J7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.47Å | 1.46Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C6' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C6' | N7' | sing | 1.46Å | 1.46Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'A | sing | 1.09Å | 1.10Å | |
| C8' | N7' | sing | 1.38Å | 1.32Å | |
| N7' | HN7' | sing | 0.97Å | 1.00Å | |
| N9' | C8' | doub | 1.30Å | 1.32Å | |
| C8' | N9+ | sing | 1.37Å | 1.32Å | |
| N9' | HN9' | sing | 0.97Å | 1.00Å | |
| N9+ | HN9+ | sing | 0.97Å | 1.00Å | |
| N9+ | HN9A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 118.8° | 121.2° |
| N1 | C6 | C5 | 117.5° | 118.5° |
| N1 | C6 | N6 | 118.4° | 120.7° |
| N1 | C2 | N3 | 128.8° | 122.5° |
| N1 | C2 | H2 | 115.6° | 118.8° |
| N3 | C2 | H2 | 115.6° | 118.7° |
| C2 | N3 | C4 | 111.1° | 120.6° |
| N3 | C4 | C5 | 126.5° | 119.1° |
| N3 | C4 | N9 | 127.7° | 134.9° |
| C5 | C4 | N9 | 105.9° | 106.0° |
| C4 | C5 | C6 | 117.3° | 118.2° |
| C4 | C5 | N7 | 110.6° | 107.1° |
| C4 | N9 | C8 | 105.9° | 107.4° |
| C4 | N9 | C1' | 127.3° | 126.3° |
| C6 | C5 | N7 | 132.1° | 134.7° |
| C5 | C6 | N6 | 124.1° | 120.8° |
| C5 | N7 | C8 | 103.5° | 109.4° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| HN6 | N6 | HN6A | 109.5° | 120.1° |
| N7 | C8 | N9 | 114.1° | 110.0° |
| N7 | C8 | H8 | 122.9° | 125.0° |
| N9 | C8 | H8 | 122.9° | 125.0° |
| C8 | N9 | C1' | 126.8° | 126.3° |
| N9 | C1' | O4' | 108.5° | 110.6° |
| N9 | C1' | C2' | 114.2° | 110.6° |
| N9 | C1' | H1' | 109.3° | 110.6° |
| O4' | C1' | C2' | 106.5° | 103.5° |
| O4' | C1' | H1' | 109.9° | 110.8° |
| C1' | O4' | C4' | 109.8° | 107.0° |
| C2' | C1' | H1' | 108.4° | 110.6° |
| C1' | C2' | C3' | 100.3° | 102.1° |
| C1' | C2' | O2' | 112.3° | 110.9° |
| C1' | C2' | H2' | 109.9° | 110.9° |
| C3' | C2' | O2' | 112.5° | 110.9° |
| C3' | C2' | H2' | 109.8° | 110.9° |
| C2' | C3' | C4' | 101.6° | 104.2° |
| C2' | C3' | O3' | 112.3° | 110.5° |
| C2' | C3' | H3' | 109.7° | 110.5° |
| O2' | C2' | H2' | 111.5° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 111.8° | 110.5° |
| C4' | C3' | H3' | 109.8° | 110.6° |
| C3' | C4' | O4' | 105.1° | 107.3° |
| C3' | C4' | C5' | 115.4° | 109.9° |
| C3' | C4' | H4' | 109.3° | 109.9° |
| O3' | C3' | H3' | 111.3° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O4' | C4' | C5' | 107.0° | 109.9° |
| O4' | C4' | H4' | 110.4° | 110.0° |
| C5' | C4' | H4' | 109.4° | 109.9° |
| C4' | C5' | C6' | 114.2° | 109.4° |
| C4' | C5' | H5' | 108.3° | 109.5° |
| C4' | C5' | H5'A | 108.3° | 109.5° |
| C6' | C5' | H5' | 108.3° | 109.4° |
| C6' | C5' | H5'A | 108.3° | 109.5° |
| C5' | C6' | N7' | 111.8° | 109.5° |
| C5' | C6' | H6' | 108.9° | 109.4° |
| C5' | C6' | H6'A | 108.9° | 109.5° |
| H5' | C5' | H5'A | 109.5° | 109.5° |
| N7' | C6' | H6' | 108.9° | 109.5° |
| N7' | C6' | H6'A | 108.9° | 109.5° |
| C6' | N7' | C8' | 125.2° | 120.0° |
| C6' | N7' | HN7' | 117.4° | 120.0° |
| H6' | C6' | H6'A | 109.5° | 109.5° |
| C8' | N7' | HN7' | 117.4° | 120.0° |
| N7' | C8' | N9' | 119.7° | 120.0° |
| N7' | C8' | N9+ | 120.2° | 120.0° |
| N9' | C8' | N9+ | 120.0° | 120.0° |
| C8' | N9' | HN9' | 112.0° | 120.0° |
| C8' | N9+ | HN9+ | 120.0° | 120.0° |
| C8' | N9+ | HN9A | 120.0° | 120.0° |
| HN9+ | N9+ | HN9A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | N3 | 0.5° | 0.1° |
| C6 | N1 | C2 | H2 | 179.5° | 180.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | N6 | 178.6° | 180.0° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.6° | 0.1° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | N6 | 178.4° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.7° | 180.0° |
| H2 | C2 | N3 | C4 | 179.4° | 180.0° |
| N3 | C4 | C5 | N9 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 180.0° |
| N3 | C4 | N9 | C1' | 1.9° | 0.0° |
| C4 | C5 | C6 | N7 | 179.7° | 180.0° |
| C4 | C5 | C6 | N6 | 177.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C8 | 0.6° | 0.0° |
| C5 | C4 | N9 | C1' | 177.9° | 180.0° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| C4 | N9 | C8 | N7 | 0.5° | 0.0° |
| C4 | N9 | C8 | C1' | 178.6° | 180.0° |
| C4 | N9 | C8 | H8 | 179.5° | 180.0° |
| C4 | N9 | C1' | O4' | 120.8° | 161.0° |
| C4 | N9 | C1' | C2' | 120.5° | 85.0° |
| C4 | N9 | C1' | H1' | 1.0° | 37.9° |
| C5 | C6 | N6 | HN6 | 178.5° | 180.0° |
| C5 | C6 | N6 | HN6A | 61.5° | 0.0° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| N7 | C5 | C6 | N6 | 1.8° | 0.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.1° | 180.0° |
| C8 | N9 | C1' | O4' | 60.9° | 19.0° |
| C8 | N9 | C1' | C2' | 57.7° | 95.0° |
| C8 | N9 | C1' | H1' | 179.3° | 142.1° |
| H8 | C8 | N9 | C1' | 1.9° | 0.0° |
| N9 | C1' | O4' | C2' | 123.4° | 118.5° |
| N9 | C1' | O4' | H1' | 119.4° | 122.9° |
| N9 | C1' | C2' | H1' | 122.1° | 122.8° |
| N9 | C1' | C2' | C3' | 153.0° | 155.5° |
| N9 | C1' | C2' | O2' | 87.3° | 86.3° |
| N9 | C1' | C2' | H2' | 37.4° | 37.3° |
| N9 | C1' | O4' | C4' | 136.5° | 158.6° |
| O4' | C1' | C2' | H1' | 118.2° | 118.7° |
| O4' | C1' | C2' | C3' | 33.2° | 37.0° |
| O4' | C1' | C2' | O2' | 152.9° | 155.2° |
| O4' | C1' | C2' | H2' | 82.4° | 81.2° |
| C1' | O4' | C4' | C3' | 13.1° | 26.6° |
| C1' | O4' | C4' | C5' | 110.1° | 145.9° |
| C1' | O4' | C4' | H4' | 130.9° | 92.9° |
| C1' | C2' | C3' | O2' | 119.5° | 118.1° |
| C1' | C2' | C3' | H2' | 115.7° | 118.1° |
| C1' | C2' | O2' | H2' | 123.8° | 123.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 39.6° | 20.9° |
| C1' | C2' | C3' | O3' | 79.9° | 97.8° |
| C1' | C2' | C3' | H3' | 155.8° | 139.7° |
| C2' | C1' | O4' | C4' | 13.1° | 40.1° |
| H1' | C1' | C2' | C3' | 84.9° | 81.7° |
| H1' | C1' | C2' | O2' | 34.7° | 36.5° |
| H1' | C1' | C2' | H2' | 159.4° | 160.2° |
| H1' | C1' | O4' | C4' | 104.1° | 78.5° |
| C3' | C2' | O2' | H2' | 123.9° | 123.7° |
| C3' | C2' | O2' | HO2' | 67.8° | 67.4° |
| C2' | C3' | C4' | O3' | 119.9° | 118.7° |
| C2' | C3' | C4' | H3' | 116.1° | 118.8° |
| C2' | C3' | O3' | H3' | 123.4° | 122.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | O4' | 33.4° | 2.1° |
| C2' | C3' | C4' | C5' | 84.2° | 121.5° |
| C2' | C3' | C4' | H4' | 152.0° | 117.5° |
| O2' | C2' | C3' | C4' | 159.2° | 139.0° |
| O2' | C2' | C3' | O3' | 39.6° | 20.3° |
| O2' | C2' | C3' | H3' | 84.7° | 102.1° |
| H2' | C2' | O2' | HO2' | 56.1° | 56.4° |
| H2' | C2' | C3' | C4' | 76.1° | 97.3° |
| H2' | C2' | C3' | O3' | 164.4° | 144.1° |
| H2' | C2' | C3' | H3' | 40.1° | 21.6° |
| C4' | C3' | O3' | H3' | 123.2° | 122.7° |
| C4' | C3' | O3' | HO3' | 66.6° | 176.2° |
| C3' | C4' | O4' | C5' | 123.2° | 119.4° |
| C3' | C4' | O4' | H4' | 117.8° | 119.5° |
| C3' | C4' | C5' | H4' | 123.7° | 121.0° |
| C3' | C4' | C5' | C6' | 152.7° | 175.0° |
| C3' | C4' | C5' | H5' | 32.0° | 55.0° |
| C3' | C4' | C5' | H5'A | 86.6° | 65.0° |
| O3' | C3' | C4' | O4' | 86.5° | 120.7° |
| O3' | C3' | C4' | C5' | 155.9° | 119.9° |
| O3' | C3' | C4' | H4' | 32.1° | 1.1° |
| H3' | C3' | O3' | HO3' | 56.6° | 61.1° |
| H3' | C3' | C4' | O4' | 149.5° | 116.7° |
| H3' | C3' | C4' | C5' | 31.9° | 2.7° |
| H3' | C3' | C4' | H4' | 91.9° | 123.7° |
| O4' | C4' | C5' | H4' | 119.7° | 121.2° |
| O4' | C4' | C5' | C6' | 90.8° | 67.2° |
| O4' | C4' | C5' | H5' | 148.6° | 172.8° |
| O4' | C4' | C5' | H5'A | 29.9° | 52.8° |
| C4' | C5' | C6' | H5' | 120.7° | 120.0° |
| C4' | C5' | C6' | H5'A | 120.7° | 120.0° |
| C4' | C5' | H5' | H5'A | 117.9° | 120.1° |
| C4' | C5' | C6' | N7' | 167.7° | 180.0° |
| C4' | C5' | C6' | H6' | 72.0° | 60.0° |
| C4' | C5' | C6' | H6'A | 47.3° | 60.0° |
| H4' | C4' | C5' | C6' | 28.9° | 54.0° |
| H4' | C4' | C5' | H5' | 91.8° | 66.0° |
| H4' | C4' | C5' | H5'A | 149.6° | 174.0° |
| C6' | C5' | H5' | H5'A | 117.9° | 120.0° |
| C5' | C6' | N7' | H6' | 120.3° | 120.0° |
| C5' | C6' | N7' | H6'A | 120.3° | 120.0° |
| C5' | C6' | H6' | H6'A | 118.9° | 120.0° |
| C5' | C6' | N7' | C8' | 172.6° | 180.0° |
| C5' | C6' | N7' | HN7' | 7.4° | 0.0° |
| H5' | C5' | C6' | N7' | 47.0° | 60.0° |
| H5' | C5' | C6' | H6' | 167.4° | 180.0° |
| H5' | C5' | C6' | H6'A | 73.3° | 60.0° |
| H5'A | C5' | C6' | N7' | 71.6° | 60.0° |
| H5'A | C5' | C6' | H6' | 48.7° | 60.0° |
| H5'A | C5' | C6' | H6'A | 168.1° | 180.0° |
| N7' | C6' | H6' | H6'A | 119.0° | 120.1° |
| C6' | N7' | C8' | HN7' | 180.0° | 179.9° |
| C6' | N7' | C8' | N9' | 1.7° | 180.0° |
| C6' | N7' | C8' | N9+ | 176.4° | 0.0° |
| H6' | C6' | N7' | C8' | 67.0° | 60.0° |
| H6' | C6' | N7' | HN7' | 113.0° | 119.9° |
| H6'A | C6' | N7' | C8' | 52.3° | 60.0° |
| H6'A | C6' | N7' | HN7' | 127.7° | 120.0° |
| N7' | C8' | N9' | N9+ | 178.1° | 180.0° |
| N7' | C8' | N9' | HN9' | 178.1° | 179.9° |
| N7' | C8' | N9+ | HN9+ | 178.1° | 0.1° |
| N7' | C8' | N9+ | HN9A | 1.9° | 180.0° |
| HN7' | N7' | C8' | N9' | 178.3° | 0.1° |
| HN7' | N7' | C8' | N9+ | 3.6° | 180.0° |
| N9' | C8' | N9+ | HN9+ | 0.0° | 180.0° |
| N9' | C8' | N9+ | HN9A | 180.0° | 0.0° |
| N9+ | C8' | N9' | HN9' | 0.0° | 0.0° |
| C8' | N9+ | HN9+ | HN9A | 180.0° | 179.9° |
