YP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C03 | doub | 1.37Å | 1.45Å | Aromatic |
| C02 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C02 | C05 | sing | 1.39Å | 1.45Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C06 | N07 | sing | 1.36Å | 1.47Å | |
| N07 | C08 | doub | 1.28Å | 1.47Å | |
| C08 | C09 | sing | 1.51Å | 1.45Å | |
| C09 | C10 | sing | 1.51Å | 1.48Å | |
| C05 | N11 | sing | 1.39Å | 1.50Å | |
| C10 | N11 | sing | 1.33Å | 1.47Å | |
| C08 | C12 | sing | 1.47Å | 1.53Å | |
| C10 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.51Å | |
| C19 | O20 | sing | 1.35Å | 1.37Å | Aromatic |
| O20 | C21 | sing | 1.34Å | 1.37Å | Aromatic |
| C21 | N22 | doub | 1.30Å | 1.35Å | Aromatic |
| C19 | N23 | doub | 1.31Å | 1.35Å | Aromatic |
| N22 | N23 | sing | 1.29Å | 1.39Å | Aromatic |
| C21 | C24 | sing | 1.51Å | 1.53Å | |
| C04 | C25 | sing | 1.48Å | 1.44Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | F31 | sing | 1.35Å | 1.33Å | |
| C01 | H32 | sing | 1.08Å | 1.08Å | |
| C02 | H33 | sing | 1.08Å | 1.08Å | |
| C15 | H39 | sing | 1.08Å | 1.08Å | |
| C17 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H41 | sing | 1.08Å | 1.08Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.08Å | 1.08Å | |
| C28 | H46 | sing | 1.08Å | 1.08Å | |
| C03 | H34 | sing | 1.08Å | 1.08Å | |
| C09 | H35 | sing | 1.09Å | 1.10Å | |
| C09 | H36 | sing | 1.09Å | 1.10Å | |
| N11 | H37 | sing | 0.97Å | 1.00Å | |
| C14 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H47 | sing | 1.08Å | 1.08Å | |
| C30 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C03 | C04 | 121.1° | 119.9° |
| C03 | C01 | C06 | 120.5° | 120.8° |
| C03 | C01 | H32 | 119.7° | 119.6° |
| C01 | C03 | H34 | 119.5° | 120.0° |
| C02 | C04 | C03 | 118.4° | 119.8° |
| C04 | C02 | C05 | 121.3° | 120.7° |
| C02 | C04 | C25 | 120.9° | 120.1° |
| C04 | C02 | H33 | 119.4° | 119.6° |
| C03 | C04 | C25 | 120.5° | 120.1° |
| C04 | C03 | H34 | 119.5° | 120.1° |
| C02 | C05 | C06 | 120.1° | 119.4° |
| C02 | C05 | N11 | 121.7° | 116.9° |
| C05 | C02 | H33 | 119.4° | 119.7° |
| C01 | C06 | C05 | 118.6° | 119.4° |
| C01 | C06 | N07 | 125.3° | 116.8° |
| C06 | C01 | H32 | 119.7° | 119.6° |
| C05 | C06 | N07 | 116.1° | 123.8° |
| C06 | C05 | N11 | 118.2° | 123.7° |
| C06 | N07 | C08 | 132.4° | 126.4° |
| N07 | C08 | C09 | 118.7° | 121.7° |
| N07 | C08 | C12 | 118.9° | 119.2° |
| C08 | C09 | C10 | 100.9° | 108.1° |
| C09 | C08 | C12 | 122.2° | 119.1° |
| C08 | C09 | H35 | 111.6° | 109.7° |
| C08 | C09 | H36 | 111.5° | 109.7° |
| C09 | C10 | N11 | 116.7° | 120.7° |
| C09 | C10 | O13 | 122.0° | 119.6° |
| C10 | C09 | H35 | 111.6° | 109.8° |
| C10 | C09 | H36 | 111.6° | 109.7° |
| C05 | N11 | C10 | 132.3° | 125.1° |
| C05 | N11 | H37 | 113.8° | 117.5° |
| N11 | C10 | O13 | 121.3° | 119.7° |
| C10 | N11 | H37 | 113.9° | 117.4° |
| C08 | C12 | C14 | 124.4° | 120.1° |
| C08 | C12 | C18 | 116.5° | 120.1° |
| C12 | C14 | C17 | 119.7° | 120.1° |
| C14 | C12 | C18 | 118.9° | 119.8° |
| C12 | C14 | H38 | 120.2° | 119.9° |
| C16 | C15 | C17 | 119.1° | 120.2° |
| C15 | C16 | C18 | 120.0° | 119.9° |
| C15 | C16 | C19 | 125.7° | 120.0° |
| C16 | C15 | H39 | 120.5° | 119.9° |
| C14 | C17 | C15 | 120.8° | 120.3° |
| C14 | C17 | H40 | 119.6° | 119.9° |
| C17 | C14 | H38 | 120.1° | 119.9° |
| C17 | C15 | H39 | 120.5° | 119.9° |
| C15 | C17 | H40 | 119.6° | 119.8° |
| C12 | C18 | C16 | 121.5° | 119.7° |
| C12 | C18 | H41 | 119.3° | 120.2° |
| C18 | C16 | C19 | 114.3° | 120.1° |
| C16 | C18 | H41 | 119.2° | 120.1° |
| C16 | C19 | O20 | 123.6° | 126.4° |
| C16 | C19 | N23 | 128.7° | 126.3° |
| C19 | O20 | C21 | 109.3° | 106.3° |
| O20 | C19 | N23 | 107.6° | 107.3° |
| O20 | C21 | N22 | 106.5° | 107.7° |
| O20 | C21 | C24 | 125.9° | 126.2° |
| C21 | N22 | N23 | 109.2° | 109.5° |
| N22 | C21 | C24 | 127.6° | 126.2° |
| C19 | N23 | N22 | 107.5° | 109.2° |
| C21 | C24 | H42 | 109.5° | 109.5° |
| C21 | C24 | H43 | 109.4° | 109.4° |
| C21 | C24 | H44 | 109.5° | 109.4° |
| C04 | C25 | C26 | 122.6° | 120.1° |
| C04 | C25 | C30 | 118.8° | 120.1° |
| C25 | C26 | C29 | 121.3° | 119.8° |
| C26 | C25 | C30 | 118.5° | 119.7° |
| C25 | C26 | F31 | 120.2° | 120.1° |
| C28 | C27 | C29 | 119.3° | 120.3° |
| C27 | C28 | C30 | 120.6° | 120.2° |
| C28 | C27 | H45 | 120.4° | 119.9° |
| C27 | C28 | H46 | 119.7° | 119.9° |
| C26 | C29 | C27 | 119.8° | 120.1° |
| C29 | C26 | F31 | 118.4° | 120.1° |
| C26 | C29 | H47 | 120.1° | 120.0° |
| C29 | C27 | H45 | 120.3° | 119.8° |
| C27 | C29 | H47 | 120.1° | 119.9° |
| C25 | C30 | C28 | 120.4° | 119.9° |
| C25 | C30 | H48 | 119.8° | 120.1° |
| C30 | C28 | H46 | 119.7° | 119.9° |
| C28 | C30 | H48 | 119.8° | 120.0° |
| H42 | C24 | H43 | 109.4° | 109.5° |
| H42 | C24 | H44 | 109.5° | 109.5° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| H35 | C09 | H36 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C03 | C04 | C02 | 3.4° | 0.1° |
| C01 | C03 | C04 | H34 | 180.0° | 180.0° |
| C03 | C01 | C06 | H32 | 180.0° | 179.7° |
| C03 | C01 | C06 | C05 | 1.7° | 0.3° |
| C03 | C01 | C06 | N07 | 178.9° | 179.5° |
| C01 | C03 | C04 | C25 | 178.1° | 179.8° |
| C02 | C04 | C03 | C25 | 174.7° | 179.9° |
| C04 | C02 | C05 | H33 | 180.0° | 179.9° |
| C04 | C02 | C05 | C06 | 2.0° | 0.3° |
| C04 | C02 | C05 | N11 | 176.7° | 179.6° |
| C02 | C04 | C25 | C26 | 135.5° | 130.0° |
| C02 | C04 | C25 | C30 | 47.9° | 50.3° |
| C02 | C04 | C03 | H34 | 176.6° | 179.9° |
| C03 | C04 | C02 | C05 | 3.0° | 0.1° |
| C04 | C03 | C01 | C06 | 2.8° | 0.0° |
| C03 | C04 | C25 | C26 | 50.0° | 49.9° |
| C03 | C04 | C25 | C30 | 126.7° | 129.8° |
| C04 | C03 | C01 | H32 | 177.2° | 179.8° |
| C03 | C04 | C02 | H33 | 177.0° | 180.0° |
| C02 | C05 | C06 | C01 | 1.3° | 0.4° |
| C02 | C05 | C06 | N11 | 178.7° | 179.9° |
| C02 | C05 | C06 | N07 | 178.8° | 179.3° |
| C02 | C05 | N11 | C10 | 139.7° | 139.3° |
| C05 | C02 | C04 | C25 | 177.7° | 180.0° |
| C02 | C05 | N11 | H37 | 40.3° | 40.8° |
| C01 | C06 | C05 | N07 | 177.5° | 179.7° |
| C01 | C06 | N07 | C08 | 140.0° | 138.4° |
| C01 | C06 | C05 | N11 | 177.4° | 179.5° |
| C06 | C01 | C03 | H34 | 177.2° | 180.0° |
| C05 | C06 | N07 | C08 | 42.7° | 41.9° |
| C06 | C05 | N11 | C10 | 41.7° | 40.6° |
| C05 | C06 | C01 | H32 | 178.3° | 180.0° |
| C06 | C05 | C02 | H33 | 178.0° | 179.7° |
| C06 | C05 | N11 | H37 | 138.3° | 139.3° |
| C06 | N07 | C08 | C09 | 0.5° | 1.7° |
| N07 | C06 | C05 | N11 | 0.1° | 0.8° |
| C06 | N07 | C08 | C12 | 176.1° | 178.3° |
| N07 | C06 | C01 | H32 | 1.1° | 0.2° |
| N07 | C08 | C09 | C12 | 175.5° | 180.0° |
| N07 | C08 | C09 | C10 | 71.8° | 62.8° |
| N07 | C08 | C12 | C14 | 167.6° | 7.1° |
| N07 | C08 | C12 | C18 | 8.0° | 172.8° |
| N07 | C08 | C09 | H35 | 46.8° | 177.5° |
| N07 | C08 | C09 | H36 | 169.6° | 56.8° |
| C08 | C09 | C10 | H35 | 118.6° | 119.7° |
| C08 | C09 | C10 | H36 | 118.6° | 119.6° |
| C08 | C09 | C10 | N11 | 71.2° | 61.0° |
| C08 | C09 | C10 | O13 | 108.3° | 119.1° |
| C09 | C08 | C12 | C14 | 7.9° | 172.9° |
| C09 | C08 | C12 | C18 | 176.5° | 7.2° |
| C08 | C09 | H35 | H36 | 124.0° | 120.6° |
| C09 | C10 | N11 | C05 | 1.4° | 2.5° |
| C09 | C10 | N11 | O13 | 179.5° | 179.9° |
| C10 | C09 | C08 | C12 | 103.7° | 117.2° |
| C10 | C09 | H35 | H36 | 124.0° | 120.7° |
| C09 | C10 | N11 | H37 | 178.6° | 177.4° |
| C05 | N11 | C10 | H37 | 180.0° | 179.9° |
| C05 | N11 | C10 | O13 | 178.2° | 177.4° |
| N11 | C05 | C02 | H33 | 3.3° | 0.3° |
| N11 | C10 | C09 | H35 | 47.4° | 179.3° |
| N11 | C10 | C09 | H36 | 170.2° | 58.7° |
| C08 | C12 | C14 | C18 | 175.5° | 179.9° |
| C08 | C12 | C14 | C17 | 177.7° | 180.0° |
| C08 | C12 | C18 | C16 | 178.1° | 180.0° |
| C08 | C12 | C18 | H41 | 1.9° | 0.2° |
| C12 | C08 | C09 | H35 | 137.7° | 2.6° |
| C12 | C08 | C09 | H36 | 14.8° | 123.2° |
| C08 | C12 | C14 | H38 | 2.3° | 0.1° |
| O13 | C10 | C09 | H35 | 133.1° | 0.6° |
| O13 | C10 | C09 | H36 | 10.3° | 121.3° |
| O13 | C10 | N11 | H37 | 1.8° | 2.7° |
| C12 | C14 | C17 | H38 | 180.0° | 180.0° |
| C12 | C14 | C17 | C15 | 1.1° | 0.0° |
| C14 | C12 | C18 | C16 | 2.2° | 0.1° |
| C12 | C14 | C17 | H40 | 178.9° | 180.0° |
| C14 | C12 | C18 | H41 | 177.8° | 180.0° |
| C16 | C15 | C17 | C14 | 0.0° | 0.0° |
| C16 | C15 | C17 | H39 | 180.0° | 179.7° |
| C15 | C16 | C18 | C12 | 1.0° | 0.0° |
| C15 | C16 | C18 | C19 | 179.7° | 179.9° |
| C15 | C16 | C19 | O20 | 126.0° | 0.1° |
| C15 | C16 | C19 | N23 | 56.9° | 179.7° |
| C16 | C15 | C17 | H40 | 180.0° | 180.0° |
| C15 | C16 | C18 | H41 | 179.0° | 179.9° |
| C14 | C17 | C15 | H40 | 180.0° | 180.0° |
| C17 | C14 | C12 | C18 | 2.2° | 0.1° |
| C14 | C17 | C15 | H39 | 180.0° | 179.7° |
| C17 | C15 | C16 | C18 | 0.1° | 0.0° |
| C17 | C15 | C16 | C19 | 179.5° | 180.0° |
| C15 | C17 | C14 | H38 | 178.9° | 180.0° |
| C12 | C18 | C16 | H41 | 180.0° | 179.9° |
| C12 | C18 | C16 | C19 | 179.3° | 179.9° |
| C18 | C12 | C14 | H38 | 177.8° | 180.0° |
| C18 | C16 | C19 | O20 | 53.6° | 180.0° |
| C18 | C16 | C19 | N23 | 123.4° | 0.4° |
| C18 | C16 | C15 | H39 | 179.9° | 179.7° |
| C16 | C19 | O20 | N23 | 177.6° | 179.7° |
| C16 | C19 | O20 | C21 | 178.2° | 179.9° |
| C16 | C19 | N23 | N22 | 177.9° | 179.9° |
| C19 | C16 | C15 | H39 | 0.4° | 0.4° |
| C19 | C16 | C18 | H41 | 0.7° | 0.0° |
| C19 | O20 | C21 | N22 | 0.5° | 0.2° |
| O20 | C19 | N23 | N22 | 0.5° | 0.3° |
| C19 | O20 | C21 | C24 | 179.2° | 179.8° |
| O20 | C21 | N22 | C24 | 179.7° | 180.0° |
| C21 | O20 | C19 | N23 | 0.6° | 0.3° |
| O20 | C21 | N22 | N23 | 0.1° | 0.0° |
| O20 | C21 | C24 | H42 | 0.0° | 90.0° |
| O20 | C21 | C24 | H43 | 120.0° | 30.0° |
| O20 | C21 | C24 | H44 | 120.0° | 150.0° |
| C21 | N22 | N23 | C19 | 0.3° | 0.2° |
| N22 | C21 | C24 | H42 | 179.6° | 90.0° |
| N22 | C21 | C24 | H43 | 59.6° | 150.0° |
| N22 | C21 | C24 | H44 | 60.4° | 30.1° |
| N23 | N22 | C21 | C24 | 179.6° | 180.0° |
| C21 | C24 | H42 | H43 | 120.0° | 119.9° |
| C21 | C24 | H42 | H44 | 120.0° | 120.0° |
| C21 | C24 | H43 | H44 | 120.0° | 119.9° |
| C04 | C25 | C26 | C30 | 176.7° | 179.7° |
| C04 | C25 | C26 | C29 | 178.3° | 180.0° |
| C04 | C25 | C30 | C28 | 177.1° | 180.0° |
| C04 | C25 | C26 | F31 | 4.0° | 0.0° |
| C25 | C04 | C02 | H33 | 2.3° | 0.1° |
| C25 | C04 | C03 | H34 | 1.9° | 0.2° |
| C04 | C25 | C30 | H48 | 2.9° | 0.1° |
| C25 | C26 | C29 | F31 | 177.7° | 180.0° |
| C25 | C26 | C29 | C27 | 1.6° | 0.0° |
| C26 | C25 | C30 | C28 | 0.3° | 0.3° |
| C25 | C26 | C29 | H47 | 178.4° | 180.0° |
| C26 | C25 | C30 | H48 | 179.7° | 179.7° |
| C28 | C27 | C29 | C26 | 0.1° | 0.3° |
| C28 | C27 | C29 | H45 | 180.0° | 179.8° |
| C27 | C28 | C30 | C25 | 1.1° | 0.0° |
| C27 | C28 | C30 | H46 | 180.0° | 179.8° |
| C28 | C27 | C29 | H47 | 179.9° | 179.8° |
| C27 | C28 | C30 | H48 | 178.9° | 179.9° |
| C26 | C29 | C27 | H47 | 180.0° | 180.0° |
| C29 | C26 | C25 | C30 | 1.7° | 0.3° |
| C26 | C29 | C27 | H45 | 179.9° | 180.0° |
| C29 | C27 | C28 | C30 | 1.2° | 0.2° |
| C27 | C29 | C26 | F31 | 179.3° | 180.0° |
| C29 | C27 | C28 | H46 | 178.8° | 180.0° |
| C25 | C30 | C28 | H48 | 180.0° | 180.0° |
| C30 | C25 | C26 | F31 | 179.3° | 179.8° |
| C25 | C30 | C28 | H46 | 178.9° | 179.8° |
| C30 | C28 | C27 | H45 | 178.8° | 180.0° |
| F31 | C26 | C29 | H47 | 0.7° | 0.0° |
| H32 | C01 | C03 | H34 | 2.8° | 0.3° |
| H39 | C15 | C17 | H40 | 0.0° | 0.3° |
| H40 | C17 | C14 | H38 | 1.1° | 0.0° |
| H42 | C24 | H43 | H44 | 120.0° | 120.1° |
| H45 | C27 | C28 | H46 | 1.2° | 0.2° |
| H45 | C27 | C29 | H47 | 0.1° | 0.0° |
| H46 | C28 | C30 | H48 | 1.1° | 0.3° |






