NRN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3A | C3A | sing | 1.43Å | 1.43Å | |
O5A | C4A | sing | 1.43Å | 1.43Å | |
C4A | C3A | sing | 1.55Å | 1.52Å | |
C4A | C5A | sing | 1.55Å | 1.54Å | |
C3A | C2A | sing | 1.54Å | 1.52Å | |
O2A | C2A | sing | 1.43Å | 1.43Å | |
C2A | C1A | sing | 1.54Å | 1.55Å | |
C5A | C1A | sing | 1.54Å | 1.51Å | |
C1A | N9 | sing | 1.47Å | 1.48Å | |
N3 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
N1 | C6 | doub | 1.33Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.37Å | |
N6 | H1 | sing | 0.97Å | 1.00Å | |
N6 | H2 | sing | 0.97Å | 1.00Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C2 | H4 | sing | 1.08Å | 1.08Å | |
C1A | H5 | sing | 1.09Å | 1.10Å | |
C2A | H6 | sing | 1.09Å | 1.10Å | |
O2A | H7 | sing | 0.97Å | 0.95Å | |
C5A | H8 | sing | 1.09Å | 1.10Å | |
C5A | H9 | sing | 1.09Å | 1.10Å | |
C4A | H10 | sing | 1.09Å | 1.10Å | |
O5A | H11 | sing | 0.97Å | 0.95Å | |
C3A | H12 | sing | 1.09Å | 1.10Å | |
O3A | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3A | C3A | C4A | 108.3° | 110.5° |
O3A | C3A | C2A | 114.7° | 110.5° |
O3A | C3A | H12 | 110.7° | 110.6° |
C3A | O3A | H13 | 109.5° | 114.0° |
O5A | C4A | C3A | 108.7° | 110.8° |
O5A | C4A | C5A | 114.2° | 110.8° |
O5A | C4A | H10 | 110.3° | 110.9° |
C4A | O5A | H11 | 109.5° | 113.9° |
C3A | C4A | C5A | 105.5° | 102.7° |
C4A | C3A | C2A | 104.0° | 104.2° |
C3A | C4A | H10 | 109.2° | 110.7° |
C4A | C3A | H12 | 109.5° | 110.4° |
C4A | C5A | C1A | 98.6° | 104.2° |
C4A | C5A | H8 | 112.1° | 110.5° |
C4A | C5A | H9 | 112.1° | 110.6° |
C5A | C4A | H10 | 108.8° | 110.7° |
C3A | C2A | O2A | 112.5° | 110.1° |
C3A | C2A | C1A | 105.9° | 106.6° |
C3A | C2A | H6 | 107.9° | 110.0° |
C2A | C3A | H12 | 109.3° | 110.5° |
O2A | C2A | C1A | 113.5° | 110.1° |
O2A | C2A | H6 | 109.1° | 110.0° |
C2A | O2A | H7 | 109.5° | 114.1° |
C2A | C1A | C5A | 102.5° | 106.6° |
C2A | C1A | N9 | 109.9° | 110.0° |
C2A | C1A | H5 | 108.7° | 110.0° |
C1A | C2A | H6 | 107.6° | 110.0° |
C5A | C1A | N9 | 116.4° | 110.1° |
C5A | C1A | H5 | 109.2° | 110.1° |
C1A | C5A | H8 | 112.1° | 110.5° |
C1A | C5A | H9 | 112.1° | 110.5° |
C1A | N9 | C4 | 122.0° | 126.3° |
C1A | N9 | C8 | 129.1° | 126.2° |
N9 | C1A | H5 | 109.7° | 110.0° |
C2 | N3 | C4 | 118.0° | 120.6° |
N3 | C2 | N1 | 121.0° | 122.5° |
N3 | C2 | H4 | 119.5° | 118.8° |
N3 | C4 | N9 | 130.9° | 134.9° |
N3 | C4 | C5 | 122.0° | 119.1° |
C2 | N1 | C6 | 123.2° | 121.2° |
N1 | C2 | H4 | 119.5° | 118.7° |
C4 | N9 | C8 | 108.8° | 107.5° |
N9 | C4 | C5 | 107.1° | 106.0° |
N9 | C8 | N7 | 107.9° | 109.9° |
N9 | C8 | H3 | 126.1° | 125.1° |
C4 | C5 | C6 | 119.0° | 118.2° |
C4 | C5 | N7 | 107.0° | 107.1° |
N1 | C6 | C5 | 116.7° | 118.5° |
N1 | C6 | N6 | 122.0° | 120.8° |
C8 | N7 | C5 | 109.2° | 109.4° |
N7 | C8 | H3 | 126.1° | 125.0° |
C6 | C5 | N7 | 133.9° | 134.7° |
C5 | C6 | N6 | 121.3° | 120.8° |
C6 | N6 | H1 | 109.5° | 120.0° |
C6 | N6 | H2 | 109.5° | 119.9° |
H1 | N6 | H2 | 109.5° | 120.1° |
H8 | C5A | H9 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3A | C3A | C4A | O5A | 89.2° | 85.1° |
O3A | C3A | C4A | C2A | 122.4° | 118.7° |
O3A | C3A | C4A | H12 | 120.9° | 122.7° |
O3A | C3A | C4A | C5A | 148.0° | 156.6° |
O3A | C3A | C2A | H12 | 125.0° | 122.7° |
O3A | C3A | C2A | O2A | 10.1° | 22.9° |
O3A | C3A | C2A | C1A | 114.5° | 142.3° |
O3A | C3A | C2A | H6 | 130.5° | 98.5° |
O3A | C3A | C4A | H10 | 31.2° | 38.4° |
O5A | C4A | C3A | C5A | 122.8° | 118.3° |
O5A | C4A | C3A | H10 | 120.4° | 123.4° |
O5A | C4A | C5A | H10 | 123.7° | 123.5° |
O5A | C4A | C3A | C2A | 148.4° | 156.2° |
O5A | C4A | C5A | C1A | 164.3° | 156.2° |
O5A | C4A | C5A | H8 | 77.5° | 37.5° |
O5A | C4A | C5A | H9 | 46.1° | 85.1° |
O5A | C4A | C3A | H12 | 31.7° | 37.6° |
C3A | C4A | C5A | H10 | 117.0° | 118.2° |
C4A | C3A | C2A | H12 | 116.8° | 118.6° |
C4A | C3A | C2A | O2A | 128.2° | 95.7° |
C4A | C3A | C2A | C1A | 3.7° | 23.6° |
C3A | C4A | C5A | C1A | 45.1° | 37.9° |
C4A | C3A | C2A | H6 | 111.3° | 142.9° |
C3A | C4A | C5A | H8 | 163.3° | 80.8° |
C3A | C4A | C5A | H9 | 73.1° | 156.6° |
C3A | C4A | O5A | H11 | 180.0° | 61.5° |
C4A | C3A | O3A | H13 | 180.0° | 61.5° |
C5A | C4A | C3A | C2A | 25.6° | 37.9° |
C4A | C5A | C1A | C2A | 45.9° | 23.6° |
C4A | C5A | C1A | H8 | 118.2° | 118.7° |
C4A | C5A | C1A | H9 | 118.2° | 118.8° |
C4A | C5A | C1A | N9 | 165.9° | 142.9° |
C4A | C5A | C1A | H5 | 69.3° | 95.8° |
C4A | C5A | H8 | H9 | 125.1° | 122.7° |
C5A | C4A | O5A | H11 | 62.5° | 174.8° |
C5A | C4A | C3A | H12 | 91.1° | 80.8° |
C3A | C2A | O2A | C1A | 120.2° | 117.2° |
C3A | C2A | O2A | H6 | 119.8° | 121.4° |
C3A | C2A | C1A | H6 | 115.2° | 119.3° |
C3A | C2A | C1A | C5A | 32.0° | 0.1° |
C3A | C2A | C1A | N9 | 156.3° | 119.3° |
C3A | C2A | C1A | H5 | 83.6° | 119.4° |
C3A | C2A | O2A | H7 | 180.0° | 62.8° |
C2A | C3A | C4A | H10 | 91.2° | 80.3° |
C2A | C3A | O3A | H13 | 64.4° | 176.2° |
O2A | C2A | C1A | H6 | 120.8° | 121.4° |
O2A | C2A | C1A | C5A | 155.9° | 119.3° |
O2A | C2A | C1A | N9 | 79.7° | 121.4° |
O2A | C2A | C1A | H5 | 40.3° | 0.1° |
O2A | C2A | C3A | H12 | 115.0° | 145.6° |
C2A | C1A | C5A | N9 | 120.0° | 119.3° |
C2A | C1A | C5A | H5 | 115.2° | 119.3° |
C2A | C1A | N9 | H5 | 119.5° | 121.3° |
C2A | C1A | N9 | C4 | 116.6° | 120.7° |
C2A | C1A | N9 | C8 | 58.8° | 59.3° |
C1A | C2A | O2A | H7 | 59.8° | 180.0° |
C2A | C1A | C5A | H8 | 164.1° | 95.1° |
C2A | C1A | C5A | H9 | 72.3° | 142.4° |
C1A | C2A | C3A | H12 | 120.5° | 95.0° |
C5A | C1A | N9 | H5 | 124.6° | 121.4° |
C5A | C1A | N9 | C4 | 127.4° | 122.1° |
C5A | C1A | N9 | C8 | 57.2° | 57.9° |
C5A | C1A | C2A | H6 | 83.3° | 119.3° |
C1A | C5A | H8 | H9 | 125.1° | 122.5° |
C1A | C5A | C4A | H10 | 72.0° | 80.4° |
C1A | N9 | C4 | N3 | 4.4° | 0.0° |
C1A | N9 | C4 | C8 | 176.2° | 180.0° |
C1A | N9 | C4 | C5 | 177.3° | 180.0° |
C1A | N9 | C8 | N7 | 175.6° | 179.9° |
C1A | N9 | C8 | H3 | 4.4° | 0.0° |
N9 | C1A | C2A | H6 | 41.1° | 0.0° |
N9 | C1A | C5A | H8 | 75.9° | 24.2° |
N9 | C1A | C5A | H9 | 47.7° | 98.3° |
N3 | C2 | N1 | H4 | 180.0° | 179.7° |
C2 | N3 | C4 | N9 | 179.3° | 179.7° |
C2 | N3 | C4 | C5 | 1.3° | 0.3° |
N3 | C2 | N1 | C6 | 0.7° | 0.1° |
C4 | N3 | C2 | N1 | 0.5° | 0.3° |
N3 | C4 | N9 | C5 | 178.2° | 180.0° |
N3 | C4 | N9 | C8 | 179.4° | 180.0° |
N3 | C4 | C5 | C6 | 3.0° | 0.0° |
N3 | C4 | C5 | N7 | 179.5° | 180.0° |
C4 | N3 | C2 | H4 | 179.4° | 180.0° |
C2 | N1 | C6 | C5 | 1.0° | 0.2° |
C2 | N1 | C6 | N6 | 178.9° | 180.0° |
C4 | N9 | C8 | N7 | 0.3° | 0.0° |
N9 | C4 | C5 | C6 | 178.6° | 180.0° |
N9 | C4 | C5 | N7 | 2.1° | 0.0° |
C4 | N9 | C8 | H3 | 179.7° | 179.9° |
C4 | N9 | C1A | H5 | 2.9° | 0.7° |
C8 | N9 | C4 | C5 | 1.1° | 0.0° |
N9 | C8 | N7 | H3 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 1.7° | 0.0° |
C8 | N9 | C1A | H5 | 178.2° | 179.3° |
C4 | C5 | C6 | N1 | 2.7° | 0.2° |
C4 | C5 | N7 | C8 | 2.3° | 0.0° |
C4 | C5 | C6 | N7 | 175.4° | 180.0° |
C4 | C5 | C6 | N6 | 177.2° | 180.0° |
N1 | C6 | C5 | N6 | 179.9° | 179.8° |
N1 | C6 | C5 | N7 | 178.1° | 179.7° |
N1 | C6 | N6 | H1 | 0.0° | 0.0° |
N1 | C6 | N6 | H2 | 120.0° | 179.6° |
C6 | N1 | C2 | H4 | 179.3° | 179.7° |
C8 | N7 | C5 | C6 | 178.1° | 180.0° |
C5 | C6 | N6 | H1 | 179.9° | 179.8° |
C5 | C6 | N6 | H2 | 60.1° | 0.6° |
N7 | C5 | C6 | N6 | 1.8° | 0.0° |
C5 | N7 | C8 | H3 | 178.3° | 179.9° |
C6 | N6 | H1 | H2 | 120.0° | 179.7° |
H5 | C1A | C2A | H6 | 161.2° | 121.3° |
H5 | C1A | C5A | H8 | 48.9° | 145.6° |
H5 | C1A | C5A | H9 | 172.5° | 23.1° |
H6 | C2A | O2A | H7 | 60.2° | 58.6° |
H6 | C2A | C3A | H12 | 5.5° | 24.3° |
H8 | C5A | C4A | H10 | 46.2° | 161.0° |
H9 | C5A | C4A | H10 | 169.8° | 38.4° |
H10 | C4A | O5A | H11 | 60.4° | 61.8° |
H10 | C4A | C3A | H12 | 152.1° | 161.0° |
H12 | C3A | O3A | H13 | 59.9° | 61.1° |