6DF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C12 | doub | 0.00Å | 1.41Å | Aromatic |
C13 | C14 | sing | 0.00Å | 1.39Å | Aromatic |
C12 | C11 | sing | 0.00Å | 1.40Å | Aromatic |
C14 | C9 | doub | 0.00Å | 1.40Å | Aromatic |
C9 | C10 | sing | 0.00Å | 1.40Å | Aromatic |
C9 | C7 | sing | 0.00Å | 1.49Å | |
C11 | C10 | doub | 0.00Å | 1.40Å | Aromatic |
C8 | C7 | sing | 0.00Å | 1.51Å | |
C7 | N2 | sing | 0.00Å | 1.48Å | |
N2 | C4' | doub | 0.00Å | 1.28Å | |
O2P | P | doub | 0.00Å | 1.54Å | |
C4' | C4 | sing | 0.00Å | 1.50Å | |
O3 | C3 | sing | 0.00Å | 1.37Å | |
P | O3P | sing | 0.00Å | 1.53Å | |
P | O1P | sing | 0.00Å | 1.49Å | |
P | O4P | sing | 0.00Å | 1.60Å | |
C4 | C3 | doub | 0.00Å | 1.40Å | Aromatic |
C4 | C5 | sing | 0.00Å | 1.40Å | Aromatic |
C5' | O4P | sing | 0.00Å | 1.44Å | |
C5' | C5 | sing | 0.00Å | 1.54Å | |
C3 | C2 | sing | 0.00Å | 1.39Å | Aromatic |
C5 | C6 | doub | 0.00Å | 1.38Å | Aromatic |
C2 | C2' | sing | 0.00Å | 1.52Å | |
C2 | N1 | doub | 0.00Å | 1.35Å | Aromatic |
C6 | N1 | sing | 0.00Å | 1.35Å | Aromatic |
C6 | H1 | sing | 0.00Å | 1.08Å | |
C7 | H2 | sing | 0.00Å | 1.10Å | |
C8 | H3 | sing | 0.00Å | 1.10Å | |
C8 | H4 | sing | 0.00Å | 1.10Å | |
C8 | H5 | sing | 0.00Å | 1.10Å | |
C10 | H6 | sing | 0.00Å | 1.08Å | |
C11 | H7 | sing | 0.00Å | 1.08Å | |
C12 | H8 | sing | 0.00Å | 1.08Å | |
C13 | H9 | sing | 0.00Å | 1.08Å | |
O3P | H10 | sing | 0.00Å | 0.95Å | |
O1P | H11 | sing | 0.00Å | 0.95Å | |
C5' | H12 | sing | 0.00Å | 1.10Å | |
C5' | H13 | sing | 0.00Å | 1.10Å | |
C2' | H14 | sing | 0.00Å | 1.10Å | |
C2' | H15 | sing | 0.00Å | 1.10Å | |
C2' | H16 | sing | 0.00Å | 1.10Å | |
O3 | H17 | sing | 0.00Å | 0.95Å | |
C4' | H18 | sing | 0.00Å | 1.08Å | |
C14 | H19 | sing | 0.00Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C13 | C14 | 119.8° | 90.0° |
C13 | C12 | C11 | 120.4° | 90.0° |
C13 | C12 | H8 | 119.8° | 90.0° |
C12 | C13 | H9 | 120.1° | 90.0° |
C13 | C14 | C9 | 119.7° | 90.0° |
C14 | C13 | H9 | 120.1° | 90.0° |
C13 | C14 | H19 | 120.1° | 90.0° |
C12 | C11 | C10 | 119.4° | 90.0° |
C12 | C11 | H7 | 120.3° | 90.0° |
C11 | C12 | H8 | 119.8° | 90.0° |
C14 | C9 | C10 | 120.7° | 90.0° |
C14 | C9 | C7 | 118.2° | 90.0° |
C9 | C14 | H19 | 120.1° | 90.0° |
C10 | C9 | C7 | 121.1° | 90.0° |
C9 | C10 | C11 | 119.9° | 90.0° |
C9 | C10 | H6 | 120.0° | 90.0° |
C9 | C7 | C8 | 113.9° | 90.0° |
C9 | C7 | N2 | 114.6° | 90.0° |
C9 | C7 | H2 | 103.3° | 90.0° |
C11 | C10 | H6 | 120.0° | 90.0° |
C10 | C11 | H7 | 120.3° | 90.0° |
C8 | C7 | N2 | 116.2° | 90.0° |
C8 | C7 | H2 | 103.1° | 90.0° |
C7 | C8 | H3 | 109.5° | 90.0° |
C7 | C8 | H4 | 109.5° | 90.0° |
C7 | C8 | H5 | 109.5° | 90.0° |
C7 | N2 | C4' | 130.2° | 90.0° |
N2 | C7 | H2 | 103.4° | 90.0° |
N2 | C4' | C4 | 119.1° | 90.0° |
N2 | C4' | H18 | 120.5° | 90.0° |
O2P | P | O3P | 107.7° | 90.0° |
O2P | P | O1P | 111.3° | 90.0° |
O2P | P | O4P | 107.5° | 90.0° |
C4' | C4 | C3 | 121.8° | 90.0° |
C4' | C4 | C5 | 119.5° | 90.0° |
C4 | C4' | H18 | 120.4° | 90.0° |
O3 | C3 | C4 | 119.8° | 90.0° |
O3 | C3 | C2 | 119.8° | 90.0° |
C3 | O3 | H17 | 109.5° | 90.0° |
O3P | P | O1P | 113.7° | 90.0° |
O3P | P | O4P | 107.4° | 90.0° |
P | O3P | H10 | 109.5° | 90.0° |
O1P | P | O4P | 109.0° | 90.0° |
P | O1P | H11 | 109.5° | 90.0° |
P | O4P | C5' | 122.8° | 90.0° |
C3 | C4 | C5 | 118.6° | 90.0° |
C4 | C3 | C2 | 120.5° | 90.0° |
C4 | C5 | C5' | 123.2° | 90.0° |
C4 | C5 | C6 | 118.9° | 90.0° |
O4P | C5' | C5 | 109.9° | 90.0° |
O4P | C5' | H12 | 109.4° | 90.0° |
O4P | C5' | H13 | 109.4° | 90.0° |
C5' | C5 | C6 | 117.9° | 90.0° |
C5 | C5' | H12 | 109.4° | 90.0° |
C5 | C5' | H13 | 109.4° | 90.0° |
C3 | C2 | C2' | 121.7° | 90.0° |
C3 | C2 | N1 | 119.0° | 90.0° |
C5 | C6 | N1 | 120.9° | 90.0° |
C5 | C6 | H1 | 119.6° | 90.0° |
C2' | C2 | N1 | 119.3° | 90.0° |
C2 | C2' | H14 | 109.5° | 90.0° |
C2 | C2' | H15 | 109.5° | 90.0° |
C2 | C2' | H16 | 109.5° | 90.0° |
C2 | N1 | C6 | 122.1° | 90.0° |
N1 | C6 | H1 | 119.5° | 90.0° |
H3 | C8 | H4 | 109.5° | 90.0° |
H3 | C8 | H5 | 109.4° | 90.0° |
H4 | C8 | H5 | 109.5° | 90.0° |
H12 | C5' | H13 | 109.5° | 90.0° |
H14 | C2' | H15 | 109.5° | 90.0° |
H14 | C2' | H16 | 109.4° | 90.0° |
H15 | C2' | H16 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C13 | C14 | H9 | 180.0° | 90.0° |
C13 | C12 | C11 | H8 | 180.0° | 90.0° |
C12 | C13 | C14 | C9 | 0.1° | 90.0° |
C13 | C12 | C11 | C10 | 0.8° | 90.0° |
C13 | C12 | C11 | H7 | 179.3° | 90.0° |
C12 | C13 | C14 | H19 | 179.9° | 90.0° |
C14 | C13 | C12 | C11 | 0.6° | 90.0° |
C13 | C14 | C9 | H19 | 180.0° | 90.0° |
C13 | C14 | C9 | C10 | 0.6° | 90.0° |
C13 | C14 | C9 | C7 | 179.7° | 90.0° |
C14 | C13 | C12 | H8 | 179.4° | 90.0° |
C12 | C11 | C10 | C9 | 0.2° | 90.0° |
C12 | C11 | C10 | H7 | 180.0° | 90.0° |
C12 | C11 | C10 | H6 | 179.7° | 90.0° |
C11 | C12 | C13 | H9 | 179.4° | 90.0° |
C14 | C9 | C10 | C7 | 179.6° | 90.0° |
C14 | C9 | C10 | C11 | 0.4° | 90.0° |
C14 | C9 | C7 | C8 | 82.5° | 90.0° |
C14 | C9 | C7 | N2 | 140.3° | 90.0° |
C14 | C9 | C7 | H2 | 28.6° | 90.0° |
C14 | C9 | C10 | H6 | 179.6° | 90.0° |
C9 | C14 | C13 | H9 | 179.9° | 90.0° |
C9 | C10 | C11 | H6 | 180.0° | 90.0° |
C10 | C9 | C7 | C8 | 97.9° | 90.0° |
C10 | C9 | C7 | N2 | 39.3° | 90.0° |
C10 | C9 | C7 | H2 | 151.0° | 90.0° |
C9 | C10 | C11 | H7 | 179.8° | 90.0° |
C10 | C9 | C14 | H19 | 179.4° | 90.0° |
C7 | C9 | C10 | C11 | 179.9° | 90.0° |
C9 | C7 | C8 | N2 | 136.5° | 90.0° |
C9 | C7 | C8 | H2 | 111.2° | 90.0° |
C9 | C7 | N2 | H2 | 111.7° | 90.0° |
C9 | C7 | N2 | C4' | 157.2° | 90.0° |
C9 | C7 | C8 | H3 | 180.0° | 90.0° |
C9 | C7 | C8 | H4 | 60.0° | 90.0° |
C9 | C7 | C8 | H5 | 60.0° | 90.0° |
C7 | C9 | C10 | H6 | 0.1° | 90.0° |
C7 | C9 | C14 | H19 | 0.3° | 90.0° |
C10 | C11 | C12 | H8 | 179.3° | 90.0° |
C8 | C7 | N2 | H2 | 112.1° | 90.0° |
C8 | C7 | N2 | C4' | 21.0° | 90.0° |
C7 | C8 | H3 | H4 | 120.0° | 90.0° |
C7 | C8 | H3 | H5 | 120.0° | 90.0° |
C7 | C8 | H4 | H5 | 120.0° | 90.0° |
C7 | N2 | C4' | C4 | 171.6° | 90.0° |
N2 | C7 | C8 | H3 | 43.5° | 90.0° |
N2 | C7 | C8 | H4 | 163.6° | 90.0° |
N2 | C7 | C8 | H5 | 76.5° | 90.0° |
C7 | N2 | C4' | H18 | 8.3° | 90.0° |
N2 | C4' | C4 | H18 | 180.0° | 90.0° |
N2 | C4' | C4 | C3 | 30.2° | 90.0° |
N2 | C4' | C4 | C5 | 145.1° | 90.0° |
C4' | N2 | C7 | H2 | 91.1° | 90.0° |
O2P | P | O3P | O1P | 123.8° | 90.0° |
O2P | P | O3P | O4P | 115.5° | 90.0° |
O2P | P | O1P | O4P | 118.4° | 90.0° |
O2P | P | O4P | C5' | 68.9° | 90.0° |
O2P | P | O3P | H10 | 0.0° | 90.0° |
O2P | P | O1P | H11 | 0.0° | 90.0° |
C4' | C4 | C3 | O3 | 3.4° | 90.0° |
C4' | C4 | C3 | C5 | 175.3° | 90.0° |
C4' | C4 | C5 | C5' | 3.2° | 90.0° |
C4' | C4 | C3 | C2 | 176.9° | 90.0° |
C4' | C4 | C5 | C6 | 176.4° | 90.0° |
O3 | C3 | C4 | C2 | 179.8° | 90.0° |
O3 | C3 | C4 | C5 | 178.7° | 90.0° |
O3 | C3 | C2 | C2' | 1.3° | 90.0° |
O3 | C3 | C2 | N1 | 178.6° | 90.0° |
O3P | P | O1P | O4P | 119.8° | 90.0° |
O3P | P | O4P | C5' | 46.7° | 90.0° |
O3P | P | O1P | H11 | 121.8° | 90.0° |
O1P | P | O4P | C5' | 170.3° | 90.0° |
O1P | P | O3P | H10 | 123.8° | 90.0° |
P | O4P | C5' | C5 | 156.3° | 90.0° |
O4P | P | O3P | H10 | 115.5° | 90.0° |
O4P | P | O1P | H11 | 118.4° | 90.0° |
P | O4P | C5' | H12 | 36.2° | 90.0° |
P | O4P | C5' | H13 | 83.6° | 90.0° |
C3 | C4 | C5 | C5' | 178.6° | 90.0° |
C3 | C4 | C5 | C6 | 1.0° | 90.0° |
C4 | C3 | C2 | C2' | 178.4° | 90.0° |
C4 | C3 | C2 | N1 | 1.7° | 90.0° |
C4 | C3 | O3 | H17 | 180.0° | 90.0° |
C3 | C4 | C4' | H18 | 149.9° | 90.0° |
C4 | C5 | C5' | O4P | 72.5° | 90.0° |
C4 | C5 | C5' | C6 | 179.6° | 90.0° |
C5 | C4 | C3 | C2 | 1.5° | 90.0° |
C4 | C5 | C6 | N1 | 0.5° | 90.0° |
C4 | C5 | C6 | H1 | 179.5° | 90.0° |
C4 | C5 | C5' | H12 | 47.5° | 90.0° |
C4 | C5 | C5' | H13 | 167.4° | 90.0° |
C5 | C4 | C4' | H18 | 34.8° | 90.0° |
O4P | C5' | C5 | H12 | 120.0° | 90.0° |
O4P | C5' | C5 | H13 | 120.1° | 90.0° |
O4P | C5' | C5 | C6 | 107.9° | 90.0° |
O4P | C5' | H12 | H13 | 119.8° | 90.0° |
C5' | C5 | C6 | N1 | 179.1° | 90.0° |
C5' | C5 | C6 | H1 | 0.9° | 90.0° |
C5 | C5' | H12 | H13 | 119.8° | 90.0° |
C3 | C2 | C2' | N1 | 179.9° | 90.0° |
C3 | C2 | N1 | C6 | 1.2° | 90.0° |
C3 | C2 | C2' | H14 | 179.9° | 90.0° |
C3 | C2 | C2' | H15 | 60.1° | 90.0° |
C3 | C2 | C2' | H16 | 59.9° | 90.0° |
C2 | C3 | O3 | H17 | 0.2° | 90.0° |
C5 | C6 | N1 | C2 | 0.7° | 90.0° |
C5 | C6 | N1 | H1 | 180.0° | 90.0° |
C6 | C5 | C5' | H12 | 132.1° | 90.0° |
C6 | C5 | C5' | H13 | 12.2° | 90.0° |
C2' | C2 | N1 | C6 | 178.9° | 90.0° |
C2 | C2' | H14 | H15 | 120.0° | 90.0° |
C2 | C2' | H14 | H16 | 120.0° | 90.0° |
C2 | C2' | H15 | H16 | 120.0° | 90.0° |
C2 | N1 | C6 | H1 | 179.3° | 90.0° |
N1 | C2 | C2' | H14 | 0.0° | 90.0° |
N1 | C2 | C2' | H15 | 120.0° | 90.0° |
N1 | C2 | C2' | H16 | 120.0° | 90.0° |
H2 | C7 | C8 | H3 | 68.7° | 90.0° |
H2 | C7 | C8 | H4 | 51.3° | 90.0° |
H2 | C7 | C8 | H5 | 171.3° | 90.0° |
H3 | C8 | H4 | H5 | 120.0° | 90.0° |
H6 | C10 | C11 | H7 | 0.3° | 90.0° |
H7 | C11 | C12 | H8 | 0.7° | 90.0° |
H8 | C12 | C13 | H9 | 0.6° | 90.0° |
H9 | C13 | C14 | H19 | 0.1° | 90.0° |
H14 | C2' | H15 | H16 | 120.0° | 90.0° |