YIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| O12 | C10 | doub | 1.21Å | 1.19Å | |
| C10 | N09 | sing | 1.35Å | 1.45Å | |
| N09 | C08 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.52Å | |
| C03 | N02 | sing | 1.35Å | 1.45Å | |
| C03 | O15 | doub | 1.22Å | 1.20Å | |
| N02 | O01 | sing | 1.42Å | 1.41Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N02 | H10 | sing | 0.97Å | 1.00Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| O01 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | O12 | 121.0° | 120.0° |
| C11 | C10 | N09 | 118.4° | 120.0° |
| C10 | C11 | H1 | 109.5° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.5° |
| C10 | C11 | H3 | 109.5° | 109.5° |
| O12 | C10 | N09 | 120.6° | 120.0° |
| C10 | N09 | C08 | 118.6° | 120.0° |
| C10 | N09 | H11 | 120.7° | 120.0° |
| N09 | C08 | C07 | 112.6° | 109.5° |
| N09 | C08 | H6 | 108.7° | 109.5° |
| N09 | C08 | H7 | 108.7° | 109.5° |
| C08 | N09 | H11 | 120.7° | 120.0° |
| C08 | C07 | C06 | 119.7° | 119.8° |
| C08 | C07 | C13 | 120.1° | 119.9° |
| C07 | C08 | H6 | 108.7° | 109.5° |
| C07 | C08 | H7 | 108.7° | 109.5° |
| C06 | C07 | C13 | 120.2° | 120.3° |
| C07 | C06 | C05 | 119.5° | 120.1° |
| C07 | C06 | H5 | 120.3° | 119.9° |
| C07 | C13 | C14 | 120.4° | 120.2° |
| C07 | C13 | H8 | 119.8° | 119.9° |
| C06 | C05 | C04 | 120.5° | 119.9° |
| C06 | C05 | H4 | 119.8° | 120.1° |
| C05 | C06 | H5 | 120.2° | 120.0° |
| C13 | C14 | C04 | 119.1° | 119.8° |
| C14 | C13 | H8 | 119.8° | 119.9° |
| C13 | C14 | H9 | 120.4° | 120.1° |
| C05 | C04 | C14 | 120.3° | 119.7° |
| C05 | C04 | C03 | 118.5° | 120.1° |
| C04 | C05 | H4 | 119.8° | 120.1° |
| C14 | C04 | C03 | 121.1° | 120.1° |
| C04 | C14 | H9 | 120.5° | 120.1° |
| C04 | C03 | N02 | 117.9° | 120.0° |
| C04 | C03 | O15 | 121.7° | 120.0° |
| N02 | C03 | O15 | 120.4° | 120.0° |
| C03 | N02 | O01 | 119.9° | 120.0° |
| C03 | N02 | H10 | 120.1° | 119.9° |
| O01 | N02 | H10 | 120.0° | 120.1° |
| N02 | O01 | H12 | 109.5° | 114.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H1 | C11 | H3 | 109.5° | 109.4° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | O12 | N09 | 179.6° | 179.7° |
| C11 | C10 | N09 | C08 | 179.3° | 180.0° |
| C10 | C11 | H1 | H2 | 120.0° | 120.0° |
| C10 | C11 | H1 | H3 | 120.0° | 120.0° |
| C10 | C11 | H2 | H3 | 120.0° | 120.0° |
| C11 | C10 | N09 | H11 | 0.7° | 0.0° |
| O12 | C10 | N09 | C08 | 1.0° | 0.3° |
| O12 | C10 | C11 | H1 | 0.0° | 179.7° |
| O12 | C10 | C11 | H2 | 120.0° | 60.3° |
| O12 | C10 | C11 | H3 | 120.0° | 59.7° |
| O12 | C10 | N09 | H11 | 179.0° | 179.7° |
| C10 | N09 | C08 | H11 | 180.0° | 180.0° |
| C10 | N09 | C08 | C07 | 98.5° | 180.0° |
| N09 | C10 | C11 | H1 | 179.7° | 0.0° |
| N09 | C10 | C11 | H2 | 59.7° | 120.0° |
| N09 | C10 | C11 | H3 | 60.3° | 120.0° |
| C10 | N09 | C08 | H6 | 22.0° | 60.0° |
| C10 | N09 | C08 | H7 | 141.1° | 60.0° |
| N09 | C08 | C07 | H6 | 120.4° | 120.0° |
| N09 | C08 | C07 | H7 | 120.5° | 120.0° |
| N09 | C08 | C07 | C06 | 57.1° | 90.0° |
| N09 | C08 | C07 | C13 | 124.5° | 90.0° |
| N09 | C08 | H6 | H7 | 118.6° | 120.0° |
| C08 | C07 | C06 | C13 | 178.4° | 180.0° |
| C08 | C07 | C06 | C05 | 179.2° | 180.0° |
| C08 | C07 | C13 | C14 | 179.0° | 179.7° |
| C08 | C07 | C06 | H5 | 0.8° | 0.0° |
| C07 | C08 | H6 | H7 | 118.6° | 120.0° |
| C08 | C07 | C13 | H8 | 0.9° | 0.0° |
| C07 | C08 | N09 | H11 | 81.6° | 0.0° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C06 | C07 | C13 | C14 | 0.7° | 0.3° |
| C07 | C06 | C05 | C04 | 0.9° | 0.0° |
| C07 | C06 | C05 | H4 | 179.0° | 180.0° |
| C06 | C07 | C08 | H6 | 63.3° | 150.0° |
| C06 | C07 | C08 | H7 | 177.6° | 30.0° |
| C06 | C07 | C13 | H8 | 179.3° | 180.0° |
| C13 | C07 | C06 | C05 | 0.9° | 0.0° |
| C07 | C13 | C14 | H8 | 180.0° | 179.7° |
| C07 | C13 | C14 | C04 | 0.5° | 0.5° |
| C13 | C07 | C06 | H5 | 179.1° | 180.0° |
| C13 | C07 | C08 | H6 | 115.0° | 30.0° |
| C13 | C07 | C08 | H7 | 4.1° | 150.0° |
| C07 | C13 | C14 | H9 | 179.5° | 180.0° |
| C06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C06 | C05 | C04 | C14 | 0.8° | 0.2° |
| C06 | C05 | C04 | C03 | 179.4° | 180.0° |
| C13 | C14 | C04 | C05 | 0.6° | 0.5° |
| C13 | C14 | C04 | H9 | 180.0° | 179.5° |
| C13 | C14 | C04 | C03 | 179.2° | 179.7° |
| C05 | C04 | C14 | C03 | 178.6° | 179.8° |
| C05 | C04 | C03 | N02 | 7.5° | 180.0° |
| C05 | C04 | C03 | O15 | 170.8° | 0.1° |
| C04 | C05 | C06 | H5 | 179.1° | 180.0° |
| C05 | C04 | C14 | H9 | 179.4° | 180.0° |
| C14 | C04 | C03 | N02 | 173.9° | 0.2° |
| C14 | C04 | C03 | O15 | 7.8° | 179.7° |
| C14 | C04 | C05 | H4 | 179.2° | 179.8° |
| C04 | C14 | C13 | H8 | 179.4° | 179.7° |
| C04 | C03 | N02 | O15 | 178.3° | 180.0° |
| C04 | C03 | N02 | O01 | 179.6° | 180.0° |
| C03 | C04 | C05 | H4 | 0.5° | 0.0° |
| C03 | C04 | C14 | H9 | 0.8° | 0.2° |
| C04 | C03 | N02 | H10 | 0.4° | 0.0° |
| C03 | N02 | O01 | H10 | 180.0° | 180.0° |
| C03 | N02 | O01 | H12 | 0.6° | 180.0° |
| O15 | C03 | N02 | O01 | 1.3° | 0.0° |
| O15 | C03 | N02 | H10 | 178.7° | 180.0° |
| H1 | C11 | H2 | H3 | 120.0° | 119.9° |
| H4 | C05 | C06 | H5 | 1.0° | 0.0° |
| H6 | C08 | N09 | H11 | 158.0° | 120.0° |
| H7 | C08 | N09 | H11 | 38.9° | 120.0° |
| H8 | C13 | C14 | H9 | 0.6° | 0.2° |
| H10 | N02 | O01 | H12 | 179.4° | 0.0° |
