5N6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | O6 | sing | 1.43Å | 1.40Å | |
| O1A | C1 | doub | 1.21Å | 1.23Å | |
| C1 | O1B | sing | 1.34Å | 1.22Å | |
| O4 | C4 | sing | 1.43Å | 1.37Å | |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.47Å | |
| C5 | N5 | sing | 1.46Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C8 | O8 | sing | 1.43Å | 1.37Å | |
| C8 | C7 | sing | 1.53Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| N5 | C10 | sing | 1.35Å | 1.32Å | |
| C7 | O7 | sing | 1.43Å | 1.40Å | |
| C9 | O9 | sing | 1.45Å | 1.37Å | |
| C10 | O10 | doub | 1.21Å | 1.21Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| O9 | CAG | sing | 1.34Å | 1.32Å | |
| CAG | OBJ | doub | 1.21Å | 1.21Å | |
| CAG | CAF | sing | 1.51Å | 1.49Å | |
| CAF | H1 | sing | 1.09Å | 1.10Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 108.9° | 109.2° |
| C3 | C2 | C1 | 109.7° | 109.5° |
| C3 | C2 | O6 | 112.1° | 109.4° |
| C2 | C3 | H32 | 109.6° | 109.6° |
| C2 | C3 | H31 | 109.6° | 109.5° |
| C3 | C2 | O2 | 107.1° | 109.5° |
| C3 | C4 | O4 | 107.7° | 109.6° |
| C3 | C4 | C5 | 113.8° | 109.0° |
| C3 | C4 | H4 | 108.4° | 109.5° |
| C4 | C3 | H32 | 109.6° | 109.5° |
| C4 | C3 | H31 | 109.6° | 109.5° |
| C1 | C2 | O6 | 108.1° | 109.5° |
| C2 | C1 | O1A | 118.1° | 120.0° |
| C2 | C1 | O1B | 116.0° | 120.0° |
| C1 | C2 | O2 | 111.6° | 109.4° |
| C2 | O6 | C6 | 115.7° | 114.1° |
| O6 | C2 | O2 | 108.4° | 109.5° |
| O1A | C1 | O1B | 125.7° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| O4 | C4 | C5 | 109.3° | 109.5° |
| O4 | C4 | H4 | 109.8° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6 | C6 | C5 | 108.3° | 109.4° |
| O6 | C6 | C7 | 112.9° | 109.5° |
| O6 | C6 | H6 | 107.7° | 109.5° |
| C4 | C5 | C6 | 104.7° | 109.1° |
| C4 | C5 | N5 | 105.1° | 109.5° |
| C4 | C5 | H5 | 111.4° | 109.5° |
| C5 | C4 | H4 | 107.8° | 109.6° |
| C6 | C5 | N5 | 111.0° | 109.5° |
| C5 | C6 | C7 | 114.3° | 109.4° |
| C6 | C5 | H5 | 111.9° | 109.5° |
| C5 | C6 | H6 | 106.9° | 109.5° |
| C5 | N5 | C10 | 125.7° | 120.0° |
| C5 | N5 | HN5 | 117.1° | 120.0° |
| N5 | C5 | H5 | 112.3° | 109.6° |
| C6 | C7 | C8 | 112.7° | 109.5° |
| C6 | C7 | O7 | 111.3° | 109.5° |
| C6 | C7 | H7 | 107.6° | 109.5° |
| C7 | C6 | H6 | 106.5° | 109.5° |
| O8 | C8 | C7 | 109.4° | 109.4° |
| O8 | C8 | C9 | 103.8° | 109.4° |
| O8 | C8 | H8 | 113.4° | 109.4° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| C7 | C8 | C9 | 106.8° | 109.5° |
| C8 | C7 | O7 | 108.4° | 109.4° |
| C7 | C8 | H8 | 111.4° | 109.5° |
| C8 | C7 | H7 | 107.7° | 109.5° |
| C8 | C9 | O9 | 105.2° | 109.5° |
| C8 | C9 | H92 | 110.6° | 109.4° |
| C8 | C9 | H91 | 110.5° | 109.5° |
| C9 | C8 | H8 | 111.6° | 109.5° |
| N5 | C10 | O10 | 124.6° | 120.0° |
| N5 | C10 | C11 | 115.6° | 120.0° |
| C10 | N5 | HN5 | 117.2° | 120.0° |
| O7 | C7 | H7 | 109.0° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C9 | O9 | CAG | 107.6° | 117.0° |
| O9 | C9 | H92 | 110.5° | 109.4° |
| O9 | C9 | H91 | 110.6° | 109.5° |
| O10 | C10 | C11 | 119.8° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.4° | 109.4° |
| O9 | CAG | OBJ | 125.0° | 120.0° |
| O9 | CAG | CAF | 114.4° | 120.1° |
| OBJ | CAG | CAF | 120.4° | 120.0° |
| CAG | CAF | H1 | 109.5° | 109.5° |
| CAG | CAF | H2 | 109.5° | 109.5° |
| CAG | CAF | H3 | 109.4° | 109.4° |
| H1 | CAF | H2 | 109.5° | 109.5° |
| H1 | CAF | H3 | 109.5° | 109.5° |
| H2 | CAF | H3 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.4° |
| H32 | C3 | H31 | 109.5° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H32 | 119.9° | 119.9° |
| C2 | C3 | C4 | H31 | 119.9° | 119.9° |
| C3 | C2 | C1 | O6 | 122.4° | 120.0° |
| C3 | C2 | C1 | O2 | 118.5° | 120.0° |
| C3 | C2 | O6 | O2 | 118.0° | 120.0° |
| C3 | C2 | C1 | O1A | 35.2° | 125.0° |
| C3 | C2 | C1 | O1B | 148.8° | 55.0° |
| C2 | C3 | C4 | O4 | 175.1° | 176.9° |
| C3 | C2 | O6 | C6 | 55.3° | 61.2° |
| C2 | C3 | C4 | C5 | 53.8° | 57.0° |
| C2 | C3 | C4 | H4 | 66.1° | 62.9° |
| C2 | C3 | H32 | H31 | 120.2° | 120.2° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 72.1° | 62.4° |
| C4 | C3 | C2 | O6 | 48.0° | 57.6° |
| C3 | C4 | O4 | C5 | 124.1° | 119.6° |
| C3 | C4 | O4 | H4 | 117.8° | 120.2° |
| C3 | C4 | C5 | H4 | 120.2° | 119.8° |
| C3 | C4 | C5 | C6 | 60.4° | 57.0° |
| C3 | C4 | C5 | N5 | 177.5° | 176.9° |
| C3 | C4 | C5 | H5 | 60.7° | 62.9° |
| C4 | C3 | H32 | H31 | 120.3° | 120.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
| C4 | C3 | C2 | O2 | 166.7° | 177.6° |
| C1 | C2 | O6 | O2 | 121.1° | 120.0° |
| C2 | C1 | O1A | O1B | 175.6° | 180.0° |
| C1 | C2 | O6 | C6 | 65.6° | 58.8° |
| C1 | C2 | C3 | H32 | 168.0° | 57.5° |
| C1 | C2 | C3 | H31 | 47.8° | 177.7° |
| C2 | C1 | O1B | HO1B | 175.7° | 179.9° |
| C1 | C2 | O2 | HO2 | 60.0° | 60.0° |
| O6 | C2 | C1 | O1A | 157.6° | 115.0° |
| O6 | C2 | C1 | O1B | 26.3° | 64.9° |
| C2 | O6 | C6 | C5 | 62.7° | 61.2° |
| C2 | O6 | C6 | C7 | 169.8° | 178.9° |
| C2 | O6 | C6 | H6 | 52.5° | 58.9° |
| O6 | C2 | C3 | H32 | 72.0° | 177.5° |
| O6 | C2 | C3 | H31 | 167.9° | 62.3° |
| O6 | C2 | O2 | HO2 | 58.9° | 60.0° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
| O1A | C1 | C2 | O2 | 83.3° | 5.0° |
| O1B | C1 | C2 | O2 | 92.8° | 175.0° |
| O4 | C4 | C5 | H4 | 119.4° | 120.3° |
| O4 | C4 | C5 | C6 | 179.2° | 176.9° |
| O4 | C4 | C5 | N5 | 62.1° | 63.2° |
| O4 | C4 | C5 | H5 | 59.7° | 57.0° |
| O4 | C4 | C3 | H32 | 55.2° | 63.2° |
| O4 | C4 | C3 | H31 | 65.0° | 56.9° |
| O6 | C6 | C5 | C4 | 60.7° | 57.7° |
| O6 | C6 | C5 | C7 | 126.7° | 119.9° |
| O6 | C6 | C5 | H6 | 115.7° | 120.0° |
| O6 | C6 | C5 | N5 | 173.5° | 177.5° |
| O6 | C6 | C7 | H6 | 117.9° | 120.0° |
| O6 | C6 | C7 | C8 | 26.3° | 55.1° |
| O6 | C6 | C7 | O7 | 95.7° | 64.9° |
| O6 | C6 | C7 | H7 | 144.9° | 175.1° |
| O6 | C6 | C5 | H5 | 60.0° | 62.3° |
| C6 | O6 | C2 | O2 | 173.3° | 178.8° |
| C4 | C5 | C6 | N5 | 112.9° | 119.9° |
| C4 | C5 | C6 | H5 | 120.7° | 119.9° |
| C4 | C5 | N5 | H5 | 121.2° | 120.2° |
| C4 | C5 | C6 | C7 | 172.6° | 177.6° |
| C4 | C5 | N5 | C10 | 170.5° | 85.3° |
| C4 | C5 | N5 | HN5 | 9.4° | 94.7° |
| C4 | C5 | C6 | H6 | 55.0° | 62.4° |
| C5 | C4 | C3 | H32 | 66.1° | 176.9° |
| C5 | C4 | C3 | H31 | 173.7° | 62.9° |
| C5 | C4 | O4 | HO4 | 55.9° | 180.0° |
| C6 | C5 | N5 | H5 | 126.2° | 120.2° |
| C5 | C6 | C7 | H6 | 117.8° | 120.0° |
| C5 | C6 | C7 | C8 | 150.6° | 175.0° |
| C6 | C5 | N5 | C10 | 76.9° | 155.0° |
| C5 | C6 | C7 | O7 | 28.6° | 55.0° |
| C5 | C6 | C7 | H7 | 90.8° | 65.0° |
| C6 | C5 | N5 | HN5 | 103.2° | 24.9° |
| C6 | C5 | C4 | H4 | 59.8° | 62.8° |
| N5 | C5 | C6 | C7 | 59.7° | 62.5° |
| C5 | N5 | C10 | HN5 | 180.0° | 179.9° |
| C5 | N5 | C10 | O10 | 3.2° | 0.1° |
| C5 | N5 | C10 | C11 | 178.8° | 180.0° |
| N5 | C5 | C4 | H4 | 57.2° | 57.1° |
| N5 | C5 | C6 | H6 | 57.8° | 57.5° |
| C6 | C7 | C8 | O8 | 67.8° | 60.0° |
| C6 | C7 | C8 | O7 | 123.7° | 120.0° |
| C6 | C7 | C8 | H7 | 118.5° | 120.0° |
| C6 | C7 | C8 | C9 | 179.5° | 180.0° |
| C6 | C7 | O7 | H7 | 118.5° | 120.0° |
| C6 | C7 | C8 | H8 | 58.4° | 60.0° |
| C7 | C6 | C5 | H5 | 66.7° | 57.7° |
| C6 | C7 | O7 | HO7 | 77.9° | 60.0° |
| O8 | C8 | C7 | C9 | 111.8° | 120.0° |
| O8 | C8 | C7 | H8 | 126.2° | 120.0° |
| O8 | C8 | C9 | H8 | 122.4° | 120.0° |
| O8 | C8 | C7 | O7 | 168.6° | 180.0° |
| O8 | C8 | C9 | O9 | 2.0° | 65.0° |
| O8 | C8 | C9 | H92 | 121.4° | 175.0° |
| O8 | C8 | C9 | H91 | 117.3° | 55.0° |
| O8 | C8 | C7 | H7 | 50.8° | 60.0° |
| C7 | C8 | C9 | H8 | 121.9° | 120.1° |
| C8 | C7 | O7 | H7 | 117.0° | 120.0° |
| C7 | C8 | C9 | O9 | 117.6° | 175.0° |
| C7 | C8 | C9 | H92 | 123.0° | 55.0° |
| C7 | C8 | C9 | H91 | 1.7° | 64.9° |
| C8 | C7 | C6 | H6 | 91.6° | 65.0° |
| C8 | C7 | O7 | HO7 | 157.6° | 60.0° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
| C9 | C8 | C7 | O7 | 56.8° | 60.1° |
| C8 | C9 | O9 | H92 | 119.3° | 120.0° |
| C8 | C9 | O9 | H91 | 119.3° | 120.1° |
| C8 | C9 | O9 | CAG | 148.8° | 180.0° |
| C8 | C9 | H92 | H91 | 121.9° | 120.0° |
| C9 | C8 | C7 | H7 | 61.0° | 60.0° |
| C9 | C8 | O8 | HO8 | 66.3° | 60.0° |
| N5 | C10 | O10 | C11 | 177.9° | 180.0° |
| N5 | C10 | C11 | H111 | 178.1° | 180.0° |
| N5 | C10 | C11 | H113 | 61.9° | 59.9° |
| N5 | C10 | C11 | H112 | 58.1° | 60.0° |
| C10 | N5 | C5 | H5 | 49.3° | 34.8° |
| O7 | C7 | C8 | H8 | 65.3° | 60.0° |
| O7 | C7 | C6 | H6 | 146.4° | 175.1° |
| C9 | O9 | CAG | OBJ | 81.8° | 0.0° |
| C9 | O9 | CAG | CAF | 101.4° | 179.9° |
| O9 | C9 | H92 | H91 | 122.0° | 120.0° |
| O9 | C9 | C8 | H8 | 120.4° | 54.9° |
| O10 | C10 | C11 | H111 | 0.0° | 0.0° |
| O10 | C10 | C11 | H113 | 120.0° | 120.0° |
| O10 | C10 | C11 | H112 | 120.0° | 120.0° |
| O10 | C10 | N5 | HN5 | 176.8° | 180.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 119.9° |
| C11 | C10 | N5 | HN5 | 1.1° | 0.0° |
| O9 | CAG | OBJ | CAF | 176.7° | 179.9° |
| O9 | CAG | CAF | H1 | 177.0° | 180.0° |
| O9 | CAG | CAF | H2 | 63.0° | 59.9° |
| O9 | CAG | CAF | H3 | 57.0° | 60.0° |
| CAG | O9 | C9 | H92 | 91.8° | 60.0° |
| CAG | O9 | C9 | H91 | 29.5° | 59.9° |
| OBJ | CAG | CAF | H1 | 0.0° | 0.1° |
| OBJ | CAG | CAF | H2 | 120.0° | 120.0° |
| OBJ | CAG | CAF | H3 | 120.0° | 120.1° |
| CAG | CAF | H1 | H2 | 120.0° | 120.1° |
| CAG | CAF | H1 | H3 | 120.0° | 119.9° |
| CAG | CAF | H2 | H3 | 120.0° | 119.9° |
| H1 | CAF | H2 | H3 | 120.0° | 120.0° |
| H111 | C11 | H113 | H112 | 120.0° | 120.0° |
| H92 | C9 | C8 | H8 | 1.1° | 65.0° |
| H91 | C9 | C8 | H8 | 120.2° | 175.0° |
| H8 | C8 | C7 | H7 | 176.9° | 180.0° |
| H8 | C8 | O8 | HO8 | 55.0° | 180.0° |
| H7 | C7 | C6 | H6 | 27.0° | 55.0° |
| H7 | C7 | O7 | HO7 | 40.7° | 180.0° |
| HN5 | N5 | C5 | H5 | 130.6° | 145.1° |
| H5 | C5 | C4 | H4 | 179.1° | 177.2° |
| H5 | C5 | C6 | H6 | 175.8° | 177.7° |
| H4 | C4 | C3 | H32 | 174.0° | 57.1° |
| H4 | C4 | C3 | H31 | 53.8° | 177.2° |
| H4 | C4 | O4 | HO4 | 62.2° | 59.8° |
| H32 | C3 | C2 | O2 | 46.8° | 62.5° |
| H31 | C3 | C2 | O2 | 73.4° | 57.7° |
