9Y4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C12 | C02 | sing | 1.51Å | 1.53Å | |
| C12 | N13 | sing | 1.46Å | 1.46Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C14 | sing | 1.40Å | 1.44Å | |
| C14 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| N03 | C04 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.52Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| N03 | H17 | sing | 0.97Å | 1.00Å | |
| N13 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C12 | 122.8° | 120.0° |
| O01 | C02 | N03 | 120.8° | 120.0° |
| C02 | C12 | N13 | 108.8° | 109.5° |
| C12 | C02 | N03 | 116.3° | 120.0° |
| C02 | C12 | H10 | 109.6° | 109.4° |
| C02 | C12 | H11 | 109.7° | 109.5° |
| C12 | N13 | C14 | 120.8° | 120.0° |
| N13 | C12 | H10 | 109.6° | 109.5° |
| N13 | C12 | H11 | 109.6° | 109.5° |
| C12 | N13 | H18 | 106.6° | 120.0° |
| C16 | C15 | C14 | 119.5° | 119.9° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H12 | 120.2° | 120.0° |
| C15 | C16 | H13 | 120.1° | 120.0° |
| C15 | C14 | N13 | 118.3° | 120.1° |
| C15 | C14 | C19 | 120.8° | 119.8° |
| C14 | C15 | H12 | 120.2° | 120.0° |
| C02 | N03 | C04 | 120.5° | 120.0° |
| C02 | N03 | H17 | 119.7° | 120.1° |
| C16 | C17 | C18 | 120.4° | 120.2° |
| C17 | C16 | H13 | 120.1° | 119.9° |
| C16 | C17 | H14 | 119.8° | 120.0° |
| N13 | C14 | C19 | 120.8° | 120.1° |
| C14 | N13 | H18 | 106.6° | 120.0° |
| C14 | C19 | C18 | 119.4° | 119.9° |
| C14 | C19 | H16 | 120.3° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C18 | C17 | H14 | 119.8° | 119.9° |
| C17 | C18 | H15 | 120.0° | 120.0° |
| N03 | C04 | C05 | 114.5° | 109.5° |
| N03 | C04 | H1 | 108.2° | 109.5° |
| N03 | C04 | H2 | 108.2° | 109.4° |
| C04 | N03 | H17 | 119.7° | 119.9° |
| C04 | C05 | C06 | 117.0° | 120.0° |
| C04 | C05 | C11 | 123.6° | 120.0° |
| C05 | C04 | H1 | 108.2° | 109.5° |
| C05 | C04 | H2 | 108.2° | 109.5° |
| C19 | C18 | H15 | 120.0° | 119.9° |
| C18 | C19 | H16 | 120.3° | 120.1° |
| C06 | C05 | C11 | 119.3° | 120.0° |
| C05 | C06 | C07 | 121.4° | 120.0° |
| C05 | C06 | H3 | 119.3° | 120.0° |
| C05 | C11 | C10 | 119.0° | 120.0° |
| C05 | C11 | H9 | 120.5° | 120.0° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C07 | C06 | H3 | 119.3° | 120.0° |
| C06 | C07 | H4 | 120.0° | 120.0° |
| C11 | C10 | C08 | 120.8° | 120.0° |
| C11 | C10 | H8 | 119.6° | 120.0° |
| C10 | C11 | H9 | 120.5° | 120.0° |
| C07 | C08 | C10 | 119.5° | 120.0° |
| C07 | C08 | C09 | 117.4° | 120.0° |
| C08 | C07 | H4 | 120.0° | 120.0° |
| C10 | C08 | C09 | 123.1° | 120.0° |
| C08 | C10 | H8 | 119.6° | 120.0° |
| C08 | C09 | H5 | 109.5° | 109.5° |
| C08 | C09 | H6 | 109.5° | 109.5° |
| C08 | C09 | H7 | 109.5° | 109.5° |
| H1 | C04 | H2 | 109.5° | 109.4° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H5 | C09 | H7 | 109.5° | 109.5° |
| H6 | C09 | H7 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C12 | N03 | 177.9° | 179.8° |
| O01 | C02 | C12 | N13 | 158.4° | 0.2° |
| O01 | C02 | N03 | C04 | 0.5° | 0.3° |
| O01 | C02 | C12 | H10 | 38.5° | 119.8° |
| O01 | C02 | C12 | H11 | 81.7° | 120.3° |
| O01 | C02 | N03 | H17 | 179.5° | 179.8° |
| C02 | C12 | N13 | H10 | 119.9° | 119.9° |
| C02 | C12 | N13 | H11 | 119.9° | 120.0° |
| C02 | C12 | N13 | C14 | 164.7° | 180.0° |
| C12 | C02 | N03 | C04 | 178.4° | 180.0° |
| C02 | C12 | H10 | H11 | 120.3° | 120.0° |
| C12 | C02 | N03 | H17 | 1.6° | 0.0° |
| C02 | C12 | N13 | H18 | 43.1° | 0.0° |
| C12 | N13 | C14 | C15 | 100.7° | 0.2° |
| N13 | C12 | C02 | N03 | 19.5° | 180.0° |
| C12 | N13 | C14 | H18 | 121.6° | 179.9° |
| C12 | N13 | C14 | C19 | 80.2° | 180.0° |
| N13 | C12 | H10 | H11 | 120.3° | 120.1° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | N13 | 179.7° | 179.8° |
| C16 | C15 | C14 | C19 | 1.2° | 0.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H14 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.9° | 0.0° |
| C15 | C14 | N13 | C19 | 179.1° | 179.8° |
| C15 | C14 | C19 | C18 | 0.4° | 0.0° |
| C14 | C15 | C16 | H13 | 179.1° | 180.0° |
| C15 | C14 | C19 | H16 | 179.6° | 180.0° |
| C15 | C14 | N13 | H18 | 137.7° | 179.7° |
| C02 | N03 | C04 | H17 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 144.3° | 180.0° |
| C02 | N03 | C04 | H1 | 23.6° | 60.0° |
| C02 | N03 | C04 | H2 | 95.0° | 60.0° |
| N03 | C02 | C12 | H10 | 139.4° | 60.0° |
| N03 | C02 | C12 | H11 | 100.4° | 60.0° |
| C16 | C17 | C18 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.0° |
| C17 | C16 | C15 | H12 | 179.2° | 179.9° |
| C16 | C17 | C18 | H15 | 179.0° | 180.0° |
| N13 | C14 | C19 | C18 | 179.4° | 179.8° |
| C14 | N13 | C12 | H10 | 75.4° | 60.1° |
| C14 | N13 | C12 | H11 | 44.8° | 59.9° |
| N13 | C14 | C15 | H12 | 0.2° | 0.3° |
| N13 | C14 | C19 | H16 | 0.6° | 0.1° |
| C14 | C19 | C18 | C17 | 0.7° | 0.0° |
| C14 | C19 | C18 | H16 | 180.0° | 179.9° |
| C19 | C14 | C15 | H12 | 178.9° | 179.9° |
| C14 | C19 | C18 | H15 | 179.3° | 180.0° |
| C19 | C14 | N13 | H18 | 41.4° | 0.1° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C18 | C17 | C16 | H13 | 179.8° | 180.0° |
| C17 | C18 | C19 | H16 | 179.3° | 180.0° |
| N03 | C04 | C05 | H1 | 120.7° | 120.0° |
| N03 | C04 | C05 | H2 | 120.7° | 120.0° |
| N03 | C04 | C05 | C06 | 132.1° | 90.0° |
| N03 | C04 | C05 | C11 | 51.2° | 90.2° |
| N03 | C04 | H1 | H2 | 117.7° | 119.9° |
| C04 | C05 | C06 | C11 | 176.9° | 179.8° |
| C04 | C05 | C06 | C07 | 178.4° | 180.0° |
| C04 | C05 | C11 | C10 | 177.3° | 179.8° |
| C05 | C04 | H1 | H2 | 117.7° | 120.0° |
| C04 | C05 | C06 | H3 | 1.6° | 0.0° |
| C04 | C05 | C11 | H9 | 2.7° | 0.1° |
| C05 | C04 | N03 | H17 | 35.7° | 0.1° |
| C19 | C18 | C17 | H14 | 179.0° | 180.0° |
| C05 | C06 | C07 | H3 | 180.0° | 180.0° |
| C06 | C05 | C11 | C10 | 0.6° | 0.4° |
| C05 | C06 | C07 | C08 | 1.9° | 0.0° |
| C06 | C05 | C04 | H1 | 107.2° | 150.0° |
| C06 | C05 | C04 | H2 | 11.3° | 30.0° |
| C05 | C06 | C07 | H4 | 178.1° | 180.0° |
| C06 | C05 | C11 | H9 | 179.4° | 179.7° |
| C11 | C05 | C06 | C07 | 1.6° | 0.2° |
| C05 | C11 | C10 | H9 | 180.0° | 179.9° |
| C05 | C11 | C10 | C08 | 0.0° | 0.3° |
| C11 | C05 | C04 | H1 | 69.5° | 29.8° |
| C11 | C05 | C04 | H2 | 171.9° | 149.8° |
| C11 | C05 | C06 | H3 | 178.4° | 179.8° |
| C05 | C11 | C10 | H8 | 180.0° | 179.8° |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C06 | C07 | C08 | C10 | 1.2° | 0.0° |
| C06 | C07 | C08 | C09 | 180.0° | 180.0° |
| C11 | C10 | C08 | C07 | 0.3° | 0.1° |
| C11 | C10 | C08 | H8 | 180.0° | 179.9° |
| C11 | C10 | C08 | C09 | 179.0° | 179.9° |
| C07 | C08 | C10 | C09 | 178.7° | 180.0° |
| C08 | C07 | C06 | H3 | 178.1° | 180.0° |
| C07 | C08 | C09 | H5 | 89.4° | 90.0° |
| C07 | C08 | C09 | H6 | 150.6° | 150.0° |
| C07 | C08 | C09 | H7 | 30.6° | 30.0° |
| C07 | C08 | C10 | H8 | 179.7° | 180.0° |
| C10 | C08 | C07 | H4 | 178.8° | 180.0° |
| C10 | C08 | C09 | H5 | 89.3° | 90.0° |
| C10 | C08 | C09 | H6 | 30.7° | 30.0° |
| C10 | C08 | C09 | H7 | 150.7° | 150.0° |
| C08 | C10 | C11 | H9 | 180.0° | 179.7° |
| C09 | C08 | C07 | H4 | 0.0° | 0.0° |
| C08 | C09 | H5 | H6 | 120.0° | 120.0° |
| C08 | C09 | H5 | H7 | 120.0° | 120.0° |
| C08 | C09 | H6 | H7 | 120.0° | 120.0° |
| C09 | C08 | C10 | H8 | 1.0° | 0.0° |
| H1 | C04 | N03 | H17 | 156.4° | 120.0° |
| H2 | C04 | N03 | H17 | 85.0° | 120.1° |
| H3 | C06 | C07 | H4 | 1.9° | 0.0° |
| H5 | C09 | H6 | H7 | 120.0° | 120.0° |
| H8 | C10 | C11 | H9 | 0.0° | 0.1° |
| H10 | C12 | N13 | H18 | 163.0° | 120.0° |
| H11 | C12 | N13 | H18 | 76.8° | 120.0° |
| H12 | C15 | C16 | H13 | 0.8° | 0.0° |
| H13 | C16 | C17 | H14 | 0.2° | 0.0° |
| H14 | C17 | C18 | H15 | 1.0° | 0.0° |
| H15 | C18 | C19 | H16 | 0.7° | 0.1° |
