Y62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C15 | trip | 1.14Å | 1.14Å | |
| C15 | C12 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | N10 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| N10 | C09 | sing | 1.33Å | 1.34Å | Aromatic |
| C09 | N08 | sing | 1.39Å | 1.40Å | |
| N08 | C07 | sing | 1.35Å | 1.36Å | |
| O17 | C07 | doub | 1.22Å | 1.23Å | |
| C07 | C06 | sing | 1.48Å | 1.50Å | |
| O20 | N18 | doub | 1.22Å | 1.22Å | |
| C01 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| N18 | C02 | sing | 1.48Å | 1.46Å | |
| N18 | O19 | sing | 1.22Å | 1.22Å | |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| N08 | H8 | sing | 0.97Å | 1.00Å | |
| C05 | CL1 | sing | 1.74Å | 1.77Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C15 | C12 | 179.7° | 180.0° |
| C15 | C12 | C13 | 121.3° | 120.5° |
| C15 | C12 | C11 | 120.7° | 120.5° |
| C13 | C12 | C11 | 118.0° | 119.0° |
| C12 | C13 | C14 | 119.2° | 118.4° |
| C12 | C13 | H2 | 120.4° | 120.8° |
| C12 | C11 | N10 | 123.2° | 120.6° |
| C12 | C11 | H3 | 118.4° | 119.7° |
| C13 | C14 | C09 | 118.7° | 119.3° |
| C13 | C14 | H1 | 120.6° | 120.4° |
| C14 | C13 | H2 | 120.4° | 120.8° |
| C11 | N10 | C09 | 118.1° | 121.8° |
| N10 | C11 | H3 | 118.4° | 119.6° |
| C14 | C09 | N10 | 122.7° | 120.9° |
| C14 | C09 | N08 | 123.1° | 119.6° |
| C09 | C14 | H1 | 120.7° | 120.4° |
| N10 | C09 | N08 | 114.2° | 119.5° |
| C09 | N08 | C07 | 128.3° | 120.0° |
| C09 | N08 | H8 | 115.8° | 120.0° |
| N08 | C07 | O17 | 124.0° | 120.0° |
| N08 | C07 | C06 | 114.9° | 120.0° |
| C07 | N08 | H8 | 115.9° | 120.0° |
| O17 | C07 | C06 | 120.8° | 120.0° |
| C07 | C06 | C01 | 119.6° | 120.2° |
| C07 | C06 | C05 | 122.0° | 120.1° |
| O20 | N18 | C02 | 118.2° | 120.0° |
| O20 | N18 | O19 | 123.5° | 120.0° |
| C06 | C01 | C02 | 119.9° | 119.9° |
| C01 | C06 | C05 | 118.0° | 119.7° |
| C06 | C01 | H4 | 120.0° | 120.1° |
| C01 | C02 | N18 | 118.8° | 119.9° |
| C01 | C02 | C03 | 122.3° | 120.2° |
| C02 | C01 | H4 | 120.0° | 120.0° |
| C06 | C05 | C04 | 121.4° | 119.8° |
| C06 | C05 | CL1 | 119.3° | 120.1° |
| C02 | N18 | O19 | 118.3° | 120.0° |
| N18 | C02 | C03 | 118.8° | 119.9° |
| C02 | C03 | C04 | 118.2° | 120.3° |
| C02 | C03 | H5 | 120.9° | 119.8° |
| C05 | C04 | C03 | 119.8° | 120.1° |
| C05 | C04 | H6 | 120.1° | 119.9° |
| C04 | C05 | CL1 | 119.1° | 120.1° |
| C04 | C03 | H5 | 120.9° | 119.8° |
| C03 | C04 | H6 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C15 | C12 | C13 | 92.5° | 121.5° |
| N16 | C15 | C12 | C11 | 86.9° | 58.5° |
| C15 | C12 | C13 | C11 | 179.3° | 180.0° |
| C15 | C12 | C13 | C14 | 179.9° | 180.0° |
| C15 | C12 | C11 | N10 | 180.0° | 179.9° |
| C15 | C12 | C13 | H2 | 0.1° | 0.1° |
| C15 | C12 | C11 | H3 | 0.0° | 0.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 0.6° | 0.0° |
| C12 | C13 | C14 | C09 | 0.1° | 0.1° |
| C12 | C13 | C14 | H1 | 179.9° | 179.7° |
| C13 | C12 | C11 | H3 | 179.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C11 | N10 | H3 | 180.0° | 179.9° |
| C12 | C11 | N10 | C09 | 0.1° | 0.1° |
| C11 | C12 | C13 | H2 | 179.4° | 179.9° |
| C13 | C14 | C09 | H1 | 180.0° | 179.7° |
| C13 | C14 | C09 | N10 | 0.5° | 0.0° |
| C13 | C14 | C09 | N08 | 179.6° | 179.7° |
| C11 | N10 | C09 | C14 | 0.5° | 0.0° |
| C11 | N10 | C09 | N08 | 179.6° | 179.8° |
| C14 | C09 | N10 | N08 | 179.9° | 179.8° |
| C14 | C09 | N08 | C07 | 179.8° | 175.0° |
| C09 | C14 | C13 | H2 | 179.9° | 180.0° |
| C14 | C09 | N08 | H8 | 0.2° | 5.1° |
| N10 | C09 | N08 | C07 | 0.3° | 4.8° |
| N10 | C09 | C14 | H1 | 179.5° | 179.7° |
| C09 | N10 | C11 | H3 | 179.9° | 180.0° |
| N10 | C09 | N08 | H8 | 179.7° | 175.2° |
| C09 | N08 | C07 | H8 | 180.0° | 180.0° |
| C09 | N08 | C07 | O17 | 2.2° | 5.1° |
| C09 | N08 | C07 | C06 | 177.4° | 174.9° |
| N08 | C09 | C14 | H1 | 0.3° | 0.1° |
| N08 | C07 | O17 | C06 | 174.8° | 180.0° |
| N08 | C07 | C06 | C01 | 31.1° | 0.0° |
| N08 | C07 | C06 | C05 | 141.4° | 180.0° |
| O17 | C07 | C06 | C01 | 144.2° | 180.0° |
| O17 | C07 | C06 | C05 | 43.3° | 0.0° |
| O17 | C07 | N08 | H8 | 177.8° | 174.9° |
| C07 | C06 | C01 | C05 | 172.7° | 180.0° |
| C07 | C06 | C01 | C02 | 178.5° | 180.0° |
| C07 | C06 | C05 | C04 | 177.5° | 180.0° |
| C07 | C06 | C01 | H4 | 1.5° | 0.2° |
| C06 | C07 | N08 | H8 | 2.7° | 5.1° |
| C07 | C06 | C05 | CL1 | 1.4° | 0.0° |
| O20 | N18 | C02 | C01 | 1.2° | 180.0° |
| O20 | N18 | C02 | O19 | 179.6° | 180.0° |
| O20 | N18 | C02 | C03 | 180.0° | 0.0° |
| C06 | C01 | C02 | H4 | 180.0° | 179.7° |
| C06 | C01 | C02 | N18 | 177.3° | 180.0° |
| C06 | C01 | C02 | C03 | 4.0° | 0.0° |
| C01 | C06 | C05 | C04 | 5.0° | 0.0° |
| C01 | C06 | C05 | CL1 | 171.1° | 180.0° |
| C02 | C01 | C06 | C05 | 5.7° | 0.0° |
| C01 | C02 | N18 | C03 | 178.8° | 180.0° |
| C01 | C02 | N18 | O19 | 179.2° | 0.0° |
| C01 | C02 | C03 | C04 | 1.1° | 0.1° |
| C01 | C02 | C03 | H5 | 178.9° | 180.0° |
| C06 | C05 | C04 | CL1 | 176.1° | 180.0° |
| C06 | C05 | C04 | C03 | 2.3° | 0.0° |
| C05 | C06 | C01 | H4 | 174.2° | 179.8° |
| C06 | C05 | C04 | H6 | 177.7° | 180.0° |
| N18 | C02 | C03 | C04 | 179.9° | 180.0° |
| N18 | C02 | C01 | H4 | 2.8° | 0.2° |
| N18 | C02 | C03 | H5 | 0.1° | 0.0° |
| O19 | N18 | C02 | C03 | 0.4° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.1° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C03 | C02 | C01 | H4 | 176.0° | 179.8° |
| C02 | C03 | C04 | H6 | 179.7° | 180.0° |
| C05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | H5 | 179.7° | 180.0° |
| C03 | C04 | C05 | CL1 | 173.8° | 180.0° |
| H1 | C14 | C13 | H2 | 0.1° | 0.4° |
| H5 | C03 | C04 | H6 | 0.3° | 0.1° |
| H6 | C04 | C05 | CL1 | 6.2° | 0.0° |
