WY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O18 | sing | 1.34Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.35Å | 1.34Å | Aromatic |
| O18 | C14 | sing | 1.35Å | 1.31Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.47Å | 1.51Å | |
| O12 | C13 | sing | 1.35Å | 1.27Å | Aromatic |
| O12 | N11 | sing | 1.21Å | 1.42Å | Aromatic |
| C13 | C19 | doub | 1.37Å | 1.32Å | Aromatic |
| N11 | C10 | doub | 1.30Å | 1.31Å | Aromatic |
| C19 | C10 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.47Å | |
| C09 | N08 | sing | 1.46Å | 1.43Å | |
| C20 | N08 | sing | 1.34Å | 1.32Å | Aromatic |
| C20 | N21 | doub | 1.31Å | 1.32Å | Aromatic |
| N08 | C07 | sing | 1.37Å | 1.34Å | Aromatic |
| N21 | C02 | sing | 1.34Å | 1.30Å | Aromatic |
| C07 | N06 | doub | 1.32Å | 1.30Å | Aromatic |
| C07 | C03 | sing | 1.41Å | 1.31Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.30Å | Aromatic |
| C02 | C03 | doub | 1.41Å | 1.38Å | Aromatic |
| C02 | N01 | sing | 1.37Å | 1.41Å | |
| C03 | N04 | sing | 1.34Å | 1.35Å | Aromatic |
| C05 | N04 | doub | 1.32Å | 1.29Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C16 | 108.9° | 108.7° |
| C17 | O18 | C14 | 107.9° | 109.4° |
| O18 | C17 | H171 | 125.6° | 125.6° |
| C17 | C16 | C15 | 107.0° | 107.1° |
| C16 | C17 | H171 | 125.6° | 125.7° |
| C17 | C16 | H161 | 126.5° | 126.5° |
| O18 | C14 | C15 | 109.6° | 108.1° |
| O18 | C14 | C13 | 129.7° | 126.0° |
| C16 | C15 | C14 | 106.5° | 106.7° |
| C16 | C15 | H151 | 126.8° | 126.6° |
| C15 | C16 | H161 | 126.5° | 126.5° |
| C15 | C14 | C13 | 120.6° | 126.0° |
| C14 | C15 | H151 | 126.7° | 126.6° |
| C14 | C13 | O12 | 128.2° | 127.0° |
| C14 | C13 | C19 | 123.8° | 127.0° |
| C13 | O12 | N11 | 110.9° | 111.4° |
| O12 | C13 | C19 | 107.7° | 106.0° |
| O12 | N11 | C10 | 103.6° | 112.0° |
| C13 | C19 | C10 | 108.9° | 103.9° |
| C13 | C19 | H191 | 125.6° | 128.0° |
| N11 | C10 | C19 | 108.9° | 106.7° |
| N11 | C10 | C09 | 127.3° | 126.6° |
| C19 | C10 | C09 | 123.7° | 126.7° |
| C10 | C19 | H191 | 125.6° | 128.1° |
| C10 | C09 | N08 | 121.9° | 109.5° |
| C10 | C09 | H091 | 106.3° | 109.5° |
| C10 | C09 | H092 | 106.3° | 109.5° |
| C09 | N08 | C20 | 118.6° | 120.1° |
| C09 | N08 | C07 | 123.2° | 120.1° |
| N08 | C09 | H091 | 106.3° | 109.5° |
| N08 | C09 | H092 | 106.3° | 109.5° |
| N08 | C20 | N21 | 122.8° | 122.4° |
| C20 | N08 | C07 | 117.8° | 119.8° |
| N08 | C20 | H201 | 118.6° | 118.8° |
| C20 | N21 | C02 | 119.7° | 122.0° |
| N21 | C20 | H201 | 118.6° | 118.8° |
| N08 | C07 | N06 | 131.8° | 135.1° |
| N08 | C07 | C03 | 120.9° | 118.4° |
| N21 | C02 | C03 | 119.7° | 119.1° |
| N21 | C02 | N01 | 121.0° | 120.4° |
| N06 | C07 | C03 | 107.2° | 106.4° |
| C07 | N06 | C05 | 108.4° | 108.8° |
| C07 | C03 | C02 | 119.1° | 118.3° |
| C07 | C03 | N04 | 108.7° | 106.4° |
| N06 | C05 | N04 | 110.9° | 110.2° |
| N06 | C05 | H051 | 124.6° | 125.0° |
| C03 | C02 | N01 | 119.3° | 120.4° |
| C02 | C03 | N04 | 132.2° | 135.3° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C03 | N04 | C05 | 104.8° | 108.2° |
| N04 | C05 | H051 | 124.6° | 124.9° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H012 | N01 | H011 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C16 | H171 | 180.0° | 180.0° |
| O18 | C17 | C16 | C15 | 1.9° | 0.1° |
| C17 | O18 | C14 | C15 | 2.9° | 0.2° |
| C17 | O18 | C14 | C13 | 178.5° | 179.8° |
| O18 | C17 | C16 | H161 | 178.1° | 179.9° |
| C16 | C17 | O18 | C14 | 3.0° | 0.0° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.1° | 0.2° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| O18 | C14 | C15 | C16 | 1.7° | 0.2° |
| O18 | C14 | C15 | C13 | 176.1° | 180.0° |
| O18 | C14 | C13 | O12 | 4.7° | 179.8° |
| O18 | C14 | C13 | C19 | 178.0° | 0.0° |
| O18 | C14 | C15 | H151 | 178.3° | 180.0° |
| C14 | O18 | C17 | H171 | 177.0° | 180.0° |
| C16 | C15 | C14 | H151 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 177.8° | 179.8° |
| C15 | C16 | C17 | H171 | 178.1° | 179.9° |
| C15 | C14 | C13 | O12 | 170.5° | 0.2° |
| C15 | C14 | C13 | C19 | 2.8° | 180.0° |
| C14 | C15 | C16 | H161 | 179.9° | 179.9° |
| C14 | C13 | O12 | C19 | 174.2° | 179.9° |
| C14 | C13 | O12 | N11 | 175.7° | 179.9° |
| C14 | C13 | C19 | C10 | 177.1° | 180.0° |
| C13 | C14 | C15 | H151 | 2.2° | 0.0° |
| C14 | C13 | C19 | H191 | 2.9° | 0.1° |
| C13 | O12 | N11 | C10 | 0.1° | 0.1° |
| O12 | C13 | C19 | C10 | 2.6° | 0.2° |
| O12 | C13 | C19 | H191 | 177.4° | 179.8° |
| N11 | O12 | C13 | C19 | 1.6° | 0.0° |
| O12 | N11 | C10 | C19 | 1.7° | 0.3° |
| O12 | N11 | C10 | C09 | 178.0° | 180.0° |
| C13 | C19 | C10 | N11 | 2.7° | 0.3° |
| C13 | C19 | C10 | H191 | 180.0° | 180.0° |
| C13 | C19 | C10 | C09 | 179.2° | 180.0° |
| N11 | C10 | C19 | C09 | 176.5° | 179.7° |
| N11 | C10 | C09 | N08 | 138.2° | 85.4° |
| N11 | C10 | C09 | H091 | 16.5° | 34.6° |
| N11 | C10 | C09 | H092 | 100.0° | 154.6° |
| N11 | C10 | C19 | H191 | 177.3° | 179.7° |
| C19 | C10 | C09 | N08 | 45.9° | 95.0° |
| C19 | C10 | C09 | H091 | 167.6° | 145.0° |
| C19 | C10 | C09 | H092 | 75.8° | 25.0° |
| C10 | C09 | N08 | H091 | 121.7° | 120.0° |
| C10 | C09 | N08 | H092 | 121.7° | 120.0° |
| C10 | C09 | N08 | C20 | 98.9° | 90.0° |
| C10 | C09 | N08 | C07 | 89.5° | 90.0° |
| C10 | C09 | H091 | H092 | 114.4° | 120.0° |
| C09 | C10 | C19 | H191 | 0.8° | 0.0° |
| C09 | N08 | C20 | C07 | 172.1° | 180.0° |
| C09 | N08 | C20 | N21 | 173.5° | 180.0° |
| C09 | N08 | C07 | N06 | 9.6° | 0.0° |
| C09 | N08 | C07 | C03 | 174.4° | 180.0° |
| C09 | N08 | C20 | H201 | 6.5° | 0.2° |
| N08 | C09 | H091 | H092 | 114.4° | 120.0° |
| N08 | C20 | N21 | H201 | 180.0° | 179.8° |
| N08 | C20 | N21 | C02 | 1.2° | 0.0° |
| C20 | N08 | C07 | N06 | 178.8° | 180.0° |
| C20 | N08 | C07 | C03 | 2.8° | 0.0° |
| C20 | N08 | C09 | H091 | 139.4° | 30.0° |
| C20 | N08 | C09 | H092 | 22.8° | 150.0° |
| N21 | C20 | N08 | C07 | 1.4° | 0.0° |
| C20 | N21 | C02 | C03 | 2.3° | 0.1° |
| C20 | N21 | C02 | N01 | 179.3° | 180.0° |
| N08 | C07 | N06 | C03 | 176.4° | 180.0° |
| N08 | C07 | N06 | C05 | 177.1° | 180.0° |
| N08 | C07 | C03 | C02 | 1.7° | 0.0° |
| N08 | C07 | C03 | N04 | 179.2° | 180.0° |
| C07 | N08 | C20 | H201 | 178.6° | 179.7° |
| C07 | N08 | C09 | H091 | 32.2° | 150.0° |
| C07 | N08 | C09 | H092 | 148.8° | 30.0° |
| N21 | C02 | C03 | C07 | 0.9° | 0.1° |
| N21 | C02 | C03 | N01 | 178.4° | 179.9° |
| N21 | C02 | C03 | N04 | 177.9° | 179.9° |
| C02 | N21 | C20 | H201 | 178.9° | 179.8° |
| N21 | C02 | N01 | H012 | 0.0° | 179.9° |
| N21 | C02 | N01 | H011 | 120.0° | 0.1° |
| N06 | C07 | C03 | C02 | 178.5° | 180.0° |
| N06 | C07 | C03 | N04 | 2.3° | 0.0° |
| C07 | N06 | C05 | N04 | 1.2° | 0.0° |
| C07 | N06 | C05 | H051 | 178.8° | 180.0° |
| C03 | C07 | N06 | C05 | 0.7° | 0.0° |
| C07 | C03 | C02 | N04 | 178.9° | 180.0° |
| C07 | C03 | C02 | N01 | 179.3° | 180.0° |
| C07 | C03 | N04 | C05 | 3.0° | 0.0° |
| N06 | C05 | N04 | C03 | 2.6° | 0.0° |
| N06 | C05 | N04 | H051 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 178.0° | 180.0° |
| C03 | C02 | N01 | H012 | 178.4° | 0.0° |
| C03 | C02 | N01 | H011 | 61.6° | 180.0° |
| N01 | C02 | C03 | N04 | 0.5° | 0.0° |
| C02 | N01 | H012 | H011 | 120.0° | 180.0° |
| C03 | N04 | C05 | H051 | 177.4° | 180.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.1° |
| H171 | C17 | C16 | H161 | 1.9° | 0.1° |
