OYT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C10 | doub | 1.30Å | 1.34Å | Aromatic |
| N11 | C04 | sing | 1.35Å | 1.37Å | Aromatic |
| C10 | N06 | sing | 1.36Å | 1.33Å | Aromatic |
| N02 | C01 | sing | 1.46Å | 1.46Å | |
| N02 | C03 | sing | 1.39Å | 1.44Å | |
| C04 | C03 | doub | 1.40Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.36Å | Aromatic |
| N06 | C07 | sing | 1.47Å | 1.46Å | |
| N06 | C05 | sing | 1.37Å | 1.35Å | Aromatic |
| C09 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C03 | N14 | sing | 1.33Å | 1.33Å | Aromatic |
| C05 | N12 | doub | 1.33Å | 1.36Å | Aromatic |
| N14 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| N02 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N11 | C04 | 106.6° | 109.4° |
| N11 | C10 | N06 | 108.8° | 110.0° |
| N11 | C10 | H1 | 125.6° | 125.0° |
| N11 | C04 | C03 | 134.2° | 134.7° |
| N11 | C04 | C05 | 109.0° | 107.1° |
| C10 | N06 | C07 | 124.2° | 126.3° |
| C10 | N06 | C05 | 109.8° | 107.4° |
| N06 | C10 | H1 | 125.6° | 125.0° |
| C01 | N02 | C03 | 119.2° | 120.0° |
| N02 | C01 | H3 | 109.5° | 109.6° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.4° | 109.5° |
| C01 | N02 | H11 | 107.0° | 120.0° |
| N02 | C03 | C04 | 117.6° | 120.7° |
| N02 | C03 | N14 | 122.3° | 120.7° |
| C03 | N02 | H11 | 107.0° | 120.0° |
| C03 | C04 | C05 | 116.8° | 118.2° |
| C04 | C03 | N14 | 120.1° | 118.5° |
| C04 | C05 | N06 | 105.8° | 106.0° |
| C04 | C05 | N12 | 121.4° | 119.1° |
| C07 | N06 | C05 | 126.0° | 126.3° |
| N06 | C07 | C09 | 126.3° | 117.5° |
| N06 | C07 | C08 | 130.1° | 117.5° |
| N06 | C07 | H6 | 111.1° | 115.5° |
| N06 | C05 | N12 | 132.8° | 134.9° |
| C07 | C09 | C08 | 60.1° | 60.0° |
| C09 | C07 | C08 | 59.8° | 60.0° |
| C09 | C07 | H6 | 110.1° | 117.5° |
| C07 | C09 | H9 | 120.0° | 117.5° |
| C07 | C09 | H10 | 120.0° | 117.5° |
| C09 | C08 | C07 | 60.1° | 60.0° |
| C09 | C08 | H7 | 120.0° | 117.5° |
| C09 | C08 | H8 | 120.0° | 117.5° |
| C08 | C09 | H9 | 120.0° | 117.5° |
| C08 | C09 | H10 | 120.0° | 117.5° |
| C08 | C07 | H6 | 110.1° | 117.5° |
| C07 | C08 | H7 | 120.0° | 117.5° |
| C07 | C08 | H8 | 119.9° | 117.5° |
| C03 | N14 | C13 | 120.8° | 121.2° |
| C05 | N12 | C13 | 119.5° | 120.6° |
| N14 | C13 | N12 | 121.4° | 122.4° |
| N14 | C13 | H2 | 119.3° | 118.8° |
| N12 | C13 | H2 | 119.3° | 118.8° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H5 | 109.4° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.4° |
| H7 | C08 | H8 | 109.5° | 115.5° |
| H9 | C09 | H10 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | N06 | H1 | 180.0° | 179.8° |
| C10 | N11 | C04 | C03 | 179.9° | 179.8° |
| C10 | N11 | C04 | C05 | 1.2° | 0.3° |
| N11 | C10 | N06 | C07 | 179.9° | 179.8° |
| N11 | C10 | N06 | C05 | 0.8° | 0.2° |
| C04 | N11 | C10 | N06 | 1.2° | 0.1° |
| N11 | C04 | C03 | N02 | 1.8° | 0.6° |
| N11 | C04 | C03 | C05 | 178.8° | 179.4° |
| N11 | C04 | C05 | N06 | 0.7° | 0.5° |
| N11 | C04 | C03 | N14 | 179.7° | 179.4° |
| N11 | C04 | C05 | N12 | 179.4° | 179.6° |
| C04 | N11 | C10 | H1 | 178.8° | 179.8° |
| C10 | N06 | C05 | C04 | 0.0° | 0.4° |
| C10 | N06 | C07 | C05 | 179.3° | 180.0° |
| C10 | N06 | C07 | C09 | 35.7° | 8.6° |
| C10 | N06 | C07 | C08 | 114.3° | 60.0° |
| C10 | N06 | C05 | N12 | 179.8° | 179.7° |
| C10 | N06 | C07 | H6 | 102.1° | 154.3° |
| C01 | N02 | C03 | H11 | 121.4° | 179.9° |
| C01 | N02 | C03 | C04 | 179.9° | 179.9° |
| C01 | N02 | C03 | N14 | 1.6° | 0.0° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H5 | 120.0° | 120.1° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| N02 | C03 | C04 | N14 | 178.6° | 180.0° |
| N02 | C03 | C04 | C05 | 179.4° | 180.0° |
| N02 | C03 | N14 | C13 | 179.8° | 180.0° |
| C03 | N02 | C01 | H3 | 180.0° | 59.9° |
| C03 | N02 | C01 | H4 | 60.0° | 60.1° |
| C03 | N02 | C01 | H5 | 60.0° | 180.0° |
| C03 | C04 | C05 | N06 | 179.8° | 180.0° |
| C03 | C04 | C05 | N12 | 0.3° | 0.0° |
| C04 | C03 | N14 | C13 | 1.3° | 0.1° |
| C04 | C03 | N02 | H11 | 58.5° | 0.0° |
| C04 | C05 | N06 | C07 | 179.4° | 179.6° |
| C04 | C05 | N06 | N12 | 179.9° | 179.9° |
| C05 | C04 | C03 | N14 | 0.8° | 0.0° |
| C04 | C05 | N12 | C13 | 0.2° | 0.1° |
| N06 | C07 | C09 | C08 | 119.7° | 107.5° |
| N06 | C07 | C09 | H6 | 138.2° | 145.0° |
| N06 | C07 | C08 | H6 | 143.9° | 145.1° |
| C07 | N06 | C05 | N12 | 0.5° | 0.3° |
| C07 | N06 | C10 | H1 | 0.1° | 0.1° |
| N06 | C07 | C08 | H7 | 136.5° | 0.0° |
| N06 | C07 | C08 | H8 | 4.5° | 145.0° |
| N06 | C07 | C09 | H9 | 130.7° | 145.0° |
| N06 | C07 | C09 | H10 | 10.3° | 0.0° |
| C05 | N06 | C07 | C09 | 143.5° | 171.3° |
| C05 | N06 | C07 | C08 | 64.9° | 120.1° |
| N06 | C05 | N12 | C13 | 179.9° | 180.0° |
| C05 | N06 | C10 | H1 | 179.2° | 179.9° |
| C05 | N06 | C07 | H6 | 78.7° | 25.7° |
| C07 | C09 | C08 | H9 | 109.5° | 107.4° |
| C07 | C09 | C08 | H10 | 109.5° | 107.5° |
| C09 | C07 | C08 | H6 | 102.1° | 107.5° |
| C07 | C09 | C08 | H7 | 109.5° | 107.5° |
| C07 | C09 | C08 | H8 | 109.5° | 107.4° |
| C07 | C09 | H9 | H10 | 144.7° | 145.7° |
| C09 | C08 | H7 | H8 | 144.7° | 145.7° |
| C08 | C09 | H9 | H10 | 144.7° | 145.7° |
| C07 | C08 | H7 | H8 | 144.6° | 145.6° |
| C03 | N14 | C13 | N12 | 1.2° | 0.1° |
| C03 | N14 | C13 | H2 | 178.8° | 180.0° |
| N14 | C03 | N02 | H11 | 123.0° | 180.0° |
| C05 | N12 | C13 | N14 | 0.7° | 0.0° |
| C05 | N12 | C13 | H2 | 179.3° | 180.0° |
| N14 | C13 | N12 | H2 | 180.0° | 180.0° |
| H3 | C01 | H4 | H5 | 120.0° | 119.9° |
| H3 | C01 | N02 | H11 | 58.7° | 120.0° |
| H4 | C01 | N02 | H11 | 61.3° | 120.0° |
| H5 | C01 | N02 | H11 | 178.6° | 0.1° |
| H6 | C07 | C08 | H7 | 7.4° | 145.1° |
| H6 | C07 | C08 | H8 | 148.3° | 0.1° |
| H6 | C07 | C09 | H9 | 7.4° | 0.1° |
| H6 | C07 | C09 | H10 | 148.4° | 144.9° |
| H7 | C08 | C09 | H9 | 0.0° | 145.0° |
| H7 | C08 | C09 | H10 | 141.0° | 0.0° |
| H8 | C08 | C09 | H9 | 141.0° | 0.0° |
| H8 | C08 | C09 | H10 | 0.0° | 145.1° |






