YJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C17 | sing | 1.43Å | 1.40Å | |
| O16 | C15 | sing | 1.36Å | 1.41Å | |
| C18 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| N20 | C19 | sing | 1.40Å | 1.49Å | |
| N20 | C21 | sing | 1.35Å | 1.45Å | |
| C19 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| O23 | C21 | doub | 1.21Å | 1.19Å | |
| C21 | C22 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.46Å | |
| N11 | C22 | sing | 1.47Å | 1.42Å | |
| N11 | C10 | sing | 1.38Å | 1.46Å | |
| C06 | N08 | doub | 1.30Å | 1.33Å | Aromatic |
| C06 | C05 | sing | 1.46Å | 1.47Å | Aromatic |
| N08 | O09 | sing | 1.21Å | 1.33Å | Aromatic |
| C05 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | N24 | sing | 1.33Å | 1.33Å | Aromatic |
| O09 | C04 | sing | 1.34Å | 1.35Å | Aromatic |
| C04 | N03 | doub | 1.33Å | 1.36Å | Aromatic |
| N24 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| N03 | C02 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| N20 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O16 | C15 | 115.3° | 117.0° |
| O16 | C17 | H9 | 109.5° | 109.4° |
| O16 | C17 | H10 | 109.5° | 109.4° |
| O16 | C17 | H11 | 109.5° | 109.5° |
| O16 | C15 | C18 | 119.6° | 119.9° |
| O16 | C15 | C14 | 120.8° | 119.9° |
| C15 | C18 | C19 | 120.8° | 119.8° |
| C18 | C15 | C14 | 119.5° | 120.3° |
| C15 | C18 | H12 | 119.6° | 120.1° |
| C18 | C19 | N20 | 119.7° | 120.7° |
| C18 | C19 | C12 | 119.7° | 119.8° |
| C19 | C18 | H12 | 119.6° | 120.1° |
| C15 | C14 | C13 | 119.7° | 120.1° |
| C15 | C14 | H8 | 120.1° | 120.0° |
| C19 | N20 | C21 | 120.3° | 120.8° |
| N20 | C19 | C12 | 120.5° | 119.5° |
| C19 | N20 | H15 | 119.9° | 119.6° |
| N20 | C21 | O23 | 122.4° | 119.6° |
| N20 | C21 | C22 | 114.9° | 120.8° |
| C21 | N20 | H15 | 119.8° | 119.6° |
| C19 | C12 | C13 | 119.6° | 120.2° |
| C19 | C12 | N11 | 118.6° | 118.7° |
| C14 | C13 | C12 | 120.6° | 119.8° |
| C14 | C13 | H7 | 119.7° | 120.1° |
| C13 | C14 | H8 | 120.2° | 119.9° |
| C07 | C06 | N08 | 122.9° | 127.3° |
| C07 | C06 | C05 | 128.9° | 127.4° |
| C06 | C07 | H4 | 109.5° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.4° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| O23 | C21 | C22 | 122.7° | 119.6° |
| C21 | C22 | N11 | 114.9° | 109.0° |
| C21 | C22 | H13 | 108.1° | 109.5° |
| C21 | C22 | H14 | 108.1° | 109.5° |
| C13 | C12 | N11 | 121.8° | 121.1° |
| C12 | C13 | H7 | 119.7° | 120.1° |
| C12 | N11 | C22 | 118.0° | 117.9° |
| C12 | N11 | C10 | 121.9° | 121.1° |
| C22 | N11 | C10 | 118.9° | 121.1° |
| N11 | C22 | H13 | 108.1° | 109.6° |
| N11 | C22 | H14 | 108.1° | 109.6° |
| N11 | C10 | C05 | 123.8° | 121.0° |
| N11 | C10 | N24 | 118.6° | 120.9° |
| N08 | C06 | C05 | 108.1° | 105.3° |
| C06 | N08 | O09 | 108.3° | 113.3° |
| C06 | C05 | C10 | 137.1° | 137.8° |
| C06 | C05 | C04 | 104.1° | 103.2° |
| N08 | O09 | C04 | 111.9° | 113.0° |
| C10 | C05 | C04 | 118.8° | 119.1° |
| C05 | C10 | N24 | 117.7° | 118.1° |
| C05 | C04 | O09 | 107.7° | 105.2° |
| C05 | C04 | N03 | 119.2° | 118.4° |
| C10 | N24 | C02 | 121.7° | 120.9° |
| O09 | C04 | N03 | 133.1° | 136.4° |
| C04 | N03 | C02 | 120.2° | 120.7° |
| N24 | C02 | N03 | 122.4° | 122.9° |
| N24 | C02 | C01 | 118.7° | 118.6° |
| N03 | C02 | C01 | 118.9° | 118.6° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H4 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.4° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H9 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.6° |
| H13 | C22 | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | O16 | C15 | C18 | 162.1° | 180.0° |
| C17 | O16 | C15 | C14 | 18.2° | 0.1° |
| O16 | C17 | H9 | H10 | 120.0° | 119.9° |
| O16 | C17 | H9 | H11 | 120.0° | 120.0° |
| O16 | C17 | H10 | H11 | 120.0° | 120.0° |
| O16 | C15 | C18 | C14 | 179.7° | 180.0° |
| O16 | C15 | C18 | C19 | 179.9° | 179.9° |
| O16 | C15 | C14 | C13 | 179.7° | 179.9° |
| O16 | C15 | C14 | H8 | 0.2° | 0.0° |
| C15 | O16 | C17 | H9 | 180.0° | 60.1° |
| C15 | O16 | C17 | H10 | 60.0° | 180.0° |
| C15 | O16 | C17 | H11 | 60.0° | 59.9° |
| O16 | C15 | C18 | H12 | 0.1° | 0.0° |
| C15 | C18 | C19 | H12 | 180.0° | 179.9° |
| C15 | C18 | C19 | N20 | 179.5° | 179.5° |
| C15 | C18 | C19 | C12 | 0.1° | 0.2° |
| C18 | C15 | C14 | C13 | 0.5° | 0.1° |
| C18 | C15 | C14 | H8 | 179.5° | 179.9° |
| C19 | C18 | C15 | C14 | 0.4° | 0.1° |
| C18 | C19 | N20 | C12 | 179.4° | 179.7° |
| C18 | C19 | N20 | C21 | 165.7° | 166.0° |
| C18 | C19 | C12 | C13 | 0.5° | 0.2° |
| C18 | C19 | C12 | N11 | 178.8° | 179.5° |
| C18 | C19 | N20 | H15 | 14.3° | 14.1° |
| C15 | C14 | C13 | H8 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | H7 | 179.8° | 179.9° |
| C14 | C15 | C18 | H12 | 179.6° | 180.0° |
| C19 | N20 | C21 | H15 | 180.0° | 179.9° |
| C19 | N20 | C21 | O23 | 179.6° | 177.3° |
| C19 | N20 | C21 | C22 | 1.2° | 2.4° |
| N20 | C19 | C12 | C13 | 179.8° | 179.5° |
| N20 | C19 | C12 | N11 | 1.9° | 0.7° |
| N20 | C19 | C18 | H12 | 0.5° | 0.4° |
| C21 | N20 | C19 | C12 | 13.7° | 14.3° |
| N20 | C21 | O23 | C22 | 179.2° | 179.7° |
| N20 | C21 | C22 | N11 | 26.1° | 29.1° |
| N20 | C21 | C22 | H13 | 146.9° | 90.8° |
| N20 | C21 | C22 | H14 | 94.7° | 149.0° |
| C19 | C12 | C13 | C14 | 0.3° | 0.1° |
| C19 | C12 | C13 | N11 | 178.2° | 179.8° |
| C19 | C12 | N11 | C22 | 31.2° | 29.2° |
| C19 | C12 | N11 | C10 | 161.4° | 150.8° |
| C19 | C12 | C13 | H7 | 179.7° | 179.9° |
| C12 | C19 | C18 | H12 | 179.9° | 179.8° |
| C12 | C19 | N20 | H15 | 166.3° | 165.7° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 178.5° | 179.7° |
| C07 | C06 | N08 | C05 | 179.5° | 179.4° |
| C07 | C06 | N08 | O09 | 179.6° | 180.0° |
| C07 | C06 | C05 | C10 | 1.1° | 0.6° |
| C07 | C06 | C05 | C04 | 179.6° | 179.7° |
| C06 | C07 | H4 | H5 | 120.0° | 119.9° |
| C06 | C07 | H4 | H6 | 120.0° | 120.1° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| O23 | C21 | C22 | N11 | 153.1° | 150.6° |
| O23 | C21 | C22 | H13 | 32.3° | 89.5° |
| O23 | C21 | C22 | H14 | 86.1° | 30.7° |
| O23 | C21 | N20 | H15 | 0.4° | 2.6° |
| C21 | C22 | N11 | C12 | 42.8° | 42.0° |
| C21 | C22 | N11 | H13 | 120.8° | 119.8° |
| C21 | C22 | N11 | H14 | 120.8° | 119.8° |
| C21 | C22 | N11 | C10 | 149.3° | 138.0° |
| C21 | C22 | H13 | H14 | 117.5° | 120.2° |
| C22 | C21 | N20 | H15 | 178.8° | 177.6° |
| C13 | C12 | N11 | C22 | 150.6° | 150.6° |
| C13 | C12 | N11 | C10 | 16.9° | 29.4° |
| C12 | C13 | C14 | H8 | 179.8° | 180.0° |
| C12 | N11 | C22 | C10 | 167.8° | 180.0° |
| C12 | N11 | C10 | C05 | 55.0° | 89.8° |
| C12 | N11 | C10 | N24 | 126.2° | 89.9° |
| N11 | C12 | C13 | H7 | 1.5° | 0.3° |
| C12 | N11 | C22 | H13 | 163.6° | 77.8° |
| C12 | N11 | C22 | H14 | 78.0° | 161.8° |
| C22 | N11 | C10 | C05 | 137.7° | 90.2° |
| C22 | N11 | C10 | N24 | 41.2° | 90.1° |
| N11 | C22 | H13 | H14 | 117.6° | 120.3° |
| N11 | C10 | C05 | C06 | 1.0° | 0.3° |
| N11 | C10 | C05 | N24 | 178.9° | 179.7° |
| N11 | C10 | C05 | C04 | 179.7° | 180.0° |
| N11 | C10 | N24 | C02 | 179.8° | 179.8° |
| C10 | N11 | C22 | H13 | 28.5° | 102.1° |
| C10 | N11 | C22 | H14 | 89.9° | 18.2° |
| N08 | C06 | C05 | C10 | 179.4° | 180.0° |
| N08 | C06 | C05 | C04 | 0.1° | 0.3° |
| C06 | N08 | O09 | C04 | 0.0° | 0.7° |
| N08 | C06 | C07 | H4 | 0.0° | 88.1° |
| N08 | C06 | C07 | H5 | 120.0° | 152.0° |
| N08 | C06 | C07 | H6 | 120.0° | 32.0° |
| C05 | C06 | N08 | O09 | 0.1° | 0.6° |
| C06 | C05 | C10 | C04 | 179.3° | 179.7° |
| C06 | C05 | C10 | N24 | 179.9° | 180.0° |
| C06 | C05 | C04 | O09 | 0.1° | 0.1° |
| C06 | C05 | C04 | N03 | 180.0° | 180.0° |
| C05 | C06 | C07 | H4 | 179.4° | 92.6° |
| C05 | C06 | C07 | H5 | 60.6° | 27.4° |
| C05 | C06 | C07 | H6 | 59.4° | 147.3° |
| N08 | O09 | C04 | C05 | 0.1° | 0.5° |
| N08 | O09 | C04 | N03 | 179.9° | 179.6° |
| C10 | C05 | C04 | O09 | 179.6° | 179.6° |
| C10 | C05 | C04 | N03 | 0.6° | 0.3° |
| C05 | C10 | N24 | C02 | 0.8° | 0.1° |
| C04 | C05 | C10 | N24 | 0.9° | 0.3° |
| C05 | C04 | O09 | N03 | 179.8° | 179.9° |
| C05 | C04 | N03 | C02 | 0.1° | 0.0° |
| C10 | N24 | C02 | N03 | 0.4° | 0.2° |
| C10 | N24 | C02 | C01 | 179.6° | 180.0° |
| O09 | C04 | N03 | C02 | 180.0° | 179.9° |
| C04 | N03 | C02 | N24 | 0.1° | 0.3° |
| C04 | N03 | C02 | C01 | 180.0° | 180.0° |
| N24 | C02 | N03 | C01 | 180.0° | 179.7° |
| N24 | C02 | C01 | H1 | 0.0° | 90.2° |
| N24 | C02 | C01 | H2 | 120.0° | 29.7° |
| N24 | C02 | C01 | H3 | 120.0° | 149.7° |
| N03 | C02 | C01 | H1 | 180.0° | 90.0° |
| N03 | C02 | C01 | H2 | 60.0° | 150.0° |
| N03 | C02 | C01 | H3 | 59.9° | 30.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C07 | H5 | H6 | 120.0° | 120.0° |
| H7 | C13 | C14 | H8 | 0.2° | 0.0° |
| H9 | C17 | H10 | H11 | 120.0° | 120.1° |
