DAP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
N1 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C2 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
C2 | C1' | sing | 1.48Å | 1.49Å | Aromatic |
C3 | C9 | sing | 1.42Å | 1.45Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.36Å | 1.38Å | Aromatic |
C4 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C6 | C10 | sing | 1.48Å | 1.47Å | |
C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C8 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
C10 | N2 | doub | 1.30Å | 1.31Å | |
C10 | N3 | sing | 1.38Å | 1.31Å | |
N2 | HN2 | sing | 0.97Å | 1.02Å | |
N3 | HN31 | sing | 0.97Å | 1.02Å | |
N3 | HN32 | sing | 0.97Å | 1.02Å | |
C1' | C2' | doub | 1.40Å | 1.38Å | Aromatic |
C1' | C6' | sing | 1.40Å | 1.40Å | Aromatic |
C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
C2' | H2' | sing | 1.08Å | 1.10Å | |
C3' | C4' | doub | 1.40Å | 1.39Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | C5' | sing | 1.40Å | 1.36Å | Aromatic |
C4' | C11 | sing | 1.48Å | 1.48Å | |
C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
C5' | H5' | sing | 1.08Å | 1.10Å | |
C6' | H6' | sing | 1.08Å | 1.10Å | |
C11 | N4 | doub | 1.30Å | 1.32Å | |
C11 | N5 | sing | 1.38Å | 1.32Å | |
N4 | HN4 | sing | 0.97Å | 1.02Å | |
N5 | HN51 | sing | 0.97Å | 1.02Å | |
N5 | HN52 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C8 | 109.1° | 108.8° |
C2 | N1 | HN1 | 125.2° | 125.6° |
N1 | C2 | C3 | 109.2° | 109.3° |
N1 | C2 | C1' | 119.9° | 125.4° |
C8 | N1 | HN1 | 125.7° | 125.6° |
N1 | C8 | C7 | 126.2° | 133.1° |
N1 | C8 | C9 | 108.4° | 107.3° |
C3 | C2 | C1' | 129.5° | 125.3° |
C2 | C3 | C9 | 106.3° | 107.8° |
C2 | C3 | H3 | 125.3° | 126.1° |
C2 | C1' | C2' | 121.8° | 120.0° |
C2 | C1' | C6' | 118.6° | 120.0° |
C9 | C3 | H3 | 128.4° | 126.1° |
C3 | C9 | C4 | 134.8° | 133.3° |
C3 | C9 | C8 | 106.9° | 106.8° |
C5 | C4 | C9 | 117.8° | 120.0° |
C5 | C4 | H4 | 120.2° | 120.0° |
C4 | C5 | C6 | 122.4° | 120.5° |
C4 | C5 | H5 | 118.1° | 119.8° |
C9 | C4 | H4 | 122.0° | 120.0° |
C4 | C9 | C8 | 118.4° | 119.9° |
C6 | C5 | H5 | 119.5° | 119.8° |
C5 | C6 | C7 | 122.0° | 120.3° |
C5 | C6 | C10 | 120.3° | 119.8° |
C7 | C6 | C10 | 117.6° | 119.8° |
C6 | C7 | C8 | 113.9° | 119.7° |
C6 | C7 | H7 | 122.8° | 120.1° |
C6 | C10 | N2 | 120.8° | 120.0° |
C6 | C10 | N3 | 119.3° | 120.0° |
C8 | C7 | H7 | 123.3° | 120.2° |
C7 | C8 | C9 | 125.4° | 119.6° |
N2 | C10 | N3 | 119.9° | 119.9° |
C10 | N2 | HN2 | 113.6° | 120.0° |
C10 | N3 | HN31 | 119.3° | 120.1° |
C10 | N3 | HN32 | 108.6° | 120.0° |
HN31 | N3 | HN32 | 108.7° | 119.9° |
C2' | C1' | C6' | 119.6° | 120.0° |
C1' | C2' | C3' | 121.6° | 120.0° |
C1' | C2' | H2' | 118.9° | 120.0° |
C1' | C6' | C5' | 118.2° | 119.9° |
C1' | C6' | H6' | 121.2° | 120.1° |
C3' | C2' | H2' | 119.5° | 120.0° |
C2' | C3' | C4' | 117.8° | 120.0° |
C2' | C3' | H3' | 121.3° | 120.0° |
C4' | C3' | H3' | 120.9° | 120.0° |
C3' | C4' | C5' | 121.3° | 120.0° |
C3' | C4' | C11 | 118.1° | 120.0° |
C5' | C4' | C11 | 120.6° | 120.0° |
C4' | C5' | C6' | 121.5° | 120.0° |
C4' | C5' | H5' | 118.0° | 120.0° |
C4' | C11 | N4 | 119.2° | 120.0° |
C4' | C11 | N5 | 118.5° | 120.0° |
C6' | C5' | H5' | 120.4° | 120.0° |
C5' | C6' | H6' | 120.6° | 120.0° |
N4 | C11 | N5 | 122.3° | 120.0° |
C11 | N4 | HN4 | 78.7° | 120.0° |
C11 | N5 | HN51 | 118.5° | 120.0° |
C11 | N5 | HN52 | 109.0° | 120.0° |
HN51 | N5 | HN52 | 108.9° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C8 | HN1 | 179.9° | 179.9° |
N1 | C2 | C3 | C1' | 166.6° | 179.7° |
N1 | C2 | C3 | C9 | 2.9° | 0.5° |
N1 | C2 | C3 | H3 | 177.1° | 179.7° |
C2 | N1 | C8 | C7 | 178.6° | 180.0° |
C2 | N1 | C8 | C9 | 1.1° | 0.0° |
N1 | C2 | C1' | C2' | 163.5° | 140.4° |
N1 | C2 | C1' | C6' | 16.1° | 39.7° |
C8 | N1 | C2 | C3 | 2.5° | 0.3° |
C8 | N1 | C2 | C1' | 170.6° | 180.0° |
N1 | C8 | C9 | C3 | 0.7° | 0.2° |
N1 | C8 | C9 | C4 | 180.0° | 180.0° |
N1 | C8 | C7 | C6 | 178.0° | 180.0° |
N1 | C8 | C7 | C9 | 179.6° | 180.0° |
N1 | C8 | C7 | H7 | 1.9° | 0.1° |
HN1 | N1 | C2 | C3 | 177.5° | 179.7° |
HN1 | N1 | C2 | C1' | 9.5° | 0.0° |
HN1 | N1 | C8 | C7 | 1.4° | 0.0° |
HN1 | N1 | C8 | C9 | 179.0° | 180.0° |
C2 | C3 | C9 | H3 | 180.0° | 179.9° |
C2 | C3 | C9 | C4 | 178.7° | 179.9° |
C2 | C3 | C9 | C8 | 2.2° | 0.4° |
C3 | C2 | C1' | C2' | 31.2° | 40.0° |
C3 | C2 | C1' | C6' | 149.2° | 139.9° |
C1' | C2 | C3 | C9 | 169.4° | 179.8° |
C1' | C2 | C3 | H3 | 10.6° | 0.0° |
C2 | C1' | C2' | C6' | 179.6° | 179.9° |
C2 | C1' | C2' | C3' | 180.0° | 180.0° |
C2 | C1' | C2' | H2' | 0.1° | 0.1° |
C2 | C1' | C6' | C5' | 179.3° | 179.8° |
C2 | C1' | C6' | H6' | 0.7° | 0.0° |
C3 | C9 | C4 | C5 | 178.7° | 179.6° |
C3 | C9 | C4 | C8 | 179.1° | 179.7° |
C3 | C9 | C4 | H4 | 1.2° | 0.4° |
C3 | C9 | C8 | C7 | 179.6° | 179.7° |
H3 | C3 | C9 | C4 | 1.3° | 0.0° |
H3 | C3 | C9 | C8 | 177.8° | 179.7° |
C5 | C4 | C9 | H4 | 180.0° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 0.2° | 0.0° |
C4 | C5 | C6 | C10 | 179.4° | 179.9° |
C5 | C4 | C9 | C8 | 2.2° | 0.0° |
C9 | C4 | C5 | C6 | 2.2° | 0.1° |
C9 | C4 | C5 | H5 | 177.8° | 180.0° |
C4 | C9 | C8 | C7 | 0.3° | 0.0° |
H4 | C4 | C5 | C6 | 177.8° | 179.9° |
H4 | C4 | C5 | H5 | 2.2° | 0.0° |
H4 | C4 | C9 | C8 | 177.8° | 180.0° |
C5 | C6 | C7 | C10 | 179.6° | 180.0° |
C5 | C6 | C7 | C8 | 1.6° | 0.0° |
C5 | C6 | C7 | H7 | 178.4° | 180.0° |
C5 | C6 | C10 | N2 | 22.7° | 180.0° |
C5 | C6 | C10 | N3 | 158.6° | 0.0° |
H5 | C5 | C6 | C7 | 179.8° | 179.9° |
H5 | C5 | C6 | C10 | 0.6° | 0.0° |
C6 | C7 | C8 | H7 | 179.9° | 180.0° |
C6 | C7 | C8 | C9 | 1.6° | 0.0° |
C7 | C6 | C10 | N2 | 156.9° | 0.0° |
C7 | C6 | C10 | N3 | 21.8° | 180.0° |
C10 | C6 | C7 | C8 | 178.7° | 180.0° |
C10 | C6 | C7 | H7 | 1.2° | 0.0° |
C6 | C10 | N2 | N3 | 178.7° | 180.0° |
C6 | C10 | N2 | HN2 | 129.0° | 180.0° |
C6 | C10 | N3 | HN31 | 179.9° | 180.0° |
C6 | C10 | N3 | HN32 | 54.7° | 0.0° |
H7 | C7 | C8 | C9 | 178.5° | 180.0° |
N2 | C10 | N3 | HN31 | 1.4° | 0.0° |
N2 | C10 | N3 | HN32 | 126.6° | 180.0° |
N3 | C10 | N2 | HN2 | 49.7° | 0.1° |
C10 | N3 | HN31 | HN32 | 125.2° | 180.0° |
C1' | C2' | C3' | H2' | 180.0° | 179.9° |
C1' | C2' | C3' | C4' | 0.4° | 0.1° |
C1' | C2' | C3' | H3' | 179.5° | 179.9° |
C2' | C1' | C6' | C5' | 1.1° | 0.3° |
C2' | C1' | C6' | H6' | 178.9° | 179.9° |
C6' | C1' | C2' | C3' | 0.4° | 0.1° |
C6' | C1' | C2' | H2' | 179.5° | 180.0° |
C1' | C6' | C5' | C4' | 0.9° | 0.6° |
C1' | C6' | C5' | H6' | 180.0° | 179.8° |
C1' | C6' | C5' | H5' | 179.1° | 179.9° |
C2' | C3' | C4' | H3' | 179.9° | 180.0° |
C2' | C3' | C4' | C5' | 0.7° | 0.4° |
C2' | C3' | C4' | C11 | 179.7° | 180.0° |
H2' | C2' | C3' | C4' | 179.6° | 180.0° |
H2' | C2' | C3' | H3' | 0.5° | 0.0° |
C3' | C4' | C5' | C11 | 179.0° | 179.7° |
C3' | C4' | C5' | C6' | 0.0° | 0.6° |
C3' | C4' | C5' | H5' | 180.0° | 179.9° |
C3' | C4' | C11 | N4 | 164.8° | 0.0° |
C3' | C4' | C11 | N5 | 13.9° | 179.9° |
H3' | C3' | C4' | C5' | 179.3° | 179.6° |
H3' | C3' | C4' | C11 | 0.2° | 0.0° |
C4' | C5' | C6' | H5' | 180.0° | 179.5° |
C4' | C5' | C6' | H6' | 179.1° | 179.6° |
C5' | C4' | C11 | N4 | 16.1° | 179.6° |
C5' | C4' | C11 | N5 | 165.1° | 0.2° |
C11 | C4' | C5' | C6' | 179.0° | 179.7° |
C11 | C4' | C5' | H5' | 0.9° | 0.2° |
C4' | C11 | N4 | N5 | 178.7° | 179.9° |
C4' | C11 | N4 | HN4 | 96.7° | 0.1° |
C4' | C11 | N5 | HN51 | 179.9° | 180.0° |
C4' | C11 | N5 | HN52 | 54.8° | 0.4° |
H5' | C5' | C6' | H6' | 0.9° | 0.2° |
N4 | C11 | N5 | HN51 | 1.3° | 0.1° |
N4 | C11 | N5 | HN52 | 126.5° | 179.8° |
N5 | C11 | N4 | HN4 | 84.6° | 180.0° |
C11 | N5 | HN51 | HN52 | 125.2° | 179.6° |