UC7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C17 | doub | 1.22Å | 1.25Å | |
C16 | C15 | sing | 1.53Å | 1.51Å | |
C15 | C14 | sing | 1.53Å | 1.53Å | |
C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C19 | sing | 1.47Å | 1.49Å | |
C17 | N12 | sing | 1.35Å | 1.43Å | |
C19 | C24 | sing | 1.41Å | 1.48Å | Aromatic |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C13 | N12 | sing | 1.46Å | 1.47Å | |
N12 | C10 | sing | 1.35Å | 1.43Å | |
C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
C24 | C23 | doub | 1.41Å | 1.47Å | Aromatic |
C24 | C09 | sing | 1.42Å | 1.48Å | Aromatic |
C23 | C06 | sing | 1.42Å | 1.49Å | Aromatic |
C10 | C09 | sing | 1.47Å | 1.50Å | |
C10 | O11 | doub | 1.22Å | 1.25Å | |
C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
C06 | N05 | sing | 1.38Å | 1.36Å | |
C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
N05 | C04 | sing | 1.46Å | 1.45Å | |
C08 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
C04 | C03 | sing | 1.53Å | 1.53Å | |
C03 | C02 | sing | 1.53Å | 1.52Å | |
C02 | C01 | sing | 1.53Å | 1.52Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C04 | H9 | sing | 1.09Å | 1.10Å | |
C07 | H10 | sing | 1.08Å | 1.08Å | |
C08 | H11 | sing | 1.08Å | 1.08Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H16 | sing | 1.09Å | 1.10Å | |
C15 | H17 | sing | 1.09Å | 1.10Å | |
C16 | H18 | sing | 1.09Å | 1.10Å | |
C16 | H19 | sing | 1.09Å | 1.10Å | |
C16 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.08Å | 1.08Å | |
C21 | H22 | sing | 1.08Å | 1.08Å | |
C22 | H23 | sing | 1.08Å | 1.08Å | |
N05 | H24 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O18 | C17 | C19 | 118.7° | 119.8° |
O18 | C17 | N12 | 120.4° | 119.8° |
C16 | C15 | C14 | 112.5° | 109.5° |
C16 | C15 | H16 | 108.7° | 109.4° |
C16 | C15 | H17 | 108.7° | 109.5° |
C15 | C16 | H18 | 109.5° | 109.4° |
C15 | C16 | H19 | 109.5° | 109.5° |
C15 | C16 | H20 | 109.5° | 109.5° |
C15 | C14 | C13 | 109.9° | 109.5° |
C15 | C14 | H14 | 109.4° | 109.5° |
C15 | C14 | H15 | 109.3° | 109.5° |
C14 | C15 | H16 | 108.7° | 109.5° |
C14 | C15 | H17 | 108.7° | 109.5° |
C21 | C20 | C19 | 121.1° | 120.2° |
C20 | C21 | C22 | 122.6° | 121.4° |
C21 | C20 | H21 | 119.5° | 119.9° |
C20 | C21 | H22 | 118.7° | 119.3° |
C20 | C19 | C17 | 123.1° | 122.2° |
C20 | C19 | C24 | 118.2° | 119.1° |
C19 | C20 | H21 | 119.5° | 119.9° |
C21 | C22 | C23 | 120.1° | 120.0° |
C22 | C21 | H22 | 118.7° | 119.4° |
C21 | C22 | H23 | 119.9° | 120.0° |
C19 | C17 | N12 | 120.9° | 120.3° |
C17 | C19 | C24 | 118.8° | 118.7° |
C17 | N12 | C13 | 118.0° | 118.7° |
C17 | N12 | C10 | 121.4° | 122.5° |
C19 | C24 | C23 | 119.3° | 120.3° |
C19 | C24 | C09 | 119.8° | 119.4° |
C14 | C13 | N12 | 110.8° | 109.5° |
C14 | C13 | H12 | 109.2° | 109.5° |
C14 | C13 | H13 | 109.1° | 109.4° |
C13 | C14 | H14 | 109.3° | 109.4° |
C13 | C14 | H15 | 109.4° | 109.5° |
C13 | N12 | C10 | 120.6° | 118.8° |
N12 | C13 | H12 | 109.1° | 109.5° |
N12 | C13 | H13 | 109.1° | 109.5° |
N12 | C10 | C09 | 120.5° | 120.4° |
N12 | C10 | O11 | 120.0° | 119.8° |
C22 | C23 | C24 | 118.8° | 119.0° |
C22 | C23 | C06 | 123.6° | 122.1° |
C23 | C22 | H23 | 119.9° | 120.0° |
C23 | C24 | C09 | 120.9° | 120.4° |
C24 | C23 | C06 | 117.6° | 118.9° |
C24 | C09 | C10 | 118.7° | 118.7° |
C24 | C09 | C08 | 117.6° | 119.3° |
C23 | C06 | N05 | 119.9° | 120.1° |
C23 | C06 | C07 | 118.0° | 119.7° |
C09 | C10 | O11 | 119.5° | 119.8° |
C10 | C09 | C08 | 123.8° | 122.0° |
C09 | C08 | C07 | 121.9° | 120.4° |
C09 | C08 | H11 | 119.0° | 119.7° |
N05 | C06 | C07 | 122.1° | 120.2° |
C06 | N05 | C04 | 121.1° | 120.0° |
C06 | N05 | H24 | 106.5° | 120.1° |
C06 | C07 | C08 | 123.9° | 121.3° |
C06 | C07 | H10 | 118.1° | 119.3° |
N05 | C04 | C03 | 110.8° | 109.5° |
N05 | C04 | H8 | 109.2° | 109.4° |
N05 | C04 | H9 | 109.2° | 109.5° |
C04 | N05 | H24 | 106.5° | 120.0° |
C08 | C07 | H10 | 118.0° | 119.3° |
C07 | C08 | H11 | 119.1° | 119.9° |
C04 | C03 | C02 | 110.7° | 109.5° |
C04 | C03 | H6 | 109.2° | 109.4° |
C04 | C03 | H7 | 109.2° | 109.5° |
C03 | C04 | H8 | 109.1° | 109.4° |
C03 | C04 | H9 | 109.1° | 109.5° |
C03 | C02 | C01 | 113.1° | 109.5° |
C03 | C02 | H4 | 108.6° | 109.4° |
C03 | C02 | H5 | 108.6° | 109.5° |
C02 | C03 | H6 | 109.2° | 109.4° |
C02 | C03 | H7 | 109.2° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.4° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
C01 | C02 | H4 | 108.6° | 109.4° |
C01 | C02 | H5 | 108.6° | 109.5° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.4° |
H2 | C01 | H3 | 109.4° | 109.5° |
H4 | C02 | H5 | 109.4° | 109.4° |
H6 | C03 | H7 | 109.5° | 109.4° |
H8 | C04 | H9 | 109.4° | 109.4° |
H12 | C13 | H13 | 109.5° | 109.4° |
H14 | C14 | H15 | 109.5° | 109.5° |
H16 | C15 | H17 | 109.5° | 109.5° |
H18 | C16 | H19 | 109.5° | 109.5° |
H18 | C16 | H20 | 109.5° | 109.4° |
H19 | C16 | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C17 | C19 | C20 | 0.0° | 0.1° |
O18 | C17 | C19 | N12 | 179.5° | 179.9° |
O18 | C17 | C19 | C24 | 179.9° | 180.0° |
O18 | C17 | N12 | C13 | 0.4° | 0.0° |
O18 | C17 | N12 | C10 | 179.8° | 180.0° |
C16 | C15 | C14 | H16 | 120.5° | 120.0° |
C16 | C15 | C14 | H17 | 120.5° | 120.0° |
C16 | C15 | C14 | C13 | 132.1° | 180.0° |
C16 | C15 | C14 | H14 | 12.1° | 60.0° |
C16 | C15 | C14 | H15 | 107.8° | 60.0° |
C16 | C15 | H16 | H17 | 118.6° | 120.0° |
C15 | C16 | H18 | H19 | 120.0° | 120.0° |
C15 | C16 | H18 | H20 | 120.0° | 120.0° |
C15 | C16 | H19 | H20 | 120.0° | 120.0° |
C15 | C14 | C13 | H14 | 120.1° | 120.0° |
C15 | C14 | C13 | H15 | 120.0° | 120.0° |
C15 | C14 | C13 | N12 | 88.0° | 180.0° |
C15 | C14 | C13 | H12 | 151.8° | 59.9° |
C15 | C14 | C13 | H13 | 32.2° | 60.0° |
C15 | C14 | H14 | H15 | 119.8° | 120.0° |
C14 | C15 | H16 | H17 | 118.6° | 120.0° |
C14 | C15 | C16 | H18 | 180.0° | 60.0° |
C14 | C15 | C16 | H19 | 60.0° | 60.0° |
C14 | C15 | C16 | H20 | 60.0° | 180.0° |
C21 | C20 | C19 | H21 | 180.0° | 179.4° |
C20 | C21 | C22 | H22 | 180.0° | 179.4° |
C21 | C20 | C19 | C17 | 179.5° | 180.0° |
C21 | C20 | C19 | C24 | 0.4° | 0.0° |
C20 | C21 | C22 | C23 | 0.1° | 0.9° |
C20 | C21 | C22 | H23 | 179.9° | 179.9° |
C19 | C20 | C21 | C22 | 0.4° | 0.6° |
C20 | C19 | C17 | C24 | 179.9° | 180.0° |
C20 | C19 | C17 | N12 | 179.5° | 180.0° |
C20 | C19 | C24 | C23 | 0.0° | 0.3° |
C20 | C19 | C24 | C09 | 179.7° | 180.0° |
C19 | C20 | C21 | H22 | 179.6° | 180.0° |
C21 | C22 | C23 | H23 | 180.0° | 179.0° |
C21 | C22 | C23 | C24 | 0.3° | 0.6° |
C21 | C22 | C23 | C06 | 179.6° | 179.2° |
C22 | C21 | C20 | H21 | 179.6° | 180.0° |
C19 | C17 | N12 | C13 | 179.9° | 180.0° |
C19 | C17 | N12 | C10 | 0.7° | 0.0° |
C17 | C19 | C24 | C23 | 179.9° | 179.8° |
C17 | C19 | C24 | C09 | 0.2° | 0.0° |
C17 | C19 | C20 | H21 | 0.5° | 0.6° |
N12 | C17 | C19 | C24 | 0.4° | 0.0° |
C17 | N12 | C13 | C14 | 93.4° | 90.0° |
C17 | N12 | C13 | C10 | 179.4° | 180.0° |
C17 | N12 | C10 | C09 | 0.8° | 0.0° |
C17 | N12 | C10 | O11 | 179.8° | 180.0° |
C17 | N12 | C13 | H12 | 146.3° | 30.0° |
C17 | N12 | C13 | H13 | 26.7° | 150.0° |
C19 | C24 | C23 | C22 | 0.3° | 0.0° |
C19 | C24 | C23 | C09 | 179.7° | 179.7° |
C19 | C24 | C23 | C06 | 179.6° | 179.7° |
C19 | C24 | C09 | C10 | 0.3° | 0.0° |
C19 | C24 | C09 | C08 | 179.7° | 180.0° |
C24 | C19 | C20 | H21 | 179.6° | 179.4° |
C14 | C13 | N12 | H12 | 120.2° | 120.0° |
C14 | C13 | N12 | H13 | 120.2° | 120.0° |
C14 | C13 | N12 | C10 | 87.1° | 90.0° |
C14 | C13 | H12 | H13 | 119.4° | 119.9° |
C13 | C14 | H14 | H15 | 119.8° | 120.0° |
C13 | C14 | C15 | H16 | 107.4° | 60.0° |
C13 | C14 | C15 | H17 | 11.7° | 60.0° |
C13 | N12 | C10 | C09 | 179.8° | 180.0° |
C13 | N12 | C10 | O11 | 0.4° | 0.0° |
N12 | C13 | H12 | H13 | 119.4° | 120.1° |
N12 | C13 | C14 | H14 | 32.1° | 60.0° |
N12 | C13 | C14 | H15 | 152.0° | 60.0° |
N12 | C10 | C09 | C24 | 0.6° | 0.0° |
N12 | C10 | C09 | O11 | 179.4° | 180.0° |
N12 | C10 | C09 | C08 | 180.0° | 180.0° |
C10 | N12 | C13 | H12 | 33.1° | 150.0° |
C10 | N12 | C13 | H13 | 152.7° | 30.0° |
C22 | C23 | C24 | C06 | 179.9° | 179.8° |
C22 | C23 | C24 | C09 | 179.4° | 179.7° |
C22 | C23 | C06 | N05 | 0.8° | 0.0° |
C22 | C23 | C06 | C07 | 180.0° | 179.7° |
C23 | C22 | C21 | H22 | 179.9° | 179.7° |
C23 | C24 | C09 | C10 | 180.0° | 179.8° |
C23 | C24 | C09 | C08 | 0.6° | 0.3° |
C24 | C23 | C06 | N05 | 179.3° | 179.7° |
C24 | C23 | C06 | C07 | 0.1° | 0.5° |
C24 | C23 | C22 | H23 | 179.7° | 179.6° |
C09 | C24 | C23 | C06 | 0.7° | 0.5° |
C24 | C09 | C10 | C08 | 179.4° | 180.0° |
C24 | C09 | C10 | O11 | 180.0° | 180.0° |
C24 | C09 | C08 | C07 | 0.1° | 0.0° |
C24 | C09 | C08 | H11 | 179.9° | 180.0° |
C23 | C06 | N05 | C07 | 179.1° | 179.7° |
C23 | C06 | N05 | C04 | 170.3° | 179.7° |
C23 | C06 | C07 | C08 | 0.6° | 0.3° |
C23 | C06 | C07 | H10 | 179.4° | 179.8° |
C06 | C23 | C22 | H23 | 0.4° | 0.1° |
C23 | C06 | N05 | H24 | 48.7° | 0.2° |
C10 | C09 | C08 | C07 | 179.3° | 180.0° |
C10 | C09 | C08 | H11 | 0.7° | 0.0° |
O11 | C10 | C09 | C08 | 0.6° | 0.0° |
C09 | C08 | C07 | C06 | 0.7° | 0.0° |
C09 | C08 | C07 | H11 | 180.0° | 180.0° |
C09 | C08 | C07 | H10 | 179.3° | 179.9° |
C06 | N05 | C04 | H24 | 121.6° | 179.9° |
N05 | C06 | C07 | C08 | 178.5° | 180.0° |
C06 | N05 | C04 | C03 | 101.6° | 180.0° |
C06 | N05 | C04 | H8 | 138.2° | 60.1° |
C06 | N05 | C04 | H9 | 18.6° | 59.9° |
N05 | C06 | C07 | H10 | 1.5° | 0.1° |
C07 | C06 | N05 | C04 | 10.6° | 0.1° |
C06 | C07 | C08 | H10 | 180.0° | 179.9° |
C06 | C07 | C08 | H11 | 179.2° | 180.0° |
C07 | C06 | N05 | H24 | 132.2° | 179.9° |
N05 | C04 | C03 | H8 | 120.2° | 119.9° |
N05 | C04 | C03 | H9 | 120.2° | 120.1° |
N05 | C04 | C03 | C02 | 134.9° | 180.0° |
N05 | C04 | C03 | H6 | 14.7° | 60.1° |
N05 | C04 | C03 | H7 | 104.9° | 59.9° |
N05 | C04 | H8 | H9 | 119.4° | 120.0° |
C04 | C03 | C02 | H6 | 120.2° | 119.9° |
C04 | C03 | C02 | H7 | 120.2° | 120.1° |
C04 | C03 | C02 | C01 | 175.1° | NaN° |
C04 | C03 | C02 | H4 | 54.5° | 60.1° |
C04 | C03 | C02 | H5 | 64.4° | 59.9° |
C04 | C03 | H6 | H7 | 119.4° | 120.0° |
C03 | C04 | H8 | H9 | 119.4° | 120.0° |
C03 | C04 | N05 | H24 | 20.0° | 0.1° |
C03 | C02 | C01 | H4 | 120.5° | 119.9° |
C03 | C02 | C01 | H5 | 120.6° | 120.1° |
C03 | C02 | C01 | H1 | 180.0° | 60.1° |
C03 | C02 | C01 | H2 | 60.0° | 180.0° |
C03 | C02 | C01 | H3 | 60.0° | 59.9° |
C03 | C02 | H4 | H5 | 118.4° | 120.0° |
C02 | C03 | H6 | H7 | 119.4° | 120.0° |
C02 | C03 | C04 | H8 | 104.9° | 60.1° |
C02 | C03 | C04 | H9 | 14.7° | 59.9° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.1° |
C01 | C02 | H4 | H5 | 118.4° | 120.0° |
C01 | C02 | C03 | H6 | 64.7° | 60.1° |
C01 | C02 | C03 | H7 | 54.9° | 59.9° |
H1 | C01 | H2 | H3 | 120.0° | 119.9° |
H1 | C01 | C02 | H4 | 59.5° | 180.0° |
H1 | C01 | C02 | H5 | 59.4° | 60.0° |
H2 | C01 | C02 | H4 | 179.5° | 60.0° |
H2 | C01 | C02 | H5 | 60.6° | 59.9° |
H3 | C01 | C02 | H4 | 60.6° | 60.0° |
H3 | C01 | C02 | H5 | 179.4° | 180.0° |
H4 | C02 | C03 | H6 | 174.7° | 180.0° |
H4 | C02 | C03 | H7 | 65.7° | 60.0° |
H5 | C02 | C03 | H6 | 55.8° | 60.0° |
H5 | C02 | C03 | H7 | 175.5° | NaN° |
H6 | C03 | C04 | H8 | 134.9° | NaN° |
H6 | C03 | C04 | H9 | 105.5° | 60.0° |
H7 | C03 | C04 | H8 | 15.3° | 60.0° |
H7 | C03 | C04 | H9 | 134.8° | 180.0° |
H8 | C04 | N05 | H24 | 100.2° | 120.1° |
H9 | C04 | N05 | H24 | 140.3° | 120.0° |
H10 | C07 | C08 | H11 | 0.7° | 0.1° |
H12 | C13 | C14 | H14 | 88.1° | 60.0° |
H12 | C13 | C14 | H15 | 31.8° | 179.9° |
H13 | C13 | C14 | H14 | 152.3° | 180.0° |
H13 | C13 | C14 | H15 | 87.8° | 60.0° |
H14 | C14 | C15 | H16 | 132.5° | 180.0° |
H14 | C14 | C15 | H17 | 108.4° | 60.0° |
H15 | C14 | C15 | H16 | 12.6° | 59.9° |
H15 | C14 | C15 | H17 | 131.7° | 179.9° |
H16 | C15 | C16 | H18 | 59.6° | 180.0° |
H16 | C15 | C16 | H19 | 60.5° | 60.0° |
H16 | C15 | C16 | H20 | 179.5° | 60.1° |
H17 | C15 | C16 | H18 | 59.5° | 60.0° |
H17 | C15 | C16 | H19 | 179.5° | 180.0° |
H17 | C15 | C16 | H20 | 60.5° | 59.9° |
H18 | C16 | H19 | H20 | 120.0° | 120.0° |
H21 | C20 | C21 | H22 | 0.4° | 0.6° |
H22 | C21 | C22 | H23 | 0.0° | 0.7° |