U5U
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S17 | C15 | sing | 0.00Å | 1.66Å | |
S17 | PD1 | sing | 0.00Å | 1.84Å | |
C13 | N16 | sing | 0.00Å | 1.46Å | |
N16 | C12 | sing | 0.00Å | 1.46Å | |
N16 | C15 | sing | 0.00Å | 1.34Å | |
C15 | N12 | doub | 0.00Å | 1.24Å | |
PD1 | N11 | sing | 0.00Å | 1.87Å | |
PD1 | N13 | sing | 0.00Å | 1.84Å | |
N12 | N11 | sing | 0.00Å | 1.41Å | |
N11 | C9 | doub | 0.00Å | 1.37Å | |
N13 | C8 | doub | 0.00Å | 1.36Å | Aromatic |
N13 | C14 | sing | 0.00Å | 1.41Å | Aromatic |
C8 | C7 | sing | 0.00Å | 1.39Å | Aromatic |
C9 | C14 | sing | 0.00Å | 1.50Å | |
C9 | C1 | sing | 0.00Å | 1.53Å | |
C14 | C2 | doub | 0.00Å | 1.40Å | Aromatic |
C4 | C1 | doub | 0.00Å | 1.40Å | Aromatic |
C4 | C5 | sing | 0.00Å | 1.39Å | Aromatic |
C1 | C11 | sing | 0.00Å | 1.40Å | Aromatic |
C5 | C6 | doub | 0.00Å | 1.38Å | Aromatic |
C7 | C3 | doub | 0.00Å | 1.38Å | Aromatic |
C11 | C10 | doub | 0.00Å | 1.38Å | Aromatic |
C2 | C3 | sing | 0.00Å | 1.38Å | Aromatic |
C6 | C10 | sing | 0.00Å | 1.37Å | Aromatic |
C2 | H2 | sing | 0.00Å | 1.08Å | |
C8 | H3 | sing | 0.00Å | 1.08Å | |
C7 | H4 | sing | 0.00Å | 1.08Å | |
C3 | H5 | sing | 0.00Å | 1.08Å | |
C4 | H6 | sing | 0.00Å | 1.08Å | |
C5 | H7 | sing | 0.00Å | 1.08Å | |
C6 | H8 | sing | 0.00Å | 1.08Å | |
C10 | H9 | sing | 0.00Å | 1.08Å | |
C11 | H10 | sing | 0.00Å | 1.08Å | |
C12 | H11 | sing | 0.00Å | 1.10Å | |
C12 | H12 | sing | 0.00Å | 1.10Å | |
C12 | H13 | sing | 0.00Å | 1.10Å | |
C13 | H14 | sing | 0.00Å | 1.10Å | |
C13 | H15 | sing | 0.00Å | 1.10Å | |
C13 | H16 | sing | 0.00Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | S17 | PD1 | 110.4° | 90.0° |
S17 | C15 | N16 | 126.5° | 90.0° |
S17 | C15 | N12 | 111.9° | 90.0° |
S17 | PD1 | N11 | 83.4° | 90.0° |
S17 | PD1 | N13 | 164.5° | 90.0° |
C13 | N16 | C12 | 115.4° | 90.0° |
C13 | N16 | C15 | 121.2° | 90.0° |
N16 | C13 | H14 | 109.5° | 90.0° |
N16 | C13 | H15 | 109.4° | 90.0° |
N16 | C13 | H16 | 109.5° | 90.0° |
C12 | N16 | C15 | 123.4° | 90.0° |
N16 | C12 | H11 | 109.5° | 90.0° |
N16 | C12 | H12 | 109.5° | 90.0° |
N16 | C12 | H13 | 109.5° | 90.0° |
N16 | C15 | N12 | 121.6° | 90.0° |
C15 | N12 | N11 | 114.9° | 90.0° |
N11 | PD1 | N13 | 81.1° | 90.0° |
PD1 | N11 | N12 | 118.5° | 90.0° |
PD1 | N11 | C9 | 121.1° | 90.0° |
PD1 | N13 | C8 | 122.8° | 90.0° |
PD1 | N13 | C14 | 118.4° | 90.0° |
N12 | N11 | C9 | 120.4° | 90.0° |
N11 | C9 | C14 | 107.4° | 90.0° |
N11 | C9 | C1 | 126.7° | 90.0° |
C8 | N13 | C14 | 118.8° | 90.0° |
N13 | C8 | C7 | 122.4° | 90.0° |
N13 | C8 | H3 | 118.8° | 90.0° |
N13 | C14 | C9 | 110.7° | 90.0° |
N13 | C14 | C2 | 119.1° | 90.0° |
C8 | C7 | C3 | 118.9° | 90.0° |
C7 | C8 | H3 | 118.8° | 90.0° |
C8 | C7 | H4 | 120.6° | 90.0° |
C14 | C9 | C1 | 125.8° | 90.0° |
C9 | C14 | C2 | 129.8° | 90.0° |
C9 | C1 | C4 | 122.9° | 90.0° |
C9 | C1 | C11 | 122.4° | 90.0° |
C14 | C2 | C3 | 120.2° | 90.0° |
C14 | C2 | H2 | 119.9° | 90.0° |
C1 | C4 | C5 | 121.8° | 90.0° |
C4 | C1 | C11 | 114.7° | 90.0° |
C1 | C4 | H6 | 119.1° | 90.0° |
C4 | C5 | C6 | 121.7° | 90.0° |
C5 | C4 | H6 | 119.1° | 90.0° |
C4 | C5 | H7 | 119.1° | 90.0° |
C1 | C11 | C10 | 123.6° | 90.0° |
C1 | C11 | H10 | 118.2° | 90.0° |
C5 | C6 | C10 | 117.7° | 90.0° |
C6 | C5 | H7 | 119.2° | 90.0° |
C5 | C6 | H8 | 121.1° | 90.0° |
C7 | C3 | C2 | 120.5° | 90.0° |
C3 | C7 | H4 | 120.6° | 90.0° |
C7 | C3 | H5 | 119.8° | 90.0° |
C11 | C10 | C6 | 120.4° | 90.0° |
C11 | C10 | H9 | 119.8° | 90.0° |
C10 | C11 | H10 | 118.2° | 90.0° |
C3 | C2 | H2 | 119.9° | 90.0° |
C2 | C3 | H5 | 119.7° | 90.0° |
C10 | C6 | H8 | 121.1° | 90.0° |
C6 | C10 | H9 | 119.8° | 90.0° |
H11 | C12 | H12 | 109.4° | 90.0° |
H11 | C12 | H13 | 109.5° | 90.0° |
H12 | C12 | H13 | 109.5° | 90.0° |
H14 | C13 | H15 | 109.5° | 90.0° |
H14 | C13 | H16 | 109.5° | 90.0° |
H15 | C13 | H16 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S17 | C15 | N16 | C13 | 150.5° | 90.0° |
S17 | C15 | N16 | C12 | 31.1° | 90.0° |
S17 | C15 | N16 | N12 | 179.1° | 90.0° |
C15 | S17 | PD1 | N11 | 6.5° | 90.0° |
C15 | S17 | PD1 | N13 | 3.1° | 90.0° |
S17 | C15 | N12 | N11 | 3.7° | 90.0° |
PD1 | S17 | C15 | N16 | 175.8° | 90.0° |
PD1 | S17 | C15 | N12 | 3.4° | 90.0° |
S17 | PD1 | N11 | N13 | 179.1° | 90.0° |
S17 | PD1 | N11 | N12 | 9.5° | 90.0° |
S17 | PD1 | N11 | C9 | 169.6° | 90.0° |
S17 | PD1 | N13 | C8 | 169.6° | 90.0° |
S17 | PD1 | N13 | C14 | 11.2° | 90.0° |
C13 | N16 | C12 | C15 | 178.5° | 90.0° |
C13 | N16 | C15 | N12 | 30.4° | 90.0° |
C13 | N16 | C12 | H11 | 180.0° | 90.0° |
C13 | N16 | C12 | H12 | 60.0° | 90.0° |
C13 | N16 | C12 | H13 | 60.0° | 90.0° |
N16 | C13 | H14 | H15 | 120.0° | 90.0° |
N16 | C13 | H14 | H16 | 120.0° | 90.0° |
N16 | C13 | H15 | H16 | 120.0° | 90.0° |
C12 | N16 | C15 | N12 | 147.9° | 90.0° |
N16 | C12 | H11 | H12 | 120.0° | 90.0° |
N16 | C12 | H11 | H13 | 120.0° | 90.0° |
N16 | C12 | H12 | H13 | 120.0° | 90.0° |
C12 | N16 | C13 | H14 | 180.0° | 90.0° |
C12 | N16 | C13 | H15 | 60.0° | 90.0° |
C12 | N16 | C13 | H16 | 60.0° | 90.0° |
N16 | C15 | N12 | N11 | 177.1° | 90.0° |
C15 | N16 | C12 | H11 | 1.5° | 90.0° |
C15 | N16 | C12 | H12 | 118.5° | 90.0° |
C15 | N16 | C12 | H13 | 121.5° | 90.0° |
C15 | N16 | C13 | H14 | 1.5° | 90.0° |
C15 | N16 | C13 | H15 | 121.5° | 90.0° |
C15 | N16 | C13 | H16 | 118.6° | 90.0° |
C15 | N12 | N11 | PD1 | 9.9° | 90.0° |
C15 | N12 | N11 | C9 | 169.2° | 90.0° |
PD1 | N11 | N12 | C9 | 179.1° | 90.0° |
N11 | PD1 | N13 | C8 | 173.0° | 90.0° |
N11 | PD1 | N13 | C14 | 7.7° | 90.0° |
PD1 | N11 | C9 | C14 | 11.6° | 90.0° |
PD1 | N11 | C9 | C1 | 171.3° | 90.0° |
N13 | PD1 | N11 | N12 | 169.6° | 90.0° |
N13 | PD1 | N11 | C9 | 11.3° | 90.0° |
PD1 | N13 | C8 | C14 | 179.3° | 90.0° |
PD1 | N13 | C8 | C7 | 179.4° | 90.0° |
PD1 | N13 | C14 | C9 | 3.6° | 90.0° |
PD1 | N13 | C14 | C2 | 176.9° | 90.0° |
PD1 | N13 | C8 | H3 | 0.6° | 90.0° |
N12 | N11 | C9 | C14 | 169.4° | 90.0° |
N12 | N11 | C9 | C1 | 7.8° | 90.0° |
N11 | C9 | C14 | N13 | 4.7° | 90.0° |
N11 | C9 | C14 | C1 | 177.2° | 90.0° |
N11 | C9 | C14 | C2 | 167.7° | 90.0° |
N11 | C9 | C1 | C4 | 0.2° | 90.0° |
N11 | C9 | C1 | C11 | 179.3° | 90.0° |
N13 | C8 | C7 | H3 | 180.0° | 90.0° |
C8 | N13 | C14 | C9 | 177.1° | 90.0° |
C8 | N13 | C14 | C2 | 3.8° | 90.0° |
N13 | C8 | C7 | C3 | 0.7° | 90.0° |
N13 | C8 | C7 | H4 | 179.3° | 90.0° |
C14 | N13 | C8 | C7 | 1.3° | 90.0° |
N13 | C14 | C9 | C2 | 172.4° | 90.0° |
N13 | C14 | C9 | C1 | 178.2° | 90.0° |
N13 | C14 | C2 | C3 | 4.2° | 90.0° |
N13 | C14 | C2 | H2 | 175.8° | 90.0° |
C14 | N13 | C8 | H3 | 178.6° | 90.0° |
C8 | C7 | C3 | H4 | 180.0° | 90.0° |
C8 | C7 | C3 | C2 | 0.3° | 90.0° |
C8 | C7 | C3 | H5 | 179.7° | 90.0° |
C14 | C9 | C1 | C4 | 176.9° | 90.0° |
C14 | C9 | C1 | C11 | 4.1° | 90.0° |
C9 | C14 | C2 | C3 | 176.0° | 90.0° |
C9 | C14 | C2 | H2 | 3.9° | 90.0° |
C1 | C9 | C14 | C2 | 9.4° | 90.0° |
C9 | C1 | C4 | C11 | 179.1° | 90.0° |
C9 | C1 | C4 | C5 | 179.3° | 90.0° |
C9 | C1 | C11 | C10 | 179.4° | 90.0° |
C9 | C1 | C4 | H6 | 0.7° | 90.0° |
C9 | C1 | C11 | H10 | 0.6° | 90.0° |
C14 | C2 | C3 | C7 | 2.2° | 90.0° |
C14 | C2 | C3 | H2 | 180.0° | 90.0° |
C14 | C2 | C3 | H5 | 177.8° | 90.0° |
C1 | C4 | C5 | H6 | 180.0° | 90.0° |
C1 | C4 | C5 | C6 | 0.1° | 90.0° |
C4 | C1 | C11 | C10 | 0.2° | 90.0° |
C1 | C4 | C5 | H7 | 180.0° | 90.0° |
C4 | C1 | C11 | H10 | 179.8° | 90.0° |
C5 | C4 | C1 | C11 | 0.1° | 90.0° |
C4 | C5 | C6 | H7 | 180.0° | 90.0° |
C4 | C5 | C6 | C10 | 0.1° | 90.0° |
C4 | C5 | C6 | H8 | 179.9° | 90.0° |
C1 | C11 | C10 | H10 | 180.0° | 90.0° |
C1 | C11 | C10 | C6 | 0.3° | 90.0° |
C11 | C1 | C4 | H6 | 179.9° | 90.0° |
C1 | C11 | C10 | H9 | 179.7° | 90.0° |
C5 | C6 | C10 | C11 | 0.2° | 90.0° |
C5 | C6 | C10 | H8 | 180.0° | 90.0° |
C6 | C5 | C4 | H6 | 179.9° | 90.0° |
C5 | C6 | C10 | H9 | 179.8° | 90.0° |
C7 | C3 | C2 | H5 | 180.0° | 90.0° |
C7 | C3 | C2 | H2 | 177.8° | 90.0° |
C3 | C7 | C8 | H3 | 179.3° | 90.0° |
C11 | C10 | C6 | H9 | 180.0° | 90.0° |
C11 | C10 | C6 | H8 | 179.8° | 90.0° |
C2 | C3 | C7 | H4 | 179.7° | 90.0° |
C10 | C6 | C5 | H7 | 179.9° | 90.0° |
C6 | C10 | C11 | H10 | 179.7° | 90.0° |
H2 | C2 | C3 | H5 | 2.2° | 90.0° |
H3 | C8 | C7 | H4 | 0.7° | 90.0° |
H4 | C7 | C3 | H5 | 0.3° | 90.0° |
H6 | C4 | C5 | H7 | 0.0° | 90.0° |
H7 | C5 | C6 | H8 | 0.1° | 90.0° |
H8 | C6 | C10 | H9 | 0.2° | 90.0° |
H9 | C10 | C11 | H10 | 0.3° | 90.0° |
H11 | C12 | H12 | H13 | 120.0° | 90.0° |
H14 | C13 | H15 | H16 | 120.0° | 90.0° |