DYR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N26 | C25 | trip | 1.14Å | 1.13Å | |
C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
C20 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
C25 | C19 | sing | 1.43Å | 1.52Å | |
C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
C19 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
C18 | N17 | sing | 1.39Å | 1.46Å | |
O16 | C15 | doub | 1.21Å | 1.20Å | |
C23 | CL1 | sing | 1.74Å | 1.77Å | |
N17 | C15 | sing | 1.35Å | 1.45Å | |
C15 | C14 | sing | 1.51Å | 1.53Å | |
C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C06 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
C05 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
C14 | N07 | sing | 1.47Å | 1.47Å | |
C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
C04 | N07 | sing | 1.38Å | 1.36Å | Aromatic |
C04 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
N07 | C08 | sing | 1.38Å | 1.36Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
C03 | C09 | sing | 1.48Å | 1.46Å | Aromatic |
C08 | C09 | doub | 1.40Å | 1.37Å | Aromatic |
C08 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
C09 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C20 | H3 | sing | 1.08Å | 1.08Å | |
C21 | H4 | sing | 1.08Å | 1.08Å | |
C22 | H5 | sing | 1.08Å | 1.08Å | |
C01 | H6 | sing | 1.08Å | 1.08Å | |
C02 | H7 | sing | 1.08Å | 1.08Å | |
C05 | H8 | sing | 1.08Å | 1.08Å | |
C06 | H9 | sing | 1.08Å | 1.08Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C12 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.09Å | 1.10Å | |
N17 | H14 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N26 | C25 | C19 | 178.7° | 179.9° |
C21 | C20 | C19 | 120.8° | 119.9° |
C20 | C21 | C22 | 119.5° | 120.4° |
C21 | C20 | H3 | 119.6° | 120.1° |
C20 | C21 | H4 | 120.2° | 119.8° |
C20 | C19 | C25 | 120.2° | 120.2° |
C20 | C19 | C18 | 120.2° | 119.6° |
C19 | C20 | H3 | 119.6° | 120.0° |
C25 | C19 | C18 | 119.5° | 120.2° |
C21 | C22 | C23 | 119.0° | 120.3° |
C22 | C21 | H4 | 120.2° | 119.8° |
C21 | C22 | H5 | 120.5° | 119.9° |
C19 | C18 | C23 | 118.7° | 119.7° |
C19 | C18 | N17 | 121.6° | 120.1° |
C22 | C23 | C18 | 121.7° | 120.1° |
C22 | C23 | CL1 | 119.4° | 119.9° |
C23 | C22 | H5 | 120.5° | 119.8° |
C23 | C18 | N17 | 119.7° | 120.2° |
C18 | C23 | CL1 | 118.8° | 120.0° |
C18 | N17 | C15 | 118.5° | 120.1° |
C18 | N17 | H14 | 120.7° | 119.9° |
O16 | C15 | N17 | 120.3° | 120.0° |
O16 | C15 | C14 | 119.7° | 120.0° |
N17 | C15 | C14 | 120.0° | 120.0° |
C15 | N17 | H14 | 120.7° | 120.0° |
C15 | C14 | N07 | 117.2° | 109.5° |
C15 | C14 | H12 | 107.5° | 109.5° |
C15 | C14 | H13 | 107.5° | 109.5° |
C05 | C06 | C01 | 121.1° | 120.6° |
C06 | C05 | C04 | 119.7° | 120.0° |
C06 | C05 | H8 | 120.1° | 120.0° |
C05 | C06 | H9 | 119.4° | 119.7° |
C06 | C01 | C02 | 119.4° | 120.3° |
C06 | C01 | H6 | 120.3° | 119.9° |
C01 | C06 | H9 | 119.5° | 119.7° |
C05 | C04 | N07 | 131.8° | 132.3° |
C05 | C04 | C03 | 119.4° | 119.3° |
C04 | C05 | H8 | 120.1° | 120.0° |
C14 | N07 | C04 | 125.8° | 124.8° |
C14 | N07 | C08 | 124.5° | 124.9° |
N07 | C14 | H12 | 107.5° | 109.5° |
N07 | C14 | H13 | 107.5° | 109.5° |
C01 | C02 | C03 | 119.6° | 119.8° |
C02 | C01 | H6 | 120.3° | 119.8° |
C01 | C02 | H7 | 120.2° | 120.1° |
N07 | C04 | C03 | 108.8° | 108.4° |
C04 | N07 | C08 | 109.6° | 110.3° |
C04 | C03 | C02 | 120.7° | 120.1° |
C04 | C03 | C09 | 106.1° | 106.5° |
N07 | C08 | C09 | 109.1° | 108.4° |
N07 | C08 | C13 | 131.2° | 132.3° |
C02 | C03 | C09 | 133.2° | 133.5° |
C03 | C02 | H7 | 120.2° | 120.2° |
C03 | C09 | C08 | 106.3° | 106.5° |
C03 | C09 | C10 | 133.0° | 133.5° |
C09 | C08 | C13 | 119.6° | 119.3° |
C08 | C09 | C10 | 120.7° | 120.1° |
C08 | C13 | C12 | 120.1° | 120.0° |
C08 | C13 | H2 | 119.9° | 120.0° |
C09 | C10 | C11 | 119.4° | 119.8° |
C09 | C10 | H1 | 120.3° | 120.1° |
C13 | C12 | C11 | 120.3° | 120.6° |
C12 | C13 | H2 | 120.0° | 120.0° |
C13 | C12 | H11 | 119.9° | 119.7° |
C10 | C11 | C12 | 119.8° | 120.3° |
C11 | C10 | H1 | 120.3° | 120.1° |
C10 | C11 | H10 | 120.1° | 119.9° |
C12 | C11 | H10 | 120.1° | 119.8° |
C11 | C12 | H11 | 119.8° | 119.8° |
H12 | C14 | H13 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N26 | C25 | C19 | C20 | 168.0° | 78.7° |
N26 | C25 | C19 | C18 | 13.1° | 101.3° |
C21 | C20 | C19 | H3 | 180.0° | 179.7° |
C21 | C20 | C19 | C25 | 179.7° | 179.9° |
C20 | C21 | C22 | H4 | 180.0° | 180.0° |
C21 | C20 | C19 | C18 | 0.8° | 0.0° |
C20 | C21 | C22 | C23 | 0.6° | 0.0° |
C20 | C21 | C22 | H5 | 179.4° | 179.9° |
C20 | C19 | C25 | C18 | 178.9° | 180.0° |
C19 | C20 | C21 | C22 | 0.2° | 0.0° |
C20 | C19 | C18 | C23 | 0.6° | 0.1° |
C20 | C19 | C18 | N17 | 179.1° | 180.0° |
C19 | C20 | C21 | H4 | 179.8° | 180.0° |
C25 | C19 | C18 | C23 | 179.5° | 179.9° |
C25 | C19 | C18 | N17 | 0.1° | 0.0° |
C25 | C19 | C20 | H3 | 0.3° | 0.3° |
C21 | C22 | C23 | H5 | 180.0° | 179.9° |
C21 | C22 | C23 | C18 | 0.8° | 0.0° |
C21 | C22 | C23 | CL1 | 179.6° | 180.0° |
C22 | C21 | C20 | H3 | 179.8° | 179.7° |
C19 | C18 | C23 | C22 | 0.2° | 0.0° |
C19 | C18 | C23 | N17 | 179.6° | 179.9° |
C19 | C18 | C23 | CL1 | 179.0° | 180.0° |
C19 | C18 | N17 | C15 | 84.1° | 88.8° |
C18 | C19 | C20 | H3 | 179.2° | 179.7° |
C19 | C18 | N17 | H14 | 95.9° | 91.3° |
C22 | C23 | C18 | CL1 | 178.8° | 180.0° |
C22 | C23 | C18 | N17 | 179.9° | 179.9° |
C23 | C22 | C21 | H4 | 179.5° | 180.0° |
C23 | C18 | N17 | C15 | 96.3° | 91.1° |
C18 | C23 | C22 | H5 | 179.2° | 179.9° |
C23 | C18 | N17 | H14 | 83.7° | 88.8° |
C18 | N17 | C15 | O16 | 1.4° | 5.0° |
N17 | C18 | C23 | CL1 | 1.3° | 0.1° |
C18 | N17 | C15 | H14 | 180.0° | 179.9° |
C18 | N17 | C15 | C14 | 179.4° | 174.9° |
O16 | C15 | N17 | C14 | 179.2° | 180.0° |
O16 | C15 | C14 | N07 | 167.9° | 0.0° |
O16 | C15 | C14 | H12 | 46.7° | 120.0° |
O16 | C15 | C14 | H13 | 71.0° | 120.0° |
O16 | C15 | N17 | H14 | 178.6° | 174.9° |
CL1 | C23 | C22 | H5 | 0.4° | 0.1° |
N17 | C15 | C14 | N07 | 12.9° | 180.0° |
N17 | C15 | C14 | H12 | 134.1° | 60.0° |
N17 | C15 | C14 | H13 | 108.2° | 60.0° |
C15 | C14 | N07 | H12 | 121.1° | 120.1° |
C15 | C14 | N07 | H13 | 121.1° | 120.0° |
C15 | C14 | N07 | C04 | 97.2° | 90.0° |
C15 | C14 | N07 | C08 | 85.8° | 90.0° |
C15 | C14 | H12 | H13 | 116.4° | 120.0° |
C14 | C15 | N17 | H14 | 0.6° | 5.1° |
C05 | C06 | C01 | H9 | 180.0° | 180.0° |
C06 | C05 | C04 | H8 | 180.0° | 180.0° |
C05 | C06 | C01 | C02 | 0.5° | 0.0° |
C06 | C05 | C04 | N07 | 179.6° | 180.0° |
C06 | C05 | C04 | C03 | 0.7° | 0.1° |
C05 | C06 | C01 | H6 | 179.4° | 180.0° |
C01 | C06 | C05 | C04 | 0.7° | 0.0° |
C06 | C01 | C02 | H6 | 180.0° | 180.0° |
C06 | C01 | C02 | C03 | 0.4° | 0.0° |
C06 | C01 | C02 | H7 | 179.6° | 180.0° |
C01 | C06 | C05 | H8 | 179.3° | 180.0° |
C05 | C04 | N07 | C14 | 1.2° | 0.1° |
C05 | C04 | N07 | C03 | 179.0° | 179.9° |
C05 | C04 | N07 | C08 | 178.6° | 180.0° |
C05 | C04 | C03 | C02 | 0.6° | 0.0° |
C05 | C04 | C03 | C09 | 179.1° | 180.0° |
C04 | C05 | C06 | H9 | 179.3° | 180.0° |
C14 | N07 | C04 | C08 | 177.4° | 180.0° |
C14 | N07 | C04 | C03 | 177.7° | 180.0° |
C14 | N07 | C08 | C09 | 177.9° | 180.0° |
C14 | N07 | C08 | C13 | 4.2° | 0.6° |
N07 | C14 | H12 | H13 | 116.5° | 120.0° |
C01 | C02 | C03 | C04 | 0.4° | 0.0° |
C01 | C02 | C03 | H7 | 180.0° | 179.9° |
C01 | C02 | C03 | C09 | 179.1° | 180.0° |
C02 | C01 | C06 | H9 | 179.5° | 180.0° |
N07 | C04 | C03 | C02 | 179.7° | 180.0° |
N07 | C04 | C03 | C09 | 0.0° | 0.1° |
C04 | N07 | C08 | C09 | 0.5° | 0.0° |
C04 | N07 | C08 | C13 | 178.4° | 179.4° |
N07 | C04 | C05 | H8 | 0.4° | 0.1° |
C04 | N07 | C14 | H12 | 141.7° | 30.0° |
C04 | N07 | C14 | H13 | 23.9° | 150.0° |
C03 | C04 | N07 | C08 | 0.4° | 0.0° |
C04 | C03 | C02 | C09 | 179.5° | 180.0° |
C04 | C03 | C09 | C08 | 0.3° | 0.0° |
C04 | C03 | C09 | C10 | 179.0° | 180.0° |
C04 | C03 | C02 | H7 | 179.5° | 179.9° |
C03 | C04 | C05 | H8 | 179.3° | 180.0° |
N07 | C08 | C09 | C03 | 0.5° | 0.0° |
N07 | C08 | C09 | C13 | 178.2° | 179.5° |
N07 | C08 | C09 | C10 | 178.9° | 179.9° |
N07 | C08 | C13 | C12 | 179.3° | 179.8° |
N07 | C08 | C13 | H2 | 0.7° | 0.4° |
C08 | N07 | C14 | H12 | 35.3° | 149.9° |
C08 | N07 | C14 | H13 | 153.1° | 30.0° |
C02 | C03 | C09 | C08 | 179.3° | 180.0° |
C02 | C03 | C09 | C10 | 1.4° | 0.1° |
C03 | C02 | C01 | H6 | 179.6° | 180.0° |
C03 | C09 | C08 | C10 | 179.4° | 179.9° |
C03 | C09 | C08 | C13 | 178.7° | 179.5° |
C03 | C09 | C10 | C11 | 179.5° | 179.9° |
C03 | C09 | C10 | H1 | 0.5° | 0.2° |
C09 | C03 | C02 | H7 | 0.9° | 0.0° |
C09 | C08 | C13 | C12 | 1.6° | 0.8° |
C08 | C09 | C10 | C11 | 0.3° | 0.0° |
C08 | C09 | C10 | H1 | 179.7° | 179.7° |
C09 | C08 | C13 | H2 | 178.4° | 179.8° |
C13 | C08 | C09 | C10 | 0.7° | 0.5° |
C08 | C13 | C12 | H2 | 180.0° | 179.5° |
C08 | C13 | C12 | C11 | 1.5° | 0.5° |
C08 | C13 | C12 | H11 | 178.5° | 180.0° |
C09 | C10 | C11 | H1 | 180.0° | 179.7° |
C09 | C10 | C11 | C12 | 0.4° | 0.2° |
C09 | C10 | C11 | H10 | 179.6° | 179.8° |
C13 | C12 | C11 | C10 | 0.5° | 0.0° |
C13 | C12 | C11 | H11 | 180.0° | 179.5° |
C13 | C12 | C11 | H10 | 179.5° | 180.0° |
C10 | C11 | C12 | H10 | 180.0° | 180.0° |
C10 | C11 | C12 | H11 | 179.5° | 179.5° |
C12 | C11 | C10 | H1 | 179.6° | 180.0° |
C11 | C12 | C13 | H2 | 178.5° | 180.0° |
H1 | C10 | C11 | H10 | 0.4° | 0.0° |
H2 | C13 | C12 | H11 | 1.5° | 0.5° |
H3 | C20 | C21 | H4 | 0.2° | 0.3° |
H4 | C21 | C22 | H5 | 0.5° | 0.0° |
H6 | C01 | C02 | H7 | 0.5° | 0.0° |
H6 | C01 | C06 | H9 | 0.6° | 0.1° |
H8 | C05 | C06 | H9 | 0.7° | 0.0° |
H10 | C11 | C12 | H11 | 0.5° | 0.5° |