4UD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | N1 | doub | 1.28Å | 1.29Å | |
C3 | C5 | sing | 1.52Å | 1.49Å | |
N1 | O2 | sing | 1.41Å | 1.34Å | |
C5 | C4 | sing | 1.55Å | 1.52Å | |
O2 | C4 | sing | 1.44Å | 1.43Å | |
C4 | C6 | sing | 1.53Å | 1.54Å | |
C6 | C8 | sing | 1.51Å | 1.51Å | |
C6 | N7 | sing | 1.47Å | 1.47Å | |
O10 | C8 | doub | 1.21Å | 1.35Å | |
C8 | O9 | sing | 1.34Å | 1.21Å | |
C3 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
O9 | H7 | sing | 0.97Å | 0.95Å | |
N7 | H8 | sing | 1.01Å | 1.00Å | |
N7 | H9 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C3 | C5 | 110.3° | 108.5° |
C3 | N1 | O2 | 113.5° | 113.2° |
N1 | C3 | H1 | 124.9° | 125.7° |
C3 | C5 | C4 | 95.2° | 102.4° |
C5 | C3 | H1 | 124.9° | 125.8° |
C3 | C5 | H4 | 112.9° | 110.8° |
C3 | C5 | H5 | 112.9° | 110.8° |
N1 | O2 | C4 | 102.3° | 107.5° |
C5 | C4 | O2 | 105.6° | 101.6° |
C5 | C4 | C6 | 115.6° | 111.0° |
C5 | C4 | H3 | 109.0° | 111.0° |
C4 | C5 | H4 | 112.9° | 110.8° |
C4 | C5 | H5 | 112.9° | 110.8° |
O2 | C4 | C6 | 107.5° | 111.0° |
O2 | C4 | H3 | 110.3° | 111.1° |
C4 | C6 | C8 | 106.5° | 109.4° |
C4 | C6 | N7 | 110.7° | 109.5° |
C6 | C4 | H3 | 108.8° | 110.9° |
C4 | C6 | H6 | 110.0° | 109.4° |
C8 | C6 | N7 | 108.3° | 109.5° |
C6 | C8 | O10 | 120.3° | 120.0° |
C6 | C8 | O9 | 121.1° | 120.0° |
C8 | C6 | H6 | 110.3° | 109.5° |
N7 | C6 | H6 | 110.9° | 109.5° |
C6 | N7 | H8 | 109.5° | 111.0° |
C6 | N7 | H9 | 109.5° | 111.0° |
O10 | C8 | O9 | 118.6° | 120.0° |
C8 | O9 | H7 | 109.5° | 117.0° |
H4 | C5 | H5 | 109.5° | 110.9° |
H8 | N7 | H9 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C3 | C5 | H1 | 180.0° | 179.7° |
N1 | C3 | C5 | C4 | 20.6° | 15.3° |
C3 | N1 | O2 | C4 | 22.4° | 17.4° |
N1 | C3 | C5 | H4 | 138.2° | 133.5° |
N1 | C3 | C5 | H5 | 96.9° | 102.9° |
C5 | C3 | N1 | O2 | 0.0° | 0.3° |
C3 | C5 | C4 | H4 | 117.6° | 118.2° |
C3 | C5 | C4 | H5 | 117.6° | 118.3° |
C3 | C5 | C4 | O2 | 33.2° | 24.0° |
C3 | C5 | C4 | C6 | 151.9° | 142.0° |
C3 | C5 | C4 | H3 | 85.3° | 94.2° |
C3 | C5 | H4 | H5 | 126.7° | 123.5° |
N1 | O2 | C4 | C5 | 35.4° | 25.2° |
N1 | O2 | C4 | C6 | 159.3° | 143.2° |
O2 | N1 | C3 | H1 | 180.0° | 179.4° |
N1 | O2 | C4 | H3 | 82.2° | 93.0° |
C5 | C4 | O2 | C6 | 124.0° | 118.0° |
C5 | C4 | O2 | H3 | 117.6° | 118.1° |
C5 | C4 | C6 | H3 | 122.9° | 123.9° |
C5 | C4 | C6 | C8 | 176.2° | 176.8° |
C5 | C4 | C6 | N7 | 58.7° | 63.2° |
C4 | C5 | C3 | H1 | 159.4° | 165.0° |
C4 | C5 | H4 | H5 | 126.7° | 123.5° |
C5 | C4 | C6 | H6 | 64.2° | 56.8° |
O2 | C4 | C6 | H3 | 119.4° | 124.0° |
O2 | C4 | C6 | C8 | 66.1° | 64.6° |
O2 | C4 | C6 | N7 | 176.4° | 175.4° |
O2 | C4 | C5 | H4 | 150.8° | 142.2° |
O2 | C4 | C5 | H5 | 84.4° | 94.3° |
O2 | C4 | C6 | H6 | 53.5° | 55.3° |
C4 | C6 | C8 | N7 | 119.0° | 120.0° |
C4 | C6 | C8 | H6 | 119.4° | 119.9° |
C4 | C6 | N7 | H6 | 122.4° | 120.0° |
C4 | C6 | C8 | O10 | 97.7° | 100.0° |
C4 | C6 | C8 | O9 | 81.9° | 80.0° |
C6 | C4 | C5 | H4 | 90.5° | 99.8° |
C6 | C4 | C5 | H5 | 34.3° | 23.8° |
C4 | C6 | N7 | H8 | 180.0° | 176.0° |
C4 | C6 | N7 | H9 | 60.0° | 60.0° |
C8 | C6 | N7 | H6 | 121.2° | 120.1° |
C6 | C8 | O10 | O9 | 179.6° | 180.0° |
C8 | C6 | C4 | H3 | 53.3° | 59.3° |
C6 | C8 | O9 | H7 | 179.6° | 180.0° |
C8 | C6 | N7 | H8 | 63.6° | 64.0° |
C8 | C6 | N7 | H9 | 56.4° | 60.0° |
N7 | C6 | C8 | O10 | 143.3° | 20.0° |
N7 | C6 | C8 | O9 | 37.1° | 160.0° |
N7 | C6 | C4 | H3 | 64.2° | 60.7° |
C6 | N7 | H8 | H9 | 120.0° | 124.0° |
O10 | C8 | C6 | H6 | 21.7° | 140.0° |
O10 | C8 | O9 | H7 | 0.0° | 0.0° |
O9 | C8 | C6 | H6 | 158.7° | 39.9° |
H1 | C3 | C5 | H4 | 41.8° | 46.8° |
H1 | C3 | C5 | H5 | 83.1° | 76.8° |
H3 | C4 | C5 | H4 | 32.3° | 24.0° |
H3 | C4 | C5 | H5 | 157.2° | 147.6° |
H3 | C4 | C6 | H6 | 172.9° | 179.3° |
H6 | C6 | N7 | H8 | 57.6° | 56.1° |
H6 | C6 | N7 | H9 | 177.6° | 180.0° |