32Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.40Å | 1.41Å | |
| C02 | C03 | doub | 1.39Å | 1.48Å | Aromatic |
| C02 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| I13 | C12 | sing | 2.09Å | 2.09Å | |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.45Å | Aromatic |
| C11 | C05 | sing | 1.41Å | 1.45Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.48Å | |
| C05 | O06 | sing | 1.35Å | 1.42Å | |
| C10 | C09 | doub | 1.36Å | 1.38Å | |
| O06 | C07 | sing | 1.34Å | 1.45Å | |
| C09 | C07 | sing | 1.41Å | 1.46Å | |
| C07 | O08 | doub | 1.22Å | 1.21Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| N01 | H3 | sing | 0.97Å | 1.00Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 117.8° | 119.9° |
| N01 | C02 | C12 | 124.0° | 119.9° |
| C02 | N01 | H2 | 109.5° | 120.0° |
| C02 | N01 | H3 | 109.5° | 120.0° |
| C03 | C02 | C12 | 118.2° | 120.2° |
| C02 | C03 | C04 | 120.8° | 120.6° |
| C02 | C03 | H4 | 119.6° | 119.7° |
| C02 | C12 | I13 | 119.8° | 120.2° |
| C02 | C12 | C11 | 122.4° | 119.5° |
| I13 | C12 | C11 | 117.8° | 120.3° |
| C03 | C04 | C05 | 118.7° | 120.1° |
| C04 | C03 | H4 | 119.6° | 119.7° |
| C03 | C04 | H5 | 120.7° | 119.9° |
| C12 | C11 | C05 | 117.6° | 120.1° |
| C12 | C11 | C10 | 124.8° | 120.9° |
| C04 | C05 | C11 | 122.3° | 119.6° |
| C04 | C05 | O06 | 114.8° | 120.6° |
| C05 | C04 | H5 | 120.7° | 120.0° |
| C05 | C11 | C10 | 117.5° | 119.0° |
| C11 | C05 | O06 | 122.8° | 119.8° |
| C11 | C10 | C09 | 119.8° | 118.2° |
| C11 | C10 | H1 | 120.1° | 120.9° |
| C05 | O06 | C07 | 118.6° | 121.5° |
| C10 | C09 | C07 | 122.0° | 119.8° |
| C09 | C10 | H1 | 120.1° | 120.9° |
| C10 | C09 | H6 | 119.0° | 120.1° |
| O06 | C07 | C09 | 118.9° | 121.7° |
| O06 | C07 | O08 | 113.1° | 119.2° |
| C09 | C07 | O08 | 128.0° | 119.1° |
| C07 | C09 | H6 | 119.0° | 120.1° |
| H2 | N01 | H3 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C12 | 178.5° | 180.0° |
| N01 | C02 | C12 | I13 | 4.0° | 0.0° |
| N01 | C02 | C03 | C04 | 180.0° | 180.0° |
| N01 | C02 | C12 | C11 | 178.5° | 180.0° |
| C02 | N01 | H2 | H3 | 120.0° | 180.0° |
| N01 | C02 | C03 | H4 | 0.0° | 0.0° |
| C03 | C02 | C12 | I13 | 177.6° | 180.0° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C03 | C02 | C12 | C11 | 0.1° | 0.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C03 | C02 | N01 | H2 | 180.0° | 0.0° |
| C03 | C02 | N01 | H3 | 60.0° | 180.0° |
| C02 | C03 | C04 | H5 | 179.1° | 180.0° |
| C02 | C12 | I13 | C11 | 177.6° | 180.0° |
| C12 | C02 | C03 | C04 | 1.5° | 0.0° |
| C02 | C12 | C11 | C05 | 1.8° | 0.0° |
| C02 | C12 | C11 | C10 | 179.1° | 180.0° |
| C12 | C02 | N01 | H2 | 1.5° | 180.0° |
| C12 | C02 | N01 | H3 | 118.4° | 0.0° |
| C12 | C02 | C03 | H4 | 178.5° | 180.0° |
| I13 | C12 | C11 | C05 | 175.7° | 180.0° |
| I13 | C12 | C11 | C10 | 1.6° | 0.0° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C03 | C04 | C05 | C11 | 1.1° | 0.1° |
| C03 | C04 | C05 | O06 | 178.0° | 180.0° |
| C12 | C11 | C05 | C04 | 2.4° | 0.1° |
| C12 | C11 | C05 | C10 | 177.5° | 180.0° |
| C12 | C11 | C05 | O06 | 179.1° | 180.0° |
| C12 | C11 | C10 | C09 | 175.2° | 180.0° |
| C12 | C11 | C10 | H1 | 4.8° | 0.3° |
| C04 | C05 | C11 | O06 | 176.7° | 179.9° |
| C04 | C05 | C11 | C10 | 180.0° | 180.0° |
| C04 | C05 | O06 | C07 | 178.7° | 179.9° |
| C05 | C04 | C03 | H4 | 179.1° | 180.0° |
| C05 | C11 | C10 | C09 | 2.1° | 0.0° |
| C11 | C05 | O06 | C07 | 4.4° | 0.0° |
| C05 | C11 | C10 | H1 | 177.9° | 179.7° |
| C11 | C05 | C04 | H5 | 178.9° | 180.0° |
| C10 | C11 | C05 | O06 | 3.4° | 0.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C07 | 6.4° | 0.0° |
| C11 | C10 | C09 | H6 | 173.6° | 179.8° |
| C05 | O06 | C07 | C09 | 0.1° | 0.1° |
| C05 | O06 | C07 | O08 | 178.9° | 180.0° |
| O06 | C05 | C04 | H5 | 2.0° | 0.0° |
| C10 | C09 | C07 | O06 | 5.4° | 0.1° |
| C10 | C09 | C07 | H6 | 180.0° | 179.8° |
| C10 | C09 | C07 | O08 | 173.2° | 180.0° |
| O06 | C07 | C09 | O08 | 178.5° | 179.9° |
| O06 | C07 | C09 | H6 | 174.7° | 179.8° |
| C07 | C09 | C10 | H1 | 173.6° | 179.7° |
| O08 | C07 | C09 | H6 | 6.8° | 0.2° |
| H1 | C10 | C09 | H6 | 6.4° | 0.1° |
| H4 | C03 | C04 | H5 | 0.9° | 0.0° |
