NRY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F07 | C06 | sing | 1.35Å | 1.35Å | |
C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
C06 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
C04 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
C25 | N24 | sing | 1.38Å | 1.36Å | Aromatic |
C25 | C26 | doub | 1.35Å | 1.39Å | Aromatic |
C23 | N24 | sing | 1.36Å | 1.37Å | Aromatic |
C23 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
C09 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
N24 | C20 | sing | 1.38Å | 1.32Å | Aromatic |
C03 | C02 | sing | 1.47Å | 1.53Å | |
C26 | N11 | sing | 1.34Å | 1.35Å | Aromatic |
C22 | C21 | sing | 1.40Å | 1.34Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
C20 | C12 | sing | 1.46Å | 1.40Å | Aromatic |
N11 | C12 | doub | 1.32Å | 1.36Å | Aromatic |
N11 | C10 | sing | 1.46Å | 1.43Å | |
C02 | O01 | doub | 1.21Å | 1.18Å | |
C02 | C10 | sing | 1.51Å | 1.48Å | |
C12 | C13 | sing | 1.48Å | 1.55Å | |
C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
C13 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
C18 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
C16 | F17 | sing | 1.35Å | 1.35Å | |
C26 | H1 | sing | 1.08Å | 1.08Å | |
C25 | H2 | sing | 1.08Å | 1.08Å | |
C22 | H3 | sing | 1.08Å | 1.08Å | |
C23 | H4 | sing | 1.08Å | 1.08Å | |
C15 | H5 | sing | 1.08Å | 1.08Å | |
C14 | H6 | sing | 1.08Å | 1.08Å | |
C05 | H7 | sing | 1.08Å | 1.08Å | |
C04 | H8 | sing | 1.08Å | 1.08Å | |
C08 | H9 | sing | 1.08Å | 1.08Å | |
C09 | H10 | sing | 1.08Å | 1.08Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.08Å | 1.08Å | |
C19 | H14 | sing | 1.08Å | 1.08Å | |
C21 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F07 | C06 | C05 | 120.1° | 119.8° |
F07 | C06 | C08 | 118.0° | 119.8° |
C05 | C06 | C08 | 121.9° | 120.3° |
C06 | C05 | C04 | 118.4° | 120.1° |
C06 | C05 | H7 | 120.8° | 120.0° |
C06 | C08 | C09 | 119.7° | 120.1° |
C06 | C08 | H9 | 120.2° | 119.9° |
C05 | C04 | C03 | 119.9° | 119.9° |
C04 | C05 | H7 | 120.8° | 119.9° |
C05 | C04 | H8 | 120.0° | 120.1° |
C08 | C09 | C03 | 119.2° | 119.9° |
C09 | C08 | H9 | 120.1° | 120.0° |
C08 | C09 | H10 | 120.4° | 120.0° |
C04 | C03 | C09 | 120.9° | 119.7° |
C04 | C03 | C02 | 120.3° | 120.1° |
C03 | C04 | H8 | 120.1° | 120.0° |
N24 | C25 | C26 | 118.1° | 120.5° |
C25 | N24 | C23 | 129.6° | 133.1° |
C25 | N24 | C20 | 122.5° | 118.6° |
N24 | C25 | H2 | 120.9° | 119.8° |
C25 | C26 | N11 | 119.3° | 122.4° |
C25 | C26 | H1 | 120.3° | 118.8° |
C26 | C25 | H2 | 120.9° | 119.7° |
N24 | C23 | C22 | 107.2° | 109.0° |
C23 | N24 | C20 | 107.9° | 108.3° |
N24 | C23 | H4 | 126.4° | 125.5° |
C23 | C22 | C21 | 109.5° | 107.9° |
C23 | C22 | H3 | 125.3° | 126.0° |
C22 | C23 | H4 | 126.4° | 125.6° |
C09 | C03 | C02 | 118.7° | 120.1° |
C03 | C09 | H10 | 120.4° | 120.1° |
N24 | C20 | C21 | 110.0° | 107.7° |
N24 | C20 | C12 | 120.4° | 118.5° |
C03 | C02 | O01 | 126.3° | 120.0° |
C03 | C02 | C10 | 118.1° | 120.0° |
C26 | N11 | C12 | 122.2° | 121.1° |
C26 | N11 | C10 | 117.4° | 119.4° |
N11 | C26 | H1 | 120.4° | 118.8° |
C22 | C21 | C20 | 105.3° | 107.0° |
C21 | C22 | H3 | 125.2° | 126.1° |
C22 | C21 | H15 | 127.4° | 126.5° |
C21 | C20 | C12 | 129.6° | 133.8° |
C20 | C21 | H15 | 127.4° | 126.5° |
C20 | C12 | N11 | 117.5° | 118.8° |
C20 | C12 | C13 | 114.0° | 120.6° |
C12 | N11 | C10 | 120.2° | 119.4° |
N11 | C12 | C13 | 128.4° | 120.6° |
N11 | C10 | C02 | 114.4° | 109.5° |
N11 | C10 | H11 | 108.2° | 109.5° |
N11 | C10 | H12 | 108.2° | 109.5° |
O01 | C02 | C10 | 115.4° | 120.0° |
C02 | C10 | H11 | 108.2° | 109.4° |
C02 | C10 | H12 | 108.2° | 109.4° |
C12 | C13 | C14 | 122.1° | 120.1° |
C12 | C13 | C19 | 118.6° | 120.1° |
C14 | C13 | C19 | 119.2° | 119.8° |
C13 | C14 | C15 | 120.1° | 119.9° |
C13 | C14 | H6 | 119.9° | 120.1° |
C13 | C19 | C18 | 120.8° | 119.8° |
C13 | C19 | H14 | 119.6° | 120.1° |
C14 | C15 | C16 | 119.3° | 120.1° |
C14 | C15 | H5 | 120.3° | 120.0° |
C15 | C14 | H6 | 119.9° | 120.0° |
C19 | C18 | C16 | 118.7° | 120.1° |
C19 | C18 | H13 | 120.6° | 119.9° |
C18 | C19 | H14 | 119.6° | 120.1° |
C15 | C16 | C18 | 121.7° | 120.2° |
C15 | C16 | F17 | 119.5° | 119.9° |
C16 | C15 | H5 | 120.3° | 119.9° |
C18 | C16 | F17 | 118.8° | 119.9° |
C16 | C18 | H13 | 120.6° | 119.9° |
H11 | C10 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F07 | C06 | C05 | C08 | 180.0° | 179.7° |
F07 | C06 | C05 | C04 | 179.8° | 179.8° |
F07 | C06 | C08 | C09 | 179.9° | 179.8° |
F07 | C06 | C05 | H7 | 0.2° | 0.2° |
F07 | C06 | C08 | H9 | 0.1° | 0.3° |
C06 | C05 | C04 | H7 | 180.0° | 180.0° |
C05 | C06 | C08 | C09 | 0.1° | 0.0° |
C06 | C05 | C04 | C03 | 0.8° | 0.0° |
C06 | C05 | C04 | H8 | 179.2° | 179.9° |
C05 | C06 | C08 | H9 | 179.9° | 179.9° |
C08 | C06 | C05 | C04 | 0.2° | 0.0° |
C06 | C08 | C09 | H9 | 180.0° | 179.9° |
C06 | C08 | C09 | C03 | 0.2° | 0.0° |
C08 | C06 | C05 | H7 | 179.8° | 180.0° |
C06 | C08 | C09 | H10 | 179.8° | 180.0° |
C05 | C04 | C03 | H8 | 180.0° | 179.9° |
C05 | C04 | C03 | C09 | 1.1° | 0.0° |
C05 | C04 | C03 | C02 | 179.2° | 180.0° |
C08 | C09 | C03 | C04 | 0.8° | 0.0° |
C08 | C09 | C03 | H10 | 180.0° | 180.0° |
C08 | C09 | C03 | C02 | 178.9° | 179.9° |
C04 | C03 | C09 | C02 | 178.1° | 179.9° |
C04 | C03 | C02 | O01 | 149.6° | 0.0° |
C04 | C03 | C02 | C10 | 36.1° | 180.0° |
C03 | C04 | C05 | H7 | 179.2° | 180.0° |
C04 | C03 | C09 | H10 | 179.1° | 180.0° |
N24 | C25 | C26 | H2 | 180.0° | 179.9° |
C25 | N24 | C23 | C20 | 179.5° | 180.0° |
C25 | N24 | C23 | C22 | 179.8° | 180.0° |
N24 | C25 | C26 | N11 | 0.8° | 0.1° |
C25 | N24 | C20 | C21 | 179.6° | 179.7° |
C25 | N24 | C20 | C12 | 0.2° | 0.2° |
N24 | C25 | C26 | H1 | 179.2° | 179.8° |
C25 | N24 | C23 | H4 | 0.2° | 0.0° |
C26 | C25 | N24 | C23 | 179.0° | 180.0° |
C26 | C25 | N24 | C20 | 0.4° | 0.1° |
C25 | C26 | N11 | H1 | 180.0° | 179.7° |
C25 | C26 | N11 | C12 | 2.3° | 0.3° |
C25 | C26 | N11 | C10 | 178.0° | 179.7° |
N24 | C23 | C22 | H4 | 180.0° | 179.9° |
N24 | C23 | C22 | C21 | 0.6° | 0.2° |
C23 | N24 | C20 | C21 | 0.1° | 0.3° |
C23 | N24 | C20 | C12 | 179.3° | 179.8° |
C23 | N24 | C25 | H2 | 1.0° | 0.0° |
N24 | C23 | C22 | H3 | 179.4° | 179.9° |
C22 | C23 | N24 | C20 | 0.4° | 0.0° |
C23 | C22 | C21 | H3 | 180.0° | 179.7° |
C23 | C22 | C21 | C20 | 0.5° | 0.4° |
C23 | C22 | C21 | H15 | 179.5° | 180.0° |
C09 | C03 | C02 | O01 | 32.3° | 179.9° |
C09 | C03 | C02 | C10 | 142.0° | 0.1° |
C09 | C03 | C04 | H8 | 178.8° | 179.9° |
C03 | C09 | C08 | H9 | 179.8° | 179.9° |
N24 | C20 | C21 | C22 | 0.3° | 0.4° |
N24 | C20 | C21 | C12 | 179.3° | 179.9° |
N24 | C20 | C12 | N11 | 1.1° | 0.4° |
N24 | C20 | C12 | C13 | 178.5° | 180.0° |
C20 | N24 | C25 | H2 | 179.6° | 180.0° |
C20 | N24 | C23 | H4 | 179.7° | 180.0° |
N24 | C20 | C21 | H15 | 179.7° | 180.0° |
C03 | C02 | C10 | N11 | 81.2° | 180.0° |
C03 | C02 | O01 | C10 | 174.4° | 180.0° |
C02 | C03 | C04 | H8 | 0.8° | 0.0° |
C02 | C03 | C09 | H10 | 1.1° | 0.0° |
C03 | C02 | C10 | H11 | 158.1° | 59.9° |
C03 | C02 | C10 | H12 | 39.5° | 60.0° |
C26 | N11 | C12 | C20 | 2.4° | 0.4° |
C26 | N11 | C12 | C10 | 175.6° | 180.0° |
C26 | N11 | C10 | C02 | 79.7° | 66.0° |
C26 | N11 | C12 | C13 | 179.3° | 180.0° |
N11 | C26 | C25 | H2 | 179.2° | 180.0° |
C26 | N11 | C10 | H11 | 159.5° | 174.1° |
C26 | N11 | C10 | H12 | 41.0° | 54.0° |
C22 | C21 | C20 | H15 | 180.0° | 179.6° |
C22 | C21 | C20 | C12 | 179.6° | 179.7° |
C21 | C22 | C23 | H4 | 179.5° | 179.7° |
C21 | C20 | C12 | N11 | 178.1° | 179.5° |
C21 | C20 | C12 | C13 | 0.7° | 0.1° |
C20 | C21 | C22 | H3 | 179.5° | 180.0° |
C20 | C12 | N11 | C13 | 176.9° | 179.6° |
C20 | C12 | N11 | C10 | 178.0° | 179.6° |
C20 | C12 | C13 | C14 | 158.0° | 53.9° |
C20 | C12 | C13 | C19 | 18.6° | 126.0° |
C12 | C20 | C21 | H15 | 0.5° | 0.1° |
C12 | N11 | C10 | C02 | 104.5° | 114.0° |
N11 | C12 | C13 | C14 | 19.0° | 126.5° |
N11 | C12 | C13 | C19 | 164.4° | 53.6° |
C12 | N11 | C26 | H1 | 177.8° | 180.0° |
C12 | N11 | C10 | H11 | 16.3° | 6.0° |
C12 | N11 | C10 | H12 | 134.8° | 126.0° |
N11 | C10 | C02 | O01 | 103.9° | 0.0° |
N11 | C10 | C02 | H11 | 120.7° | 120.0° |
N11 | C10 | C02 | H12 | 120.7° | 120.0° |
C10 | N11 | C12 | C13 | 5.1° | 0.0° |
C10 | N11 | C26 | H1 | 2.1° | 0.0° |
N11 | C10 | H11 | H12 | 117.7° | 120.1° |
O01 | C02 | C10 | H11 | 16.8° | 120.1° |
O01 | C02 | C10 | H12 | 135.4° | 120.0° |
C02 | C10 | H11 | H12 | 117.8° | 119.9° |
C12 | C13 | C14 | C19 | 176.5° | 180.0° |
C12 | C13 | C14 | C15 | 179.1° | 180.0° |
C12 | C13 | C19 | C18 | 178.6° | 179.7° |
C12 | C13 | C14 | H6 | 0.9° | 0.0° |
C12 | C13 | C19 | H14 | 1.4° | 0.0° |
C13 | C14 | C15 | H6 | 180.0° | 180.0° |
C14 | C13 | C19 | C18 | 1.9° | 0.2° |
C13 | C14 | C15 | C16 | 1.6° | 0.1° |
C13 | C14 | C15 | H5 | 178.3° | 179.7° |
C14 | C13 | C19 | H14 | 178.1° | 180.0° |
C19 | C13 | C14 | C15 | 2.6° | 0.1° |
C13 | C19 | C18 | H14 | 180.0° | 179.8° |
C13 | C19 | C18 | C16 | 0.3° | 0.5° |
C19 | C13 | C14 | H6 | 177.4° | 180.0° |
C13 | C19 | C18 | H13 | 179.7° | 180.0° |
C14 | C15 | C16 | H5 | 180.0° | 179.8° |
C14 | C15 | C16 | C18 | 0.0° | 0.2° |
C14 | C15 | C16 | F17 | 179.7° | 179.8° |
C19 | C18 | C16 | C15 | 0.7° | 0.5° |
C19 | C18 | C16 | H13 | 180.0° | 179.5° |
C19 | C18 | C16 | F17 | 179.6° | 179.5° |
C15 | C16 | C18 | F17 | 179.7° | 180.0° |
C16 | C15 | C14 | H6 | 178.4° | 180.0° |
C15 | C16 | C18 | H13 | 179.3° | 180.0° |
C18 | C16 | C15 | H5 | 180.0° | 180.0° |
C16 | C18 | C19 | H14 | 179.7° | 179.7° |
F17 | C16 | C15 | H5 | 0.3° | 0.0° |
F17 | C16 | C18 | H13 | 0.3° | 0.0° |
H1 | C26 | C25 | H2 | 0.8° | 0.3° |
H3 | C22 | C23 | H4 | 0.6° | 0.1° |
H3 | C22 | C21 | H15 | 0.5° | 0.4° |
H5 | C15 | C14 | H6 | 1.7° | 0.2° |
H7 | C05 | C04 | H8 | 0.8° | 0.0° |
H9 | C08 | C09 | H10 | 0.2° | 0.1° |
H13 | C18 | C19 | H14 | 0.3° | 0.2° |