Y67
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
C07 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
C08 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
O32 | C31 | doub | 1.22Å | 1.19Å | |
N30 | C31 | sing | 1.35Å | 1.46Å | |
N30 | C29 | sing | 1.36Å | 1.46Å | |
C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
C31 | C26 | sing | 1.42Å | 1.50Å | |
C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
C29 | C28 | doub | 1.35Å | 1.51Å | |
C05 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
C05 | N04 | sing | 1.37Å | 1.37Å | Aromatic |
C10 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
C24 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
C26 | C25 | sing | 1.48Å | 1.50Å | |
C26 | C27 | doub | 1.39Å | 1.45Å | |
C23 | C22 | sing | 1.39Å | 1.36Å | Aromatic |
C25 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
N04 | C03 | sing | 1.46Å | 1.47Å | |
N04 | N12 | sing | 1.40Å | 1.32Å | Aromatic |
C28 | C27 | sing | 1.40Å | 1.42Å | |
N11 | N12 | doub | 1.29Å | 1.33Å | Aromatic |
C03 | C02 | sing | 1.51Å | 1.54Å | |
C22 | N13 | sing | 1.40Å | 1.47Å | |
C22 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
C02 | N13 | sing | 1.35Å | 1.41Å | |
C02 | O01 | doub | 1.21Å | 1.20Å | |
N13 | C14 | sing | 1.46Å | 1.49Å | |
C14 | C15 | sing | 1.51Å | 1.51Å | |
C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C21 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C19 | CL20 | sing | 1.74Å | 1.80Å | |
C03 | H1 | sing | 1.09Å | 1.10Å | |
C03 | H2 | sing | 1.09Å | 1.10Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
C14 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C16 | H9 | sing | 1.08Å | 1.08Å | |
C17 | H10 | sing | 1.08Å | 1.08Å | |
C18 | H11 | sing | 1.08Å | 1.08Å | |
C21 | H12 | sing | 1.08Å | 1.08Å | |
C23 | H13 | sing | 1.08Å | 1.08Å | |
C24 | H14 | sing | 1.08Å | 1.08Å | |
C27 | H16 | sing | 1.08Å | 1.08Å | |
C28 | H17 | sing | 1.08Å | 1.08Å | |
C29 | H18 | sing | 1.08Å | 1.08Å | |
C33 | H19 | sing | 1.08Å | 1.08Å | |
C34 | H20 | sing | 1.08Å | 1.08Å | |
N30 | H15 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C07 | C06 | 120.3° | 120.4° |
C07 | C08 | C09 | 121.2° | 120.8° |
C08 | C07 | H4 | 119.8° | 119.8° |
C07 | C08 | H5 | 119.4° | 119.6° |
C07 | C06 | C05 | 119.3° | 119.7° |
C07 | C06 | H3 | 120.3° | 120.1° |
C06 | C07 | H4 | 119.9° | 119.7° |
C08 | C09 | C10 | 117.1° | 119.9° |
C09 | C08 | H5 | 119.4° | 119.6° |
C08 | C09 | H6 | 121.4° | 120.0° |
O32 | C31 | N30 | 120.2° | 120.0° |
O32 | C31 | C26 | 123.6° | 120.1° |
C31 | N30 | C29 | 118.8° | 121.0° |
N30 | C31 | C26 | 116.2° | 119.8° |
C31 | N30 | H15 | 120.6° | 119.5° |
N30 | C29 | C28 | 122.9° | 121.1° |
N30 | C29 | H18 | 118.5° | 119.4° |
C29 | N30 | H15 | 120.6° | 119.5° |
C06 | C05 | C10 | 119.0° | 119.9° |
C06 | C05 | N04 | 134.4° | 134.0° |
C05 | C06 | H3 | 120.3° | 120.2° |
C31 | C26 | C25 | 119.4° | 120.5° |
C31 | C26 | C27 | 125.0° | 119.0° |
C09 | C10 | C05 | 122.6° | 119.3° |
C09 | C10 | N11 | 130.4° | 133.1° |
C10 | C09 | H6 | 121.4° | 120.0° |
C29 | C28 | C27 | 118.2° | 120.1° |
C29 | C28 | H17 | 120.9° | 120.0° |
C28 | C29 | H18 | 118.5° | 119.5° |
C10 | C05 | N04 | 106.3° | 106.1° |
C05 | C10 | N11 | 106.8° | 107.6° |
C05 | N04 | C03 | 127.0° | 126.7° |
C05 | N04 | N12 | 108.7° | 106.5° |
C10 | N11 | N12 | 109.8° | 110.4° |
C23 | C24 | C25 | 117.4° | 120.0° |
C24 | C23 | C22 | 120.6° | 120.1° |
C24 | C23 | H13 | 119.7° | 120.0° |
C23 | C24 | H14 | 121.3° | 120.0° |
C24 | C25 | C26 | 120.7° | 120.1° |
C24 | C25 | C33 | 122.3° | 119.9° |
C25 | C24 | H14 | 121.3° | 120.0° |
C25 | C26 | C27 | 115.3° | 120.5° |
C26 | C25 | C33 | 116.7° | 120.1° |
C26 | C27 | C28 | 118.4° | 119.0° |
C26 | C27 | H16 | 120.8° | 120.5° |
C23 | C22 | N13 | 116.0° | 120.0° |
C23 | C22 | C34 | 121.8° | 120.1° |
C22 | C23 | H13 | 119.7° | 120.0° |
C25 | C33 | C34 | 117.3° | 119.9° |
C25 | C33 | H19 | 121.3° | 120.0° |
C03 | N04 | N12 | 124.3° | 126.7° |
N04 | C03 | C02 | 104.8° | 109.5° |
N04 | C03 | H1 | 110.6° | 109.5° |
N04 | C03 | H2 | 110.6° | 109.5° |
N04 | N12 | N11 | 108.3° | 109.4° |
C28 | C27 | H16 | 120.8° | 120.5° |
C27 | C28 | H17 | 120.9° | 119.9° |
C03 | C02 | N13 | 116.9° | 120.0° |
C03 | C02 | O01 | 127.2° | 120.0° |
C02 | C03 | H1 | 110.7° | 109.4° |
C02 | C03 | H2 | 110.6° | 109.5° |
N13 | C22 | C34 | 122.2° | 119.9° |
C22 | N13 | C02 | 122.3° | 120.0° |
C22 | N13 | C14 | 118.6° | 120.0° |
C22 | C34 | C33 | 120.4° | 120.0° |
C22 | C34 | H20 | 119.8° | 119.9° |
C34 | C33 | H19 | 121.4° | 120.0° |
C33 | C34 | H20 | 119.8° | 120.0° |
N13 | C02 | O01 | 115.9° | 120.0° |
C02 | N13 | C14 | 119.1° | 120.0° |
N13 | C14 | C15 | 110.7° | 109.5° |
N13 | C14 | H7 | 109.2° | 109.5° |
N13 | C14 | H8 | 109.2° | 109.5° |
C14 | C15 | C16 | 116.2° | 120.0° |
C14 | C15 | C21 | 122.4° | 120.0° |
C15 | C14 | H7 | 109.2° | 109.5° |
C15 | C14 | H8 | 109.1° | 109.4° |
C16 | C15 | C21 | 120.9° | 120.0° |
C15 | C16 | C17 | 119.9° | 120.0° |
C15 | C16 | H9 | 120.0° | 120.0° |
C15 | C21 | C19 | 119.3° | 119.9° |
C15 | C21 | H12 | 120.4° | 120.0° |
C16 | C17 | C18 | 119.2° | 120.0° |
C17 | C16 | H9 | 120.0° | 120.0° |
C16 | C17 | H10 | 120.4° | 120.0° |
C21 | C19 | C18 | 119.8° | 120.0° |
C21 | C19 | CL20 | 118.2° | 120.0° |
C19 | C21 | H12 | 120.4° | 120.0° |
C17 | C18 | C19 | 120.4° | 120.0° |
C18 | C17 | H10 | 120.4° | 120.0° |
C17 | C18 | H11 | 119.8° | 120.0° |
C18 | C19 | CL20 | 121.9° | 120.0° |
C19 | C18 | H11 | 119.8° | 120.0° |
H1 | C03 | H2 | 109.5° | 109.5° |
H7 | C14 | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C07 | C06 | H4 | 180.0° | 180.0° |
C07 | C08 | C09 | H5 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 4.9° | 0.0° |
C07 | C08 | C09 | C10 | 0.8° | 0.0° |
C08 | C07 | C06 | H3 | 175.1° | 179.9° |
C07 | C08 | C09 | H6 | 179.2° | 180.0° |
C06 | C07 | C08 | C09 | 1.5° | 0.0° |
C07 | C06 | C05 | H3 | 180.0° | 179.9° |
C07 | C06 | C05 | C10 | 7.6° | 0.1° |
C07 | C06 | C05 | N04 | 179.2° | 179.7° |
C06 | C07 | C08 | H5 | 178.5° | 180.0° |
C08 | C09 | C10 | H6 | 180.0° | 180.0° |
C08 | C09 | C10 | C05 | 3.7° | 0.1° |
C08 | C09 | C10 | N11 | 178.1° | 179.7° |
C09 | C08 | C07 | H4 | 178.5° | 180.0° |
O32 | C31 | N30 | C26 | 179.4° | 179.7° |
O32 | C31 | N30 | C29 | 178.8° | 179.7° |
O32 | C31 | C26 | C25 | 4.0° | 0.0° |
O32 | C31 | C26 | C27 | 176.8° | 179.7° |
O32 | C31 | N30 | H15 | 1.2° | 0.2° |
C31 | N30 | C29 | H15 | 180.0° | 179.5° |
C31 | N30 | C29 | C28 | 2.5° | 0.2° |
N30 | C31 | C26 | C25 | 176.7° | 179.7° |
N30 | C31 | C26 | C27 | 3.8° | 0.6° |
C31 | N30 | C29 | H18 | 177.5° | 179.7° |
C29 | N30 | C31 | C26 | 1.8° | 0.6° |
N30 | C29 | C28 | H18 | 180.0° | 179.9° |
N30 | C29 | C28 | C27 | 4.9° | 0.1° |
N30 | C29 | C28 | H17 | 175.1° | 180.0° |
C06 | C05 | C10 | C09 | 7.1° | 0.1° |
C06 | C05 | C10 | N04 | 173.7° | 179.8° |
C06 | C05 | C10 | N11 | 177.3° | 179.8° |
C06 | C05 | N04 | C03 | 3.4° | 0.3° |
C06 | C05 | N04 | N12 | 175.3° | 179.7° |
C05 | C06 | C07 | H4 | 175.1° | 180.0° |
C31 | C26 | C25 | C24 | 44.5° | 65.3° |
C31 | C26 | C25 | C27 | 173.5° | 179.7° |
C31 | C26 | C25 | C33 | 129.3° | 114.8° |
C31 | C26 | C27 | C28 | 6.3° | 0.3° |
C31 | C26 | C27 | H16 | 173.6° | 179.8° |
C26 | C31 | N30 | H15 | 178.2° | 179.9° |
C09 | C10 | C05 | N11 | 175.5° | 179.7° |
C09 | C10 | C05 | N04 | 179.1° | 179.7° |
C09 | C10 | N11 | N12 | 178.0° | 179.6° |
C10 | C09 | C08 | H5 | 179.2° | 180.0° |
C29 | C28 | C27 | C26 | 6.5° | 0.0° |
C29 | C28 | C27 | H17 | 180.0° | 179.9° |
C29 | C28 | C27 | H16 | 173.5° | 179.9° |
C28 | C29 | N30 | H15 | 177.5° | 179.7° |
C10 | C05 | N04 | C03 | 175.8° | 180.0° |
C10 | C05 | N04 | N12 | 3.0° | 0.1° |
C05 | C10 | N11 | N12 | 3.0° | 0.0° |
C10 | C05 | C06 | H3 | 172.4° | 180.0° |
C05 | C10 | C09 | H6 | 176.3° | 179.9° |
N04 | C05 | C10 | N11 | 3.6° | 0.0° |
C05 | N04 | C03 | N12 | 178.6° | 180.0° |
C05 | N04 | N12 | N11 | 1.2° | 0.1° |
C05 | N04 | C03 | C02 | 83.1° | 90.0° |
C05 | N04 | C03 | H1 | 36.2° | 30.0° |
C05 | N04 | C03 | H2 | 157.7° | 150.0° |
N04 | C05 | C06 | H3 | 0.9° | 0.2° |
C10 | N11 | N12 | N04 | 1.1° | 0.0° |
N11 | C10 | C09 | H6 | 1.9° | 0.3° |
C23 | C24 | C25 | H14 | 180.0° | 179.9° |
C23 | C24 | C25 | C26 | 178.1° | 180.0° |
C24 | C23 | C22 | H13 | 180.0° | 180.0° |
C23 | C24 | C25 | C33 | 4.7° | 0.1° |
C24 | C23 | C22 | N13 | 179.0° | 180.0° |
C24 | C23 | C22 | C34 | 0.8° | 0.3° |
C24 | C25 | C26 | C33 | 173.8° | 179.9° |
C24 | C25 | C26 | C27 | 142.0° | 115.0° |
C25 | C24 | C23 | C22 | 2.5° | 0.0° |
C24 | C25 | C33 | C34 | 4.9° | 0.2° |
C25 | C24 | C23 | H13 | 177.5° | 180.0° |
C24 | C25 | C33 | H19 | 175.1° | 180.0° |
C25 | C26 | C27 | C28 | 179.4° | 180.0° |
C26 | C25 | C33 | C34 | 178.6° | 179.7° |
C26 | C25 | C24 | H14 | 1.9° | 0.1° |
C25 | C26 | C27 | H16 | 0.6° | 0.1° |
C26 | C25 | C33 | H19 | 1.4° | 0.1° |
C27 | C26 | C25 | C33 | 44.2° | 64.9° |
C26 | C27 | C28 | H16 | 180.0° | 179.9° |
C26 | C27 | C28 | H17 | 173.6° | 179.9° |
C23 | C22 | N13 | C34 | 179.8° | 179.7° |
C23 | C22 | C34 | C33 | 1.0° | 0.6° |
C23 | C22 | N13 | C02 | 110.4° | 174.5° |
C23 | C22 | N13 | C14 | 67.5° | 5.4° |
C22 | C23 | C24 | H14 | 177.5° | 180.0° |
C23 | C22 | C34 | H20 | 179.0° | 179.7° |
C25 | C33 | C34 | C22 | 3.0° | 0.5° |
C25 | C33 | C34 | H19 | 180.0° | 179.8° |
C33 | C25 | C24 | H14 | 175.3° | 180.0° |
C25 | C33 | C34 | H20 | 177.0° | 179.8° |
C03 | N04 | N12 | N11 | 177.6° | 180.0° |
N04 | C03 | C02 | H1 | 119.2° | 120.0° |
N04 | C03 | C02 | H2 | 119.2° | 120.1° |
N04 | C03 | C02 | N13 | 166.5° | 179.0° |
N04 | C03 | C02 | O01 | 14.7° | 0.7° |
N04 | C03 | H1 | H2 | 122.2° | 120.1° |
N12 | N04 | C03 | C02 | 95.5° | 90.0° |
N12 | N04 | C03 | H1 | 145.2° | 150.1° |
N12 | N04 | C03 | H2 | 23.7° | 30.0° |
C27 | C28 | C29 | H18 | 175.1° | 180.0° |
C03 | C02 | N13 | C22 | 1.3° | 174.5° |
C03 | C02 | N13 | O01 | 179.0° | 179.7° |
C03 | C02 | N13 | C14 | 179.3° | 5.5° |
C02 | C03 | H1 | H2 | 122.2° | 119.9° |
N13 | C22 | C34 | C33 | 178.8° | 179.7° |
C22 | N13 | C02 | C14 | 178.0° | 179.9° |
C22 | N13 | C02 | O01 | 179.7° | 5.9° |
C22 | N13 | C14 | C15 | 73.3° | 93.7° |
C22 | N13 | C14 | H7 | 166.5° | 146.2° |
C22 | N13 | C14 | H8 | 46.8° | 26.2° |
N13 | C22 | C23 | H13 | 0.9° | 0.1° |
N13 | C22 | C34 | H20 | 1.2° | 0.0° |
C22 | C34 | C33 | H20 | 180.0° | 179.7° |
C34 | C22 | N13 | C02 | 69.4° | 5.2° |
C34 | C22 | N13 | C14 | 112.7° | 174.9° |
C34 | C22 | C23 | H13 | 179.2° | 179.7° |
C22 | C34 | C33 | H19 | 177.0° | 179.7° |
C02 | N13 | C14 | C15 | 108.6° | 86.2° |
N13 | C02 | C03 | H1 | 47.3° | 61.0° |
N13 | C02 | C03 | H2 | 74.3° | 59.0° |
C02 | N13 | C14 | H7 | 11.6° | 33.8° |
C02 | N13 | C14 | H8 | 131.2° | 153.8° |
O01 | C02 | N13 | C14 | 1.7° | 174.2° |
O01 | C02 | C03 | H1 | 133.9° | 119.3° |
O01 | C02 | C03 | H2 | 104.6° | 120.7° |
N13 | C14 | C15 | H7 | 120.2° | 120.0° |
N13 | C14 | C15 | H8 | 120.2° | 120.0° |
N13 | C14 | C15 | C16 | 140.4° | 83.2° |
N13 | C14 | C15 | C21 | 31.1° | 97.0° |
N13 | C14 | H7 | H8 | 119.4° | 120.0° |
C14 | C15 | C16 | C21 | 171.6° | 179.8° |
C14 | C15 | C16 | C17 | 178.6° | 180.0° |
C14 | C15 | C21 | C19 | 179.7° | 179.7° |
C15 | C14 | H7 | H8 | 119.4° | 119.9° |
C14 | C15 | C16 | H9 | 1.4° | 0.0° |
C14 | C15 | C21 | H12 | 0.3° | 0.0° |
C15 | C16 | C17 | H9 | 180.0° | 179.9° |
C16 | C15 | C21 | C19 | 9.3° | 0.5° |
C15 | C16 | C17 | C18 | 1.3° | 0.1° |
C16 | C15 | C14 | H7 | 99.4° | 156.7° |
C16 | C15 | C14 | H8 | 20.2° | 36.8° |
C15 | C16 | C17 | H10 | 178.7° | 180.0° |
C16 | C15 | C21 | H12 | 170.8° | 179.7° |
C21 | C15 | C16 | C17 | 7.0° | 0.2° |
C15 | C21 | C19 | H12 | 180.0° | 179.8° |
C15 | C21 | C19 | C18 | 5.9° | 0.5° |
C15 | C21 | C19 | CL20 | 176.2° | 179.7° |
C21 | C15 | C14 | H7 | 89.1° | 23.1° |
C21 | C15 | C14 | H8 | 151.2° | 143.0° |
C21 | C15 | C16 | H9 | 173.0° | 179.7° |
C16 | C17 | C18 | H10 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 1.9° | 0.0° |
C16 | C17 | C18 | H11 | 178.1° | 179.9° |
C21 | C19 | C18 | C17 | 0.4° | 0.3° |
C21 | C19 | C18 | CL20 | 177.8° | 179.7° |
C21 | C19 | C18 | H11 | 179.6° | 179.8° |
C17 | C18 | C19 | H11 | 180.0° | 180.0° |
C17 | C18 | C19 | CL20 | 178.2° | 180.0° |
C18 | C17 | C16 | H9 | 178.7° | 180.0° |
C19 | C18 | C17 | H10 | 178.1° | 180.0° |
C18 | C19 | C21 | H12 | 174.1° | 179.7° |
CL20 | C19 | C18 | H11 | 1.8° | 0.0° |
CL20 | C19 | C21 | H12 | 3.8° | 0.0° |
H3 | C06 | C07 | H4 | 4.9° | 0.1° |
H4 | C07 | C08 | H5 | 1.5° | 0.0° |
H5 | C08 | C09 | H6 | 0.8° | 0.0° |
H9 | C16 | C17 | H10 | 1.3° | 0.0° |
H10 | C17 | C18 | H11 | 1.9° | 0.0° |
H13 | C23 | C24 | H14 | 2.5° | 0.1° |
H16 | C27 | C28 | H17 | 6.4° | 0.0° |
H17 | C28 | C29 | H18 | 4.9° | 0.1° |
H18 | C29 | N30 | H15 | 2.5° | 0.2° |
H19 | C33 | C34 | H20 | 3.0° | 0.0° |