RUV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N5 | N4 | sing | 1.29Å | 1.40Å | Aromatic |
N5 | C11 | doub | 1.31Å | 1.31Å | Aromatic |
N4 | C10 | doub | 1.31Å | 1.31Å | Aromatic |
C11 | N3 | sing | 1.35Å | 1.36Å | Aromatic |
C10 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
N3 | N2 | sing | 1.40Å | 1.39Å | |
N2 | C9 | sing | 1.35Å | 1.34Å | |
C9 | O2 | doub | 1.22Å | 1.22Å | |
C9 | C6 | sing | 1.48Å | 1.49Å | |
C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C8 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
C3 | N1 | sing | 1.39Å | 1.42Å | |
N1 | C2 | sing | 1.35Å | 1.36Å | |
C2 | O1 | doub | 1.21Å | 1.23Å | |
C2 | C1 | sing | 1.51Å | 1.50Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C8 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H6 | sing | 1.08Å | 1.08Å | |
C1 | H7 | sing | 1.09Å | 1.10Å | |
C1 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
N2 | H11 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N4 | N5 | C11 | 107.5° | 109.7° |
N5 | N4 | C10 | 107.6° | 109.6° |
N5 | C11 | N3 | 108.6° | 107.3° |
N5 | C11 | H10 | 125.7° | 126.3° |
N4 | C10 | N3 | 108.5° | 107.3° |
N4 | C10 | H6 | 125.7° | 126.3° |
C11 | N3 | C10 | 107.8° | 106.1° |
C11 | N3 | N2 | 126.6° | 127.0° |
N3 | C11 | H10 | 125.7° | 126.4° |
C10 | N3 | N2 | 125.7° | 126.9° |
N3 | C10 | H6 | 125.7° | 126.4° |
N3 | N2 | C9 | 119.6° | 120.0° |
N3 | N2 | H11 | 120.2° | 120.0° |
N2 | C9 | O2 | 121.7° | 120.0° |
N2 | C9 | C6 | 117.3° | 120.0° |
C9 | N2 | H11 | 120.2° | 120.0° |
O2 | C9 | C6 | 121.0° | 120.0° |
C9 | C6 | C5 | 123.0° | 120.1° |
C9 | C6 | C7 | 118.3° | 120.1° |
C5 | C6 | C7 | 118.6° | 119.9° |
C6 | C5 | C4 | 120.8° | 119.9° |
C6 | C5 | H3 | 119.6° | 120.0° |
C6 | C7 | C8 | 121.0° | 119.9° |
C6 | C7 | H4 | 119.5° | 120.1° |
C5 | C4 | C3 | 120.4° | 120.1° |
C5 | C4 | H2 | 119.8° | 120.0° |
C4 | C5 | H3 | 119.6° | 120.0° |
C7 | C8 | C3 | 120.4° | 120.1° |
C8 | C7 | H4 | 119.5° | 120.0° |
C7 | C8 | H5 | 119.8° | 120.0° |
C4 | C3 | C8 | 118.8° | 120.1° |
C4 | C3 | N1 | 118.5° | 119.9° |
C3 | C4 | H2 | 119.8° | 120.0° |
C8 | C3 | N1 | 122.7° | 119.9° |
C3 | C8 | H5 | 119.8° | 119.9° |
C3 | N1 | C2 | 129.1° | 120.0° |
C3 | N1 | H1 | 115.5° | 120.0° |
N1 | C2 | O1 | 123.5° | 120.0° |
N1 | C2 | C1 | 115.6° | 120.0° |
C2 | N1 | H1 | 115.4° | 120.0° |
O1 | C2 | C1 | 120.9° | 120.0° |
C2 | C1 | H7 | 109.5° | 109.5° |
C2 | C1 | H8 | 109.5° | 109.5° |
C2 | C1 | H9 | 109.5° | 109.5° |
H7 | C1 | H8 | 109.5° | 109.5° |
H7 | C1 | H9 | 109.4° | 109.5° |
H8 | C1 | H9 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N4 | N5 | C11 | N3 | 0.5° | 0.2° |
N5 | N4 | C10 | N3 | 0.4° | 0.2° |
N5 | N4 | C10 | H6 | 179.6° | 179.9° |
N4 | N5 | C11 | H10 | 179.5° | 179.9° |
C11 | N5 | N4 | C10 | 0.1° | 0.0° |
N5 | C11 | N3 | H10 | 180.0° | 179.9° |
N5 | C11 | N3 | C10 | 0.7° | 0.3° |
N5 | C11 | N3 | N2 | 179.2° | 179.9° |
N4 | C10 | N3 | C11 | 0.7° | 0.3° |
N4 | C10 | N3 | H6 | 180.0° | 179.9° |
N4 | C10 | N3 | N2 | 179.2° | 179.9° |
C11 | N3 | C10 | N2 | 178.5° | 179.6° |
C11 | N3 | N2 | C9 | 105.0° | 0.4° |
C11 | N3 | C10 | H6 | 179.3° | 179.8° |
C11 | N3 | N2 | H11 | 75.1° | 179.7° |
C10 | N3 | N2 | C9 | 73.3° | 180.0° |
C10 | N3 | C11 | H10 | 179.3° | 179.8° |
C10 | N3 | N2 | H11 | 106.7° | 0.1° |
N3 | N2 | C9 | H11 | 180.0° | 179.9° |
N3 | N2 | C9 | O2 | 2.7° | 0.1° |
N3 | N2 | C9 | C6 | 176.6° | 179.9° |
N2 | N3 | C10 | H6 | 0.8° | 0.2° |
N2 | N3 | C11 | H10 | 0.8° | 0.2° |
N2 | C9 | O2 | C6 | 179.3° | 180.0° |
N2 | C9 | C6 | C5 | 47.9° | 180.0° |
N2 | C9 | C6 | C7 | 133.4° | 0.0° |
O2 | C9 | C6 | C5 | 132.8° | 0.0° |
O2 | C9 | C6 | C7 | 45.9° | 180.0° |
O2 | C9 | N2 | H11 | 177.3° | 180.0° |
C9 | C6 | C5 | C7 | 178.7° | 179.9° |
C9 | C6 | C5 | C4 | 179.5° | 179.9° |
C9 | C6 | C7 | C8 | 179.6° | 180.0° |
C9 | C6 | C5 | H3 | 0.5° | 0.0° |
C9 | C6 | C7 | H4 | 0.4° | 0.0° |
C6 | C9 | N2 | H11 | 3.4° | 0.0° |
C6 | C5 | C4 | H3 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.9° | 0.0° |
C6 | C5 | C4 | C3 | 0.8° | 0.0° |
C6 | C5 | C4 | H2 | 179.2° | 179.7° |
C5 | C6 | C7 | H4 | 179.1° | 180.0° |
C7 | C6 | C5 | C4 | 0.9° | 0.0° |
C6 | C7 | C8 | H4 | 180.0° | 180.0° |
C6 | C7 | C8 | C3 | 0.8° | 0.0° |
C7 | C6 | C5 | H3 | 179.1° | 180.0° |
C6 | C7 | C8 | H5 | 179.2° | 180.0° |
C5 | C4 | C3 | H2 | 180.0° | 179.7° |
C5 | C4 | C3 | C8 | 0.7° | 0.1° |
C5 | C4 | C3 | N1 | 179.9° | 179.7° |
C7 | C8 | C3 | C4 | 0.7° | 0.0° |
C7 | C8 | C3 | H5 | 180.0° | 180.0° |
C7 | C8 | C3 | N1 | 179.9° | 179.7° |
C4 | C3 | C8 | N1 | 179.2° | 179.8° |
C4 | C3 | N1 | C2 | 166.3° | 35.1° |
C4 | C3 | N1 | H1 | 13.7° | 144.6° |
C3 | C4 | C5 | H3 | 179.2° | 180.0° |
C4 | C3 | C8 | H5 | 179.3° | 180.0° |
C8 | C3 | N1 | C2 | 14.5° | 145.1° |
C8 | C3 | N1 | H1 | 165.5° | 35.2° |
C8 | C3 | C4 | H2 | 179.3° | 179.8° |
C3 | C8 | C7 | H4 | 179.2° | 180.0° |
C3 | N1 | C2 | H1 | 180.0° | 179.7° |
C3 | N1 | C2 | O1 | 19.3° | 4.3° |
C3 | N1 | C2 | C1 | 160.8° | 175.7° |
N1 | C3 | C4 | H2 | 0.1° | 0.0° |
N1 | C3 | C8 | H5 | 0.1° | 0.3° |
N1 | C2 | O1 | C1 | 179.9° | 180.0° |
N1 | C2 | C1 | H7 | 179.9° | 0.0° |
N1 | C2 | C1 | H8 | 60.1° | 120.0° |
N1 | C2 | C1 | H9 | 59.9° | 120.0° |
O1 | C2 | N1 | H1 | 160.7° | 175.4° |
O1 | C2 | C1 | H7 | 0.0° | 180.0° |
O1 | C2 | C1 | H8 | 120.0° | 59.9° |
O1 | C2 | C1 | H9 | 120.0° | 60.0° |
C1 | C2 | N1 | H1 | 19.2° | 4.6° |
C2 | C1 | H7 | H8 | 120.0° | 120.1° |
C2 | C1 | H7 | H9 | 120.0° | 120.0° |
C2 | C1 | H8 | H9 | 120.0° | 119.9° |
H2 | C4 | C5 | H3 | 0.8° | 0.3° |
H4 | C7 | C8 | H5 | 0.8° | 0.0° |
H7 | C1 | H8 | H9 | 120.0° | 120.0° |