SFJ
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 | 1.53Å | |
| O7 | C7 | sing | 1.43Å | 1.42Å | |
| O10 | C10 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | O8 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | N5 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| N5 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O6 | C2 | sing | 1.43Å | 1.44Å | |
| FAI | C3 | sing | 1.40Å | 1.39Å | |
| FAJ | C2 | sing | 1.40Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| O1A | C1 | doub | 1.21Å | 1.28Å | |
| C1 | O1B | sing | 1.34Å | 1.28Å | |
| 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 | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C9 | C8 | 108.9° | 109.4° |
| O9 | C9 | H92 | 109.6° | 109.4° |
| O9 | C9 | H91 | 109.6° | 109.4° |
| C9 | O9 | HO9 | 109.5° | 114.1° |
| C9 | C8 | C7 | 112.0° | 109.4° |
| C9 | C8 | O8 | 110.6° | 109.5° |
| C8 | C9 | H92 | 109.6° | 109.5° |
| C8 | C9 | H91 | 109.6° | 109.5° |
| C9 | C8 | H8 | 107.9° | 109.5° |
| O7 | C7 | C8 | 102.5° | 109.5° |
| O7 | C7 | C6 | 116.5° | 109.4° |
| O7 | C7 | H7 | 109.3° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| O10 | C10 | C11 | 121.4° | 120.0° |
| O10 | C10 | N5 | 122.1° | 120.0° |
| C7 | C8 | O8 | 109.4° | 109.5° |
| C8 | C7 | C6 | 112.7° | 109.4° |
| C8 | C7 | H7 | 107.9° | 109.5° |
| C7 | C8 | H8 | 107.9° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| O8 | C8 | H8 | 109.1° | 109.5° |
| C7 | C6 | C5 | 116.9° | 109.5° |
| C7 | C6 | O6 | 105.8° | 109.5° |
| C6 | C7 | H7 | 107.6° | 109.5° |
| C7 | C6 | H6 | 107.1° | 109.4° |
| C11 | C10 | N5 | 116.5° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | N5 | C5 | 116.4° | 120.0° |
| C10 | N5 | HN5 | 121.8° | 120.0° |
| C5 | C6 | O6 | 110.7° | 109.4° |
| C6 | C5 | N5 | 111.8° | 109.6° |
| C6 | C5 | C4 | 108.9° | 109.2° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | H6 | 107.3° | 109.5° |
| C6 | O6 | C2 | 122.6° | 114.1° |
| O6 | C6 | H6 | 108.6° | 109.5° |
| N5 | C5 | C4 | 109.0° | 109.5° |
| N5 | C5 | H5 | 109.6° | 109.5° |
| C5 | N5 | HN5 | 121.8° | 119.9° |
| C5 | C4 | C3 | 106.4° | 109.0° |
| C5 | C4 | O4 | 113.8° | 109.6° |
| C5 | C4 | H4 | 107.8° | 109.6° |
| C4 | C5 | H5 | 108.7° | 109.6° |
| O6 | C2 | FAJ | 108.3° | 109.5° |
| O6 | C2 | C3 | 110.4° | 109.4° |
| O6 | C2 | C1 | 104.6° | 109.5° |
| FAI | C3 | C2 | 110.9° | 109.6° |
| FAI | C3 | C4 | 110.3° | 109.6° |
| FAI | C3 | H32 | 109.3° | 109.5° |
| FAJ | C2 | C3 | 111.2° | 109.5° |
| FAJ | C2 | C1 | 109.4° | 109.4° |
| C3 | C2 | C1 | 112.8° | 109.5° |
| C2 | C3 | C4 | 111.8° | 109.2° |
| C2 | C3 | H32 | 107.1° | 109.5° |
| C2 | C1 | O1A | 115.4° | 120.0° |
| C2 | C1 | O1B | 119.9° | 120.0° |
| C3 | C4 | O4 | 111.8° | 109.5° |
| C3 | C4 | H4 | 107.8° | 109.5° |
| C4 | C3 | H32 | 107.3° | 109.5° |
| O4 | C4 | H4 | 108.9° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O1A | C1 | O1B | 124.7° | 119.9° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.4° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C9 | C8 | H92 | 119.9° | 120.0° |
| O9 | C9 | C8 | H91 | 119.9° | 120.0° |
| O9 | C9 | C8 | C7 | 168.6° | 175.0° |
| O9 | C9 | C8 | O8 | 46.4° | 65.0° |
| O9 | C9 | H92 | H91 | 120.2° | 120.0° |
| O9 | C9 | C8 | H8 | 72.9° | 55.1° |
| C9 | C8 | C7 | O7 | 67.0° | 60.0° |
| C9 | C8 | C7 | O8 | 122.9° | 120.0° |
| C9 | C8 | C7 | H8 | 118.5° | 120.0° |
| C9 | C8 | O8 | H8 | 118.5° | 120.0° |
| C9 | C8 | C7 | C6 | 166.9° | 180.0° |
| C8 | C9 | H92 | H91 | 120.3° | 120.1° |
| C9 | C8 | C7 | H7 | 48.3° | 60.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| C9 | C8 | O8 | HO8 | 180.0° | 59.9° |
| O7 | C7 | C8 | C6 | 126.1° | 119.9° |
| O7 | C7 | C8 | H7 | 115.3° | 120.0° |
| O7 | C7 | C8 | O8 | 170.1° | 180.0° |
| O7 | C7 | C6 | H7 | 123.1° | 120.0° |
| O7 | C7 | C6 | C5 | 50.4° | 55.0° |
| O7 | C7 | C6 | O6 | 73.4° | 64.9° |
| O7 | C7 | C6 | H6 | 170.8° | 175.0° |
| O7 | C7 | C8 | H8 | 51.5° | 59.9° |
| O10 | C10 | C11 | N5 | 178.0° | 180.0° |
| O10 | C10 | N5 | C5 | 34.7° | 0.0° |
| O10 | C10 | C11 | H111 | 0.0° | 180.0° |
| O10 | C10 | C11 | H113 | 120.0° | 60.0° |
| O10 | C10 | C11 | H112 | 120.0° | 60.0° |
| O10 | C10 | N5 | HN5 | 145.3° | 179.9° |
| C7 | C8 | O8 | H8 | 117.8° | 120.0° |
| C8 | C7 | C6 | H7 | 118.8° | 120.0° |
| C8 | C7 | C6 | C5 | 168.5° | 175.0° |
| C8 | C7 | C6 | O6 | 44.7° | 55.0° |
| C7 | C8 | C9 | H92 | 48.6° | 65.0° |
| C7 | C8 | C9 | H91 | 71.5° | 55.0° |
| C8 | C7 | C6 | H6 | 71.1° | 65.0° |
| C7 | C8 | O8 | HO8 | 56.2° | 60.0° |
| C8 | C7 | O7 | HO7 | 164.0° | 59.9° |
| O8 | C8 | C7 | C6 | 44.0° | 60.0° |
| O8 | C8 | C9 | H92 | 73.6° | 54.9° |
| O8 | C8 | C9 | H91 | 166.3° | 175.0° |
| O8 | C8 | C7 | H7 | 74.6° | 60.0° |
| C7 | C6 | C5 | O6 | 121.3° | 120.0° |
| C7 | C6 | C5 | H6 | 120.3° | 120.0° |
| C7 | C6 | O6 | H6 | 114.8° | 120.0° |
| C7 | C6 | C5 | N5 | 63.5° | 62.4° |
| C7 | C6 | C5 | C4 | 175.9° | 177.6° |
| C7 | C6 | O6 | C2 | 172.2° | 178.8° |
| C7 | C6 | C5 | H5 | 57.6° | 57.7° |
| C6 | C7 | O7 | HO7 | 72.4° | 60.0° |
| C6 | C7 | C8 | H8 | 74.5° | 60.0° |
| C11 | C10 | N5 | C5 | 143.2° | 180.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| C11 | C10 | N5 | HN5 | 36.7° | 0.0° |
| C10 | N5 | C5 | C6 | 102.3° | 155.3° |
| C10 | N5 | C5 | HN5 | 180.0° | 179.9° |
| C10 | N5 | C5 | C4 | 137.1° | 85.0° |
| N5 | C10 | C11 | H111 | 177.9° | 0.0° |
| N5 | C10 | C11 | H113 | 58.0° | 120.0° |
| N5 | C10 | C11 | H112 | 62.0° | 120.0° |
| C10 | N5 | C5 | H5 | 18.2° | 35.2° |
| C5 | C6 | O6 | H6 | 117.6° | 120.0° |
| C6 | C5 | N5 | C4 | 120.5° | 119.8° |
| C6 | C5 | N5 | H5 | 120.6° | 120.1° |
| C6 | C5 | C4 | H5 | 118.3° | 119.9° |
| C5 | C6 | O6 | C2 | 44.6° | 61.1° |
| C6 | C5 | C4 | C3 | 64.2° | 57.0° |
| C6 | C5 | C4 | O4 | 172.3° | 176.8° |
| C5 | C6 | C7 | H7 | 72.7° | 65.0° |
| C6 | C5 | C4 | H4 | 51.3° | 62.9° |
| C6 | C5 | N5 | HN5 | 77.7° | 24.8° |
| O6 | C6 | C5 | N5 | 175.2° | 177.6° |
| O6 | C6 | C5 | C4 | 54.6° | 57.6° |
| C6 | O6 | C2 | FAJ | 162.3° | 178.8° |
| C6 | O6 | C2 | C3 | 40.4° | 61.1° |
| C6 | O6 | C2 | C1 | 81.2° | 58.8° |
| O6 | C6 | C7 | H7 | 163.5° | 175.0° |
| O6 | C6 | C5 | H5 | 63.7° | 62.3° |
| N5 | C5 | C4 | H5 | 119.4° | 120.1° |
| N5 | C5 | C4 | C3 | 173.6° | 177.0° |
| N5 | C5 | C4 | O4 | 50.0° | 63.2° |
| N5 | C5 | C4 | H4 | 71.0° | 57.1° |
| N5 | C5 | C6 | H6 | 56.8° | 57.6° |
| C5 | C4 | C3 | FAI | 62.5° | 63.0° |
| C5 | C4 | C3 | C2 | 61.4° | 57.0° |
| C5 | C4 | C3 | O4 | 124.8° | 119.9° |
| C5 | C4 | C3 | H4 | 115.5° | 119.9° |
| C5 | C4 | O4 | H4 | 120.4° | 120.3° |
| C5 | C4 | C3 | H32 | 178.5° | 176.9° |
| C4 | C5 | C6 | H6 | 63.8° | 62.4° |
| C4 | C5 | N5 | HN5 | 42.9° | 95.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.5° |
| O6 | C2 | C3 | FAI | 76.0° | 62.4° |
| O6 | C2 | FAJ | C3 | 121.4° | 120.0° |
| O6 | C2 | FAJ | C1 | 113.4° | 120.0° |
| O6 | C2 | C3 | C1 | 116.6° | 120.0° |
| O6 | C2 | C3 | C4 | 47.6° | 57.6° |
| O6 | C2 | C1 | O1A | 34.8° | 16.4° |
| O6 | C2 | C1 | O1B | 144.9° | 163.6° |
| O6 | C2 | C3 | H32 | 164.9° | 177.5° |
| C2 | O6 | C6 | H6 | 73.0° | 58.8° |
| FAI | C3 | C2 | FAJ | 44.2° | 57.7° |
| FAI | C3 | C2 | C4 | 123.6° | 120.0° |
| FAI | C3 | C2 | H32 | 119.1° | 120.1° |
| FAI | C3 | C2 | C1 | 167.4° | 177.7° |
| FAI | C3 | C4 | H32 | 118.9° | 120.1° |
| FAI | C3 | C4 | O4 | 62.3° | 56.9° |
| FAI | C3 | C4 | H4 | 178.0° | 177.1° |
| FAJ | C2 | C3 | C1 | 123.3° | 120.0° |
| FAJ | C2 | C3 | C4 | 167.7° | 177.7° |
| FAJ | C2 | C1 | O1A | 80.9° | 103.7° |
| FAJ | C2 | C1 | O1B | 99.3° | 76.3° |
| FAJ | C2 | C3 | H32 | 75.0° | 62.5° |
| C2 | C3 | C4 | H32 | 117.1° | 119.9° |
| C2 | C3 | C4 | O4 | 173.8° | 176.8° |
| C3 | C2 | C1 | O1A | 154.8° | 136.3° |
| C3 | C2 | C1 | O1B | 24.9° | 43.7° |
| C2 | C3 | C4 | H4 | 54.1° | 62.9° |
| C1 | C2 | C3 | C4 | 69.0° | 62.4° |
| C2 | C1 | O1A | O1B | 179.7° | 180.0° |
| C1 | C2 | C3 | H32 | 48.3° | 57.5° |
| C2 | C1 | O1B | HO1B | 179.8° | 180.0° |
| C3 | C4 | O4 | H4 | 119.1° | 120.2° |
| C3 | C4 | C5 | H5 | 54.1° | 62.9° |
| C3 | C4 | O4 | HO4 | 59.4° | 60.0° |
| O4 | C4 | C3 | H32 | 56.7° | 63.3° |
| O4 | C4 | C5 | H5 | 69.4° | 56.9° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
| H111 | C11 | H113 | H112 | 120.0° | 120.1° |
| H92 | C9 | O9 | HO9 | 60.1° | 60.0° |
| H92 | C9 | C8 | H8 | 167.2° | 175.0° |
| H91 | C9 | O9 | HO9 | 60.1° | 60.0° |
| H91 | C9 | C8 | H8 | 47.0° | 64.9° |
| H7 | C7 | C6 | H6 | 47.7° | 55.0° |
| H7 | C7 | O7 | HO7 | 49.8° | 180.0° |
| H7 | C7 | C8 | H8 | 166.8° | 180.0° |
| H4 | C4 | C3 | H32 | 63.1° | 56.9° |
| H4 | C4 | C5 | H5 | 169.6° | 177.2° |
| H4 | C4 | O4 | HO4 | 59.6° | 60.2° |
| H5 | C5 | C6 | H6 | 177.9° | 177.7° |
| H5 | C5 | N5 | HN5 | 161.8° | 144.9° |
| HO8 | O8 | C8 | H8 | 61.5° | 180.0° |
