | 0.3° |
| H7 | C18 | H8 | H9 | 120.0° | 120.0° |
