NGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | O8 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | O7 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| O6 | C2 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.51Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | O1B | sing | 1.34Å | 1.25Å | |
| C1 | O1A | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | N5 | sing | 1.47Å | 1.49Å | |
| N5 | C10 | sing | 1.35Å | 1.34Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | O11 | sing | 1.43Å | 1.43Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C9 | C8 | 111.3° | 109.5° |
| C9 | O9 | HO9 | 109.5° | 114.0° |
| O9 | C9 | H91 | 108.9° | 109.4° |
| O9 | C9 | H92 | 108.9° | 109.5° |
| C9 | C8 | O8 | 110.6° | 109.5° |
| C9 | C8 | C7 | 112.5° | 109.5° |
| C8 | C9 | H91 | 108.9° | 109.5° |
| C8 | C9 | H92 | 108.9° | 109.5° |
| C9 | C8 | H8 | 106.6° | 109.5° |
| O8 | C8 | C7 | 109.7° | 109.5° |
| O8 | C8 | H8 | 109.6° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| C8 | C7 | O7 | 108.9° | 109.5° |
| C8 | C7 | C6 | 110.4° | 109.5° |
| C7 | C8 | H8 | 107.6° | 109.4° |
| C8 | C7 | H7 | 109.2° | 109.5° |
| O7 | C7 | C6 | 109.3° | 109.5° |
| O7 | C7 | H7 | 110.2° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C7 | C6 | O6 | 104.8° | 109.4° |
| C7 | C6 | C5 | 118.0° | 109.5° |
| C6 | C7 | H7 | 108.8° | 109.5° |
| C7 | C6 | H6 | 107.6° | 109.5° |
| O6 | C6 | C5 | 111.2° | 109.4° |
| C6 | O6 | C2 | 117.1° | 114.1° |
| O6 | C6 | H6 | 114.9° | 109.5° |
| C6 | C5 | C4 | 109.8° | 109.2° |
| C6 | C5 | N5 | 111.0° | 109.5° |
| C5 | C6 | H6 | 100.8° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| O6 | C2 | C1 | 114.0° | 109.5° |
| O6 | C2 | O2 | 105.3° | 109.5° |
| O6 | C2 | C3 | 111.1° | 109.4° |
| C1 | C2 | O2 | 107.8° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | O1B | 118.1° | 120.0° |
| C2 | C1 | O1A | 117.0° | 120.1° |
| O2 | C2 | C3 | 107.3° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 111.9° | 109.1° |
| C2 | C3 | H31 | 108.7° | 109.5° |
| C2 | C3 | H32 | 108.7° | 109.5° |
| O1B | C1 | O1A | 124.9° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| C3 | C4 | O4 | 108.7° | 109.5° |
| C3 | C4 | C5 | 112.5° | 109.1° |
| C4 | C3 | H31 | 108.7° | 109.6° |
| C4 | C3 | H32 | 108.7° | 109.6° |
| C3 | C4 | H4 | 108.5° | 109.6° |
| O4 | C4 | C5 | 111.0° | 109.6° |
| O4 | C4 | H4 | 110.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | N5 | 110.1° | 109.5° |
| C5 | C4 | H4 | 106.0° | 109.7° |
| C4 | C5 | H5 | 109.3° | 109.6° |
| C5 | N5 | C10 | 124.5° | 120.0° |
| N5 | C5 | H5 | 108.1° | 109.6° |
| C5 | N5 | HN5 | 117.7° | 120.0° |
| N5 | C10 | O10 | 125.6° | 120.0° |
| N5 | C10 | C11 | 114.6° | 120.0° |
| C10 | N5 | HN5 | 117.8° | 120.0° |
| O10 | C10 | C11 | 119.8° | 120.0° |
| C10 | C11 | O11 | 110.8° | 109.5° |
| C10 | C11 | H111 | 109.0° | 109.5° |
| C10 | C11 | H112 | 109.1° | 109.5° |
| O11 | C11 | H111 | 109.0° | 109.5° |
| O11 | C11 | H112 | 109.0° | 109.5° |
| C11 | O11 | HO11 | 109.5° | 114.0° |
| H91 | C9 | H92 | 110.1° | 109.5° |
| H31 | C3 | H32 | 110.3° | 109.6° |
| H111 | C11 | H112 | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C9 | C8 | H91 | 120.0° | 120.0° |
| O9 | C9 | C8 | H92 | 120.0° | 120.0° |
| O9 | C9 | C8 | O8 | 54.1° | 65.0° |
| O9 | C9 | C8 | C7 | 69.1° | 175.0° |
| O9 | C9 | H91 | H92 | 119.3° | 120.0° |
| O9 | C9 | C8 | H8 | 173.2° | 55.0° |
| C9 | C8 | O8 | C7 | 124.7° | 120.0° |
| C9 | C8 | O8 | H8 | 117.3° | 120.0° |
| C9 | C8 | C7 | H8 | 117.2° | 120.0° |
| C9 | C8 | C7 | O7 | 77.7° | 60.0° |
| C9 | C8 | C7 | C6 | 162.3° | 180.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| C8 | C9 | H91 | H92 | 119.3° | 120.0° |
| C9 | C8 | O8 | HO8 | 180.0° | 60.0° |
| C9 | C8 | C7 | H7 | 42.7° | 60.0° |
| O8 | C8 | C7 | H8 | 119.2° | 120.0° |
| O8 | C8 | C7 | O7 | 158.7° | 180.0° |
| O8 | C8 | C7 | C6 | 38.6° | 60.0° |
| O8 | C8 | C9 | H91 | 174.0° | 55.0° |
| O8 | C8 | C9 | H92 | 65.9° | 175.0° |
| O8 | C8 | C7 | H7 | 80.9° | 60.0° |
| C8 | C7 | O7 | C6 | 120.7° | 120.0° |
| C8 | C7 | O7 | H7 | 119.7° | 120.0° |
| C8 | C7 | C6 | H7 | 119.8° | 120.0° |
| C8 | C7 | C6 | O6 | 64.4° | 55.0° |
| C8 | C7 | C6 | C5 | 171.3° | 174.9° |
| C7 | C8 | C9 | H91 | 50.9° | 65.0° |
| C7 | C8 | C9 | H92 | 170.9° | 55.0° |
| C7 | C8 | O8 | HO8 | 55.3° | 60.0° |
| C8 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C8 | C7 | C6 | H6 | 58.3° | 65.0° |
| O7 | C7 | C6 | H7 | 120.4° | 120.0° |
| O7 | C7 | C6 | O6 | 55.4° | 65.0° |
| O7 | C7 | C6 | C5 | 68.9° | 54.9° |
| O7 | C7 | C8 | H8 | 39.5° | 60.0° |
| O7 | C7 | C6 | H6 | 178.1° | 175.0° |
| C7 | C6 | O6 | C5 | 128.6° | 120.0° |
| C7 | C6 | O6 | H6 | 117.8° | 120.0° |
| C7 | C6 | C5 | H6 | 116.7° | 120.0° |
| C7 | C6 | O6 | C2 | 175.5° | 178.9° |
| C7 | C6 | C5 | C4 | 173.7° | 177.6° |
| C7 | C6 | C5 | N5 | 64.3° | 62.5° |
| C6 | C7 | C8 | H8 | 80.6° | 60.0° |
| C6 | C7 | O7 | HO7 | 59.3° | 60.0° |
| C7 | C6 | C5 | H5 | 54.3° | 57.6° |
| O6 | C6 | C5 | H6 | 122.2° | 120.0° |
| C6 | O6 | C2 | C1 | 72.6° | 58.9° |
| C6 | O6 | C2 | O2 | 169.5° | 178.8° |
| C6 | O6 | C2 | C3 | 53.7° | 61.2° |
| O6 | C6 | C5 | C4 | 52.6° | 57.6° |
| O6 | C6 | C5 | N5 | 174.5° | 177.5° |
| O6 | C6 | C7 | H7 | 175.9° | 175.0° |
| O6 | C6 | C5 | H5 | 66.8° | 62.3° |
| C5 | C6 | O6 | C2 | 55.9° | 61.2° |
| C6 | C5 | C4 | C3 | 52.1° | 57.0° |
| C6 | C5 | C4 | O4 | 174.2° | 176.9° |
| C6 | C5 | C4 | N5 | 122.5° | 119.8° |
| C6 | C5 | C4 | H5 | 118.8° | 119.9° |
| C6 | C5 | N5 | H5 | 118.8° | 120.1° |
| C6 | C5 | N5 | C10 | 119.6° | 155.0° |
| C5 | C6 | C7 | H7 | 51.5° | 65.1° |
| C6 | C5 | C4 | H4 | 66.4° | 62.9° |
| C6 | C5 | N5 | HN5 | 60.5° | 25.1° |
| O6 | C2 | C1 | O2 | 116.4° | 120.0° |
| O6 | C2 | C1 | C3 | 126.3° | 120.0° |
| O6 | C2 | O2 | C3 | 118.4° | 120.0° |
| O6 | C2 | C1 | O1B | 15.1° | 65.0° |
| O6 | C2 | C1 | O1A | 166.0° | 115.0° |
| O6 | C2 | C3 | C4 | 49.5° | 57.6° |
| C2 | O6 | C6 | H6 | 57.7° | 58.9° |
| O6 | C2 | O2 | HO2 | 149.3° | 60.0° |
| O6 | C2 | C3 | H31 | 70.5° | 62.3° |
| O6 | C2 | C3 | H32 | 169.5° | 177.5° |
| C1 | C2 | O2 | C3 | 119.6° | 120.0° |
| C2 | C1 | O1B | O1A | 178.7° | 180.0° |
| C1 | C2 | C3 | C4 | 78.4° | 62.4° |
| C2 | C1 | O1B | HO1B | 178.7° | 180.0° |
| C1 | C2 | O2 | HO2 | 27.4° | 60.0° |
| C1 | C2 | C3 | H31 | 161.6° | 177.7° |
| C1 | C2 | C3 | H32 | 41.6° | 57.5° |
| O2 | C2 | C1 | O1B | 101.3° | 175.0° |
| O2 | C2 | C1 | O1A | 77.5° | 5.0° |
| O2 | C2 | C3 | C4 | 164.0° | 177.6° |
| O2 | C2 | C3 | H31 | 44.0° | 57.7° |
| O2 | C2 | C3 | H32 | 76.0° | 62.5° |
| C3 | C2 | C1 | O1B | 141.5° | 55.0° |
| C3 | C2 | C1 | O1A | 39.7° | 125.0° |
| C2 | C3 | C4 | H31 | 120.0° | 119.9° |
| C2 | C3 | C4 | H32 | 120.0° | 119.9° |
| C2 | C3 | C4 | O4 | 174.4° | 176.9° |
| C2 | C3 | C4 | C5 | 51.0° | 57.0° |
| C3 | C2 | O2 | HO2 | 92.3° | 180.0° |
| C2 | C3 | H31 | H32 | 119.0° | 120.1° |
| C2 | C3 | C4 | H4 | 66.0° | 63.0° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
| C3 | C4 | O4 | C5 | 124.3° | 119.6° |
| C3 | C4 | O4 | H4 | 118.7° | 120.1° |
| C3 | C4 | C5 | H4 | 118.4° | 120.0° |
| C3 | C4 | C5 | N5 | 174.5° | 176.9° |
| C4 | C3 | H31 | H32 | 119.0° | 120.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 66.8° | 62.9° |
| O4 | C4 | C5 | H4 | 119.5° | 120.2° |
| O4 | C4 | C5 | N5 | 63.4° | 63.3° |
| O4 | C4 | C3 | H31 | 54.4° | 57.0° |
| O4 | C4 | C3 | H32 | 65.6° | 63.2° |
| O4 | C4 | C5 | H5 | 55.3° | 56.9° |
| C4 | C5 | N5 | H5 | 119.4° | 120.2° |
| C4 | C5 | N5 | C10 | 118.7° | 85.3° |
| C4 | C5 | C6 | H6 | 69.6° | 62.4° |
| C5 | C4 | C3 | H31 | 69.0° | 62.9° |
| C5 | C4 | C3 | H32 | 171.0° | 176.9° |
| C5 | C4 | O4 | HO4 | 55.7° | 179.6° |
| C4 | C5 | N5 | HN5 | 61.3° | 94.6° |
| C5 | N5 | C10 | HN5 | 180.0° | 179.9° |
| C5 | N5 | C10 | O10 | 0.1° | 0.0° |
| C5 | N5 | C10 | C11 | 179.5° | 180.0° |
| N5 | C5 | C6 | H6 | 52.3° | 57.5° |
| N5 | C5 | C4 | H4 | 56.1° | 56.9° |
| N5 | C10 | O10 | C11 | 179.6° | 180.0° |
| N5 | C10 | C11 | O11 | 14.5° | 180.0° |
| C10 | N5 | C5 | H5 | 0.7° | 34.9° |
| N5 | C10 | C11 | H111 | 105.5° | 60.0° |
| N5 | C10 | C11 | H112 | 134.4° | 60.0° |
| O10 | C10 | C11 | O11 | 165.2° | 0.0° |
| O10 | C10 | N5 | HN5 | 179.9° | 179.9° |
| O10 | C10 | C11 | H111 | 74.8° | 120.0° |
| O10 | C10 | C11 | H112 | 45.2° | 120.0° |
| C10 | C11 | O11 | H111 | 120.0° | 120.0° |
| C10 | C11 | O11 | H112 | 120.0° | 120.0° |
| C11 | C10 | N5 | HN5 | 0.5° | 0.1° |
| C10 | C11 | H111 | H112 | 119.5° | 120.0° |
| C10 | C11 | O11 | HO11 | 180.0° | 180.0° |
| O11 | C11 | H111 | H112 | 119.5° | 120.0° |
| HO9 | O9 | C9 | H91 | 60.0° | 60.0° |
| HO9 | O9 | C9 | H92 | 60.0° | 60.0° |
| H91 | C9 | C8 | H8 | 66.8° | 175.0° |
| H92 | C9 | C8 | H8 | 53.2° | 65.0° |
| H8 | C8 | O8 | HO8 | 62.7° | 179.9° |
| H8 | C8 | C7 | H7 | 159.9° | 180.0° |
| H7 | C7 | O7 | HO7 | 60.3° | 180.0° |
| H7 | C7 | C6 | H6 | 61.5° | 55.0° |
| H6 | C6 | C5 | H5 | 171.0° | 177.7° |
| H31 | C3 | C4 | H4 | 174.0° | 177.1° |
| H32 | C3 | C4 | H4 | 54.0° | 56.9° |
| H4 | C4 | O4 | HO4 | 61.3° | 60.1° |
| H4 | C4 | C5 | H5 | 174.8° | 177.1° |
| H5 | C5 | N5 | HN5 | 179.3° | 145.2° |
| H111 | C11 | O11 | HO11 | 60.0° | 60.0° |
| H112 | C11 | O11 | HO11 | 60.0° | 60.0° |
