Y1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| C02 | C03 | sing | 1.53Å | 1.49Å | |
| C02 | O04 | sing | 1.43Å | 1.39Å | |
| C02 | C28 | sing | 1.51Å | 1.50Å | |
| O04 | C05 | sing | 1.36Å | 1.38Å | |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.50Å | |
| C08 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | O11 | sing | 1.43Å | 1.37Å | |
| O11 | C12 | sing | 1.36Å | 1.37Å | |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | N16 | sing | 1.37Å | 1.43Å | |
| C15 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| N16 | N17 | doub | 1.29Å | 1.22Å | |
| N17 | C18 | sing | 1.37Å | 1.43Å | |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | O29 | doub | 1.21Å | 1.26Å | |
| C28 | O30 | sing | 1.34Å | 1.26Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 107.8° | 109.5° |
| C01 | C02 | O04 | 109.7° | 109.4° |
| C01 | C02 | C28 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C03 | C02 | O04 | 110.2° | 109.5° |
| C03 | C02 | C28 | 108.1° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| O04 | C02 | C28 | 111.5° | 109.5° |
| C02 | O04 | C05 | 123.0° | 117.0° |
| C02 | C28 | O29 | 120.3° | 120.0° |
| C02 | C28 | O30 | 119.8° | 120.0° |
| O04 | C05 | C06 | 120.5° | 120.1° |
| O04 | C05 | C27 | 119.9° | 120.0° |
| C06 | C05 | C27 | 119.6° | 119.9° |
| C05 | C06 | C07 | 119.8° | 120.0° |
| C05 | C06 | H06 | 120.1° | 120.0° |
| C05 | C27 | C26 | 120.6° | 119.9° |
| C05 | C27 | H27 | 119.7° | 120.1° |
| C06 | C07 | C08 | 120.3° | 120.1° |
| C07 | C06 | H06 | 120.1° | 120.1° |
| C06 | C07 | H07 | 119.8° | 120.0° |
| C07 | C08 | C09 | 122.0° | 119.9° |
| C07 | C08 | C26 | 119.8° | 120.1° |
| C08 | C07 | H07 | 119.8° | 119.9° |
| C09 | C08 | C26 | 118.2° | 120.0° |
| C08 | C09 | C10 | 116.6° | 109.4° |
| C08 | C09 | H091 | 107.7° | 109.5° |
| C08 | C09 | H092 | 107.6° | 109.5° |
| C08 | C26 | C27 | 119.8° | 120.1° |
| C08 | C26 | H26 | 120.1° | 120.0° |
| C09 | C10 | O11 | 111.3° | 109.5° |
| C10 | C09 | H091 | 107.7° | 109.5° |
| C10 | C09 | H092 | 107.7° | 109.5° |
| C09 | C10 | H101 | 109.0° | 109.5° |
| C09 | C10 | H102 | 109.0° | 109.5° |
| C10 | O11 | C12 | 125.8° | 117.0° |
| O11 | C10 | H101 | 109.0° | 109.4° |
| O11 | C10 | H102 | 109.0° | 109.4° |
| O11 | C12 | C13 | 115.8° | 119.9° |
| O11 | C12 | C25 | 123.9° | 119.9° |
| C13 | C12 | C25 | 120.3° | 120.2° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C12 | C25 | C24 | 119.4° | 120.1° |
| C12 | C25 | H25 | 120.3° | 119.9° |
| C13 | C14 | C15 | 120.0° | 119.9° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C14 | C15 | N16 | 116.3° | 120.2° |
| C14 | C15 | C24 | 120.2° | 119.8° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| N16 | C15 | C24 | 123.5° | 120.0° |
| C15 | N16 | N17 | 125.8° | 120.0° |
| C15 | C24 | C25 | 119.6° | 119.9° |
| C15 | C24 | H24 | 120.2° | 120.1° |
| N16 | N17 | C18 | 115.3° | 120.0° |
| N17 | C18 | C19 | 121.4° | 120.1° |
| N17 | C18 | C23 | 118.4° | 120.2° |
| C19 | C18 | C23 | 120.2° | 119.7° |
| C18 | C19 | C20 | 119.6° | 119.8° |
| C18 | C19 | H19 | 120.2° | 120.1° |
| C18 | C23 | C22 | 120.3° | 119.8° |
| C18 | C23 | H23 | 119.9° | 120.1° |
| C19 | C20 | C21 | 120.1° | 120.1° |
| C20 | C19 | H19 | 120.2° | 120.1° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.3° | 120.4° |
| C21 | C20 | H20 | 120.0° | 119.9° |
| C20 | C21 | H21 | 119.9° | 119.8° |
| C21 | C22 | C23 | 119.6° | 120.1° |
| C22 | C21 | H21 | 119.8° | 119.8° |
| C21 | C22 | H22 | 120.2° | 119.9° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C23 | C22 | H22 | 120.2° | 119.9° |
| C24 | C25 | H25 | 120.3° | 120.0° |
| C25 | C24 | H24 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.7° | 120.0° |
| C27 | C26 | H26 | 120.1° | 119.9° |
| O29 | C28 | O30 | 119.8° | 120.1° |
| C28 | O30 | H30 | 109.5° | 117.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O04 | 119.7° | 119.9° |
| C01 | C02 | C03 | C28 | 118.2° | 120.0° |
| C01 | C02 | O04 | C28 | 121.4° | 120.0° |
| C01 | C02 | O04 | C05 | 38.9° | 178.4° |
| C01 | C02 | C28 | O29 | 172.3° | 120.0° |
| C01 | C02 | C28 | O30 | 8.4° | 60.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 52.7° |
| C01 | C02 | C03 | H032 | 60.0° | 172.7° |
| C01 | C02 | C03 | H033 | 60.0° | 67.4° |
| C03 | C02 | O04 | C28 | 120.1° | 120.0° |
| C03 | C02 | O04 | C05 | 157.5° | 58.5° |
| C03 | C02 | C28 | O29 | 55.2° | 120.0° |
| C03 | C02 | C28 | O30 | 125.6° | 60.0° |
| C03 | C02 | C01 | H011 | 180.0° | 57.6° |
| C03 | C02 | C01 | H012 | 60.0° | 177.6° |
| C03 | C02 | C01 | H013 | 60.0° | 62.4° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.1° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C02 | O04 | C05 | C06 | 118.1° | 174.2° |
| C02 | O04 | C05 | C27 | 62.5° | 5.9° |
| O04 | C02 | C28 | O29 | 66.1° | 0.0° |
| O04 | C02 | C28 | O30 | 113.1° | 180.0° |
| O04 | C02 | C01 | H011 | 59.9° | 177.5° |
| O04 | C02 | C01 | H012 | 180.0° | 62.5° |
| O04 | C02 | C01 | H013 | 60.0° | 57.5° |
| O04 | C02 | C03 | H031 | 60.3° | 67.2° |
| O04 | C02 | C03 | H032 | 59.7° | 52.8° |
| O04 | C02 | C03 | H033 | 179.7° | 172.7° |
| C28 | C02 | O04 | C05 | 82.5° | 61.6° |
| C02 | C28 | O29 | O30 | 179.3° | 179.9° |
| C28 | C02 | C01 | H011 | 62.7° | 62.5° |
| C28 | C02 | C01 | H012 | 57.3° | 57.5° |
| C28 | C02 | C01 | H013 | 177.3° | 177.6° |
| C28 | C02 | C03 | H031 | 61.8° | 172.7° |
| C28 | C02 | C03 | H032 | 178.2° | 67.2° |
| C28 | C02 | C03 | H033 | 58.2° | 52.7° |
| C02 | C28 | O30 | H30 | 179.3° | 180.0° |
| O04 | C05 | C06 | C27 | 179.4° | 179.8° |
| O04 | C05 | C06 | C07 | 180.0° | 180.0° |
| O04 | C05 | C27 | C26 | 179.6° | 179.8° |
| O04 | C05 | C06 | H06 | 0.0° | 0.0° |
| O04 | C05 | C27 | H27 | 0.4° | 0.1° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.2° | 0.0° |
| C06 | C05 | C27 | C26 | 0.9° | 0.4° |
| C06 | C05 | C27 | H27 | 179.1° | 179.7° |
| C05 | C06 | C07 | H07 | 179.8° | 180.0° |
| C27 | C05 | C06 | C07 | 0.6° | 0.2° |
| C05 | C27 | C26 | C08 | 0.9° | 0.4° |
| C05 | C27 | C26 | H27 | 180.0° | 179.8° |
| C27 | C05 | C06 | H06 | 179.5° | 179.8° |
| C05 | C27 | C26 | H26 | 179.1° | 179.7° |
| C06 | C07 | C08 | H07 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 179.3° | 179.9° |
| C06 | C07 | C08 | C26 | 0.1° | 0.0° |
| C07 | C08 | C09 | C26 | 179.2° | 180.0° |
| C07 | C08 | C09 | C10 | 60.0° | 90.0° |
| C07 | C08 | C26 | C27 | 0.5° | 0.2° |
| C08 | C07 | C06 | H06 | 179.8° | 180.0° |
| C07 | C08 | C09 | H091 | 61.1° | 150.0° |
| C07 | C08 | C09 | H092 | 179.0° | 30.0° |
| C07 | C08 | C26 | H26 | 179.5° | 180.0° |
| C08 | C09 | C10 | H091 | 121.0° | 120.0° |
| C08 | C09 | C10 | H092 | 121.0° | 120.0° |
| C08 | C09 | C10 | O11 | 64.0° | 180.0° |
| C09 | C08 | C26 | C27 | 179.7° | 179.8° |
| C09 | C08 | C07 | H07 | 0.7° | 0.0° |
| C08 | C09 | H091 | H092 | 116.7° | 120.0° |
| C09 | C08 | C26 | H26 | 0.3° | 0.0° |
| C08 | C09 | C10 | H101 | 175.7° | 60.0° |
| C08 | C09 | C10 | H102 | 56.3° | 60.0° |
| C26 | C08 | C09 | C10 | 119.2° | 90.0° |
| C08 | C26 | C27 | H26 | 180.0° | 179.8° |
| C08 | C26 | C27 | H27 | 179.1° | 179.7° |
| C26 | C08 | C07 | H07 | 179.9° | 180.0° |
| C26 | C08 | C09 | H091 | 119.7° | 30.0° |
| C26 | C08 | C09 | H092 | 1.8° | 150.0° |
| C09 | C10 | O11 | H101 | 120.3° | 120.0° |
| C09 | C10 | O11 | H102 | 120.3° | 120.0° |
| C09 | C10 | O11 | C12 | 170.3° | 180.0° |
| C10 | C09 | H091 | H092 | 116.8° | 120.0° |
| C09 | C10 | H101 | H102 | 119.2° | 120.1° |
| C10 | O11 | C12 | C13 | 171.8° | 180.0° |
| C10 | O11 | C12 | C25 | 8.3° | 0.3° |
| O11 | C10 | C09 | H091 | 57.1° | 60.0° |
| O11 | C10 | C09 | H092 | 175.0° | 60.0° |
| O11 | C10 | H101 | H102 | 119.2° | 119.9° |
| O11 | C12 | C13 | C25 | 179.9° | 179.8° |
| O11 | C12 | C13 | C14 | 179.9° | 180.0° |
| O11 | C12 | C25 | C24 | 179.9° | 179.7° |
| C12 | O11 | C10 | H101 | 69.4° | 60.0° |
| C12 | O11 | C10 | H102 | 50.0° | 60.0° |
| O11 | C12 | C13 | H13 | 0.1° | 0.0° |
| O11 | C12 | C25 | H25 | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C25 | C24 | 0.0° | 0.5° |
| C13 | C12 | C25 | H25 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C25 | C12 | C13 | C14 | 0.1° | 0.3° |
| C12 | C25 | C24 | C15 | 0.1° | 0.6° |
| C12 | C25 | C24 | H25 | 180.0° | 179.7° |
| C25 | C12 | C13 | H13 | 180.0° | 179.7° |
| C12 | C25 | C24 | H24 | 179.9° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | N16 | 179.9° | 180.0° |
| C13 | C14 | C15 | C24 | 0.1° | 0.0° |
| C14 | C15 | N16 | C24 | 179.8° | 180.0° |
| C14 | C15 | N16 | N17 | 179.6° | 180.0° |
| C14 | C15 | C24 | C25 | 0.1° | 0.3° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C14 | C15 | C24 | H24 | 179.9° | 180.0° |
| C15 | N16 | N17 | C18 | 171.6° | 180.0° |
| N16 | C15 | C24 | C25 | 179.9° | 179.7° |
| N16 | C15 | C14 | H14 | 0.1° | 0.0° |
| N16 | C15 | C24 | H24 | 0.1° | 0.0° |
| C24 | C15 | N16 | N17 | 0.6° | 0.0° |
| C15 | C24 | C25 | H24 | 180.0° | 179.7° |
| C15 | C24 | C25 | H25 | 179.9° | 179.7° |
| C24 | C15 | C14 | H14 | 179.9° | 179.9° |
| N16 | N17 | C18 | C19 | 179.7° | 180.0° |
| N16 | N17 | C18 | C23 | 0.8° | 0.3° |
| N17 | C18 | C19 | C23 | 179.5° | 179.8° |
| N17 | C18 | C19 | C20 | 179.7° | 180.0° |
| N17 | C18 | C23 | C22 | 179.7° | 179.7° |
| N17 | C18 | C19 | H19 | 0.3° | 0.0° |
| N17 | C18 | C23 | H23 | 0.3° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.1° |
| C19 | C18 | C23 | C22 | 0.2° | 0.5° |
| C19 | C18 | C23 | H23 | 179.8° | 179.7° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C23 | C18 | C19 | C20 | 0.2° | 0.2° |
| C18 | C23 | C22 | C21 | 0.1° | 0.5° |
| C18 | C23 | C22 | H23 | 180.0° | 179.8° |
| C23 | C18 | C19 | H19 | 179.8° | 179.8° |
| C18 | C23 | C22 | H22 | 179.9° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.2° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.8° |
| C21 | C22 | C23 | H23 | 179.9° | 179.7° |
| C22 | C21 | C20 | H20 | 180.0° | 180.0° |
| C23 | C22 | C21 | H21 | 180.0° | 179.8° |
| O29 | C28 | O30 | H30 | 0.0° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H06 | C06 | C07 | H07 | 0.2° | 0.1° |
| H27 | C27 | C26 | H26 | 0.9° | 0.1° |
| H091 | C09 | C10 | H101 | 63.2° | 180.0° |
| H091 | C09 | C10 | H102 | 177.4° | 60.0° |
| H092 | C09 | C10 | H101 | 54.7° | 60.0° |
| H092 | C09 | C10 | H102 | 64.7° | 180.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| H25 | C25 | C24 | H24 | 0.1° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.0° |
| H23 | C23 | C22 | H22 | 0.1° | 0.1° |
| H20 | C20 | C21 | H21 | 0.0° | 0.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.0° |
