9SP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| O1A | C1 | doub | 1.21Å | 1.24Å | |
| N5 | C10 | sing | 1.35Å | 1.34Å | |
| N5 | C5 | sing | 1.47Å | 1.48Å | |
| O1B | C1 | sing | 1.34Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C10 | O10 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | FAI | sing | 1.40Å | 1.39Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C2 | O6 | sing | 1.43Å | 1.44Å | |
| C2 | FAJ | sing | 1.40Å | 1.34Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | O7 | sing | 1.43Å | 1.44Å | |
| C9 | O9 | sing | 1.43Å | 1.44Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | 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 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N5 | 115.9° | 120.0° |
| C11 | C10 | O10 | 118.6° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.4° | 109.4° |
| O1A | C1 | O1B | 122.0° | 120.0° |
| O1A | C1 | C2 | 120.2° | 119.9° |
| C10 | N5 | C5 | 124.5° | 120.0° |
| N5 | C10 | O10 | 125.5° | 120.0° |
| C10 | N5 | HN5 | 117.8° | 120.0° |
| N5 | C5 | C4 | 106.3° | 109.6° |
| N5 | C5 | C6 | 112.9° | 109.5° |
| N5 | C5 | H5 | 109.5° | 109.6° |
| C5 | N5 | HN5 | 117.8° | 120.0° |
| O1B | C1 | C2 | 117.8° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| C1 | C2 | C3 | 114.6° | 109.4° |
| C1 | C2 | O6 | 108.2° | 109.5° |
| C1 | C2 | FAJ | 107.0° | 109.5° |
| O4 | C4 | C5 | 106.0° | 109.5° |
| O4 | C4 | C3 | 110.5° | 109.6° |
| O4 | C4 | H4 | 110.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | C3 | 113.3° | 109.0° |
| C4 | C5 | C6 | 110.6° | 109.2° |
| C5 | C4 | H4 | 108.6° | 109.6° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | C3 | C2 | 115.5° | 109.2° |
| C4 | C3 | FAI | 111.4° | 109.5° |
| C4 | C3 | H32 | 106.3° | 109.6° |
| C3 | C4 | H4 | 108.3° | 109.6° |
| C5 | C6 | O6 | 109.9° | 109.4° |
| C5 | C6 | C7 | 115.4° | 109.5° |
| C5 | C6 | H6 | 108.3° | 109.4° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C2 | C3 | FAI | 108.6° | 109.5° |
| C3 | C2 | O6 | 109.9° | 109.4° |
| C3 | C2 | FAJ | 108.8° | 109.5° |
| C2 | C3 | H32 | 106.3° | 109.5° |
| FAI | C3 | H32 | 108.3° | 109.5° |
| O6 | C6 | C7 | 104.9° | 109.5° |
| C6 | O6 | C2 | 118.9° | 114.1° |
| O6 | C6 | H6 | 109.6° | 109.5° |
| C6 | C7 | C8 | 112.2° | 109.5° |
| C6 | C7 | O7 | 108.7° | 109.4° |
| C7 | C6 | H6 | 108.7° | 109.4° |
| C6 | C7 | H7 | 107.1° | 109.5° |
| O6 | C2 | FAJ | 108.0° | 109.5° |
| C7 | C8 | C9 | 115.2° | 109.4° |
| C8 | C7 | O7 | 113.6° | 109.5° |
| C8 | C7 | H7 | 106.8° | 109.5° |
| C7 | C8 | H8 | 108.0° | 109.5° |
| C7 | C8 | H8A | 108.0° | 109.5° |
| C8 | C9 | O9 | 109.3° | 109.4° |
| C9 | C8 | H8 | 108.0° | 109.4° |
| C9 | C8 | H8A | 108.0° | 109.4° |
| C8 | C9 | H92 | 109.5° | 109.5° |
| C8 | C9 | H91 | 109.5° | 109.5° |
| O7 | C7 | H7 | 108.1° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| O9 | C9 | H92 | 109.5° | 109.5° |
| O9 | C9 | H91 | 109.5° | 109.5° |
| C9 | O9 | HO9 | 109.5° | 114.0° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N5 | O10 | 179.8° | 179.9° |
| C11 | C10 | N5 | C5 | 179.6° | 180.0° |
| C11 | C10 | N5 | HN5 | 0.4° | 0.1° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 119.9° |
| O1A | C1 | O1B | C2 | 178.6° | 179.9° |
| O1A | C1 | C2 | C3 | 32.7° | 136.4° |
| O1A | C1 | C2 | O6 | 155.7° | 16.4° |
| O1A | C1 | C2 | FAJ | 88.1° | 103.6° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.1° |
| C10 | N5 | C5 | HN5 | 180.0° | 179.9° |
| C10 | N5 | C5 | C4 | 116.0° | 84.9° |
| C10 | N5 | C5 | C6 | 122.5° | 155.3° |
| C10 | N5 | C5 | H5 | 1.4° | 35.2° |
| N5 | C10 | C11 | H111 | 179.8° | 0.0° |
| N5 | C10 | C11 | H113 | 59.8° | 120.0° |
| N5 | C10 | C11 | H112 | 60.2° | 120.1° |
| N5 | C5 | C4 | O4 | 68.4° | 63.2° |
| N5 | C5 | C4 | C6 | 122.9° | 119.9° |
| N5 | C5 | C4 | H5 | 117.9° | 120.2° |
| N5 | C5 | C4 | C3 | 170.2° | 176.9° |
| C5 | N5 | C10 | O10 | 0.2° | 0.1° |
| N5 | C5 | C6 | H5 | 121.7° | 120.2° |
| N5 | C5 | C6 | O6 | 173.2° | 177.5° |
| N5 | C5 | C6 | C7 | 68.5° | 62.4° |
| N5 | C5 | C4 | H4 | 49.7° | 57.0° |
| N5 | C5 | C6 | H6 | 53.5° | 57.5° |
| O1B | C1 | C2 | C3 | 148.7° | 43.7° |
| O1B | C1 | C2 | O6 | 25.6° | 163.7° |
| O1B | C1 | C2 | FAJ | 90.6° | 76.3° |
| C1 | C2 | C3 | C4 | 81.0° | 62.4° |
| C1 | C2 | C3 | O6 | 122.1° | 120.0° |
| C1 | C2 | C3 | FAJ | 119.8° | 120.0° |
| C1 | C2 | C3 | FAI | 153.0° | 177.7° |
| C1 | C2 | O6 | C6 | 73.6° | 58.8° |
| C1 | C2 | O6 | FAJ | 115.5° | 120.0° |
| C2 | C1 | O1B | HO1B | 178.7° | 180.0° |
| C1 | C2 | C3 | H32 | 36.6° | 57.6° |
| O4 | C4 | C5 | C3 | 121.4° | 119.9° |
| O4 | C4 | C5 | H4 | 118.1° | 120.2° |
| O4 | C4 | C3 | H4 | 120.5° | 120.2° |
| O4 | C4 | C5 | C6 | 168.7° | 176.8° |
| O4 | C4 | C3 | C2 | 160.7° | 176.8° |
| O4 | C4 | C3 | FAI | 36.1° | 57.0° |
| O4 | C4 | C3 | H32 | 81.7° | 63.2° |
| O4 | C4 | C5 | H5 | 49.5° | 57.0° |
| C5 | C4 | C3 | H4 | 120.6° | 119.9° |
| C4 | C5 | C6 | H5 | 119.3° | 119.9° |
| C5 | C4 | C3 | C2 | 41.8° | 56.9° |
| C5 | C4 | C3 | FAI | 82.7° | 62.9° |
| C4 | C5 | C6 | O6 | 54.2° | 57.6° |
| C4 | C5 | C6 | C7 | 172.5° | 177.6° |
| C5 | C4 | C3 | H32 | 159.4° | 176.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 65.5° | 62.4° |
| C4 | C5 | N5 | HN5 | 64.0° | 95.0° |
| C3 | C4 | C5 | C6 | 47.3° | 56.9° |
| C4 | C3 | C2 | FAI | 126.0° | 119.9° |
| C4 | C3 | C2 | H32 | 117.6° | 120.0° |
| C4 | C3 | FAI | H32 | 116.6° | 120.2° |
| C4 | C3 | C2 | O6 | 41.1° | 57.6° |
| C4 | C3 | C2 | FAJ | 159.3° | 177.6° |
| C3 | C4 | O4 | HO4 | 56.9° | 60.4° |
| C3 | C4 | C5 | H5 | 71.9° | 62.9° |
| O10 | C10 | N5 | HN5 | 179.8° | 180.0° |
| O10 | C10 | C11 | H111 | 0.0° | 180.0° |
| O10 | C10 | C11 | H113 | 120.0° | 59.9° |
| O10 | C10 | C11 | H112 | 120.0° | 60.0° |
| C5 | C6 | O6 | C7 | 124.6° | 120.0° |
| C5 | C6 | O6 | H6 | 118.9° | 120.0° |
| C5 | C6 | C7 | H6 | 121.9° | 120.0° |
| C5 | C6 | O6 | C2 | 60.2° | 61.2° |
| C5 | C6 | C7 | C8 | 170.8° | 175.0° |
| C5 | C6 | C7 | O7 | 62.7° | 55.0° |
| C6 | C5 | C4 | H4 | 73.1° | 63.0° |
| C5 | C6 | C7 | H7 | 53.9° | 65.0° |
| C6 | C5 | N5 | HN5 | 57.4° | 24.8° |
| C2 | C3 | FAI | H32 | 115.1° | 120.1° |
| C3 | C2 | O6 | C6 | 52.3° | 61.2° |
| C3 | C2 | O6 | FAJ | 118.7° | 120.0° |
| C2 | C3 | C4 | H4 | 78.8° | 63.0° |
| FAI | C3 | C2 | O6 | 84.9° | 62.3° |
| FAI | C3 | C2 | FAJ | 33.3° | 57.7° |
| FAI | C3 | C4 | H4 | 156.7° | 177.2° |
| O6 | C6 | C7 | H6 | 117.1° | 120.1° |
| C6 | O6 | C2 | FAJ | 170.9° | 178.8° |
| O6 | C6 | C7 | C8 | 68.2° | 55.0° |
| O6 | C6 | C7 | O7 | 58.3° | 65.0° |
| O6 | C6 | C7 | H7 | 174.9° | 175.0° |
| O6 | C6 | C5 | H5 | 65.1° | 62.3° |
| C7 | C6 | O6 | C2 | 175.2° | 178.8° |
| C6 | C7 | C8 | O7 | 123.8° | 120.0° |
| C6 | C7 | C8 | H7 | 117.1° | 120.0° |
| C6 | C7 | C8 | C9 | 137.2° | 175.0° |
| C6 | C7 | O7 | H7 | 115.9° | 120.0° |
| C6 | C7 | C8 | H8 | 101.9° | 55.1° |
| C6 | C7 | C8 | H8A | 16.4° | 65.0° |
| C6 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C7 | C6 | C5 | H5 | 53.2° | 57.7° |
| O6 | C2 | C3 | H32 | 158.7° | 177.6° |
| C2 | O6 | C6 | H6 | 58.7° | 58.8° |
| FAJ | C2 | C3 | H32 | 83.1° | 62.4° |
| C7 | C8 | C9 | H8 | 120.8° | 120.0° |
| C7 | C8 | C9 | H8A | 120.9° | 120.0° |
| C8 | C7 | O7 | H7 | 118.4° | 120.0° |
| C7 | C8 | C9 | O9 | 48.5° | 180.0° |
| C8 | C7 | C6 | H6 | 48.9° | 65.1° |
| C7 | C8 | H8 | H8A | 117.4° | 120.1° |
| C7 | C8 | C9 | H92 | 168.4° | 60.0° |
| C7 | C8 | C9 | H91 | 71.5° | 60.0° |
| C8 | C7 | O7 | HO7 | 54.3° | 60.0° |
| C9 | C8 | C7 | O7 | 13.4° | 65.0° |
| C8 | C9 | O9 | H92 | 120.0° | 120.0° |
| C8 | C9 | O9 | H91 | 120.0° | 120.0° |
| C9 | C8 | C7 | H7 | 105.7° | 55.0° |
| C9 | C8 | H8 | H8A | 117.4° | 120.0° |
| C8 | C9 | H92 | H91 | 120.1° | 120.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 179.9° |
| O7 | C7 | C6 | H6 | 175.5° | 174.9° |
| O7 | C7 | C8 | H8 | 134.3° | 175.0° |
| O7 | C7 | C8 | H8A | 107.4° | 54.9° |
| O9 | C9 | C8 | H8 | 72.4° | 60.0° |
| O9 | C9 | C8 | H8A | 169.3° | 60.0° |
| O9 | C9 | H92 | H91 | 120.1° | 120.0° |
| H32 | C3 | C4 | H4 | 38.8° | 57.0° |
| H4 | C4 | O4 | HO4 | 62.7° | 59.8° |
| H4 | C4 | C5 | H5 | 167.6° | 177.2° |
| H6 | C6 | C7 | H7 | 67.9° | 55.0° |
| H6 | C6 | C5 | H5 | 175.2° | 177.7° |
| H7 | C7 | C8 | H8 | 15.1° | 65.0° |
| H7 | C7 | C8 | H8A | 133.4° | 175.0° |
| H7 | C7 | O7 | HO7 | 64.1° | 180.0° |
| H8 | C8 | C9 | H92 | 47.6° | 180.0° |
| H8 | C8 | C9 | H91 | 167.6° | 60.0° |
| H8A | C8 | C9 | H92 | 70.7° | 60.0° |
| H8A | C8 | C9 | H91 | 49.3° | 180.0° |
| H92 | C9 | O9 | HO9 | 60.1° | 60.0° |
| H91 | C9 | O9 | HO9 | 60.0° | 60.0° |
| H5 | C5 | N5 | HN5 | 178.6° | 144.9° |
| H111 | C11 | H113 | H112 | 120.0° | 120.1° |
