SLB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C1 | O1A | doub | 1.21Å | 1.21Å | |
| C1 | O1B | sing | 1.34Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | O6 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N5 | sing | 1.46Å | 1.48Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.42Å | 1.41Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | O8 | sing | 1.43Å | 1.41Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | O9 | sing | 1.43Å | 1.41Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | N5 | sing | 1.35Å | 1.31Å | |
| C10 | O10 | doub | 1.21Å | 1.20Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1A | 120.5° | 120.0° |
| C2 | C1 | O1B | 117.0° | 120.1° |
| C1 | C2 | C3 | 114.5° | 109.5° |
| C1 | C2 | O2 | 104.2° | 109.3° |
| C1 | C2 | O6 | 101.8° | 109.4° |
| O1A | C1 | O1B | 122.4° | 119.9° |
| C1 | O1B | HO1B | 117.0° | 120.0° |
| C3 | C2 | O2 | 109.4° | 109.4° |
| C3 | C2 | O6 | 111.9° | 109.9° |
| C2 | C3 | C4 | 108.8° | 109.0° |
| C2 | C3 | H32 | 112.4° | 109.5° |
| C2 | C3 | H31 | 112.4° | 109.5° |
| O2 | C2 | O6 | 114.8° | 109.4° |
| C2 | O2 | HO2 | 104.3° | 106.8° |
| C2 | O6 | C6 | 117.6° | 107.7° |
| C4 | C3 | H32 | 112.5° | 109.6° |
| C4 | C3 | H31 | 112.5° | 109.6° |
| C3 | C4 | C5 | 111.9° | 108.7° |
| C3 | C4 | O4 | 103.2° | 109.7° |
| C3 | C4 | H4 | 114.0° | 109.6° |
| H32 | C3 | H31 | 98.0° | 109.6° |
| C5 | C4 | O4 | 114.7° | 109.6° |
| C5 | C4 | H4 | 102.3° | 109.6° |
| C4 | C5 | C6 | 107.6° | 109.1° |
| C4 | C5 | N5 | 120.1° | 109.5° |
| C4 | C5 | H5 | 102.3° | 109.6° |
| O4 | C4 | H4 | 111.2° | 109.6° |
| C4 | O4 | HO4 | 103.2° | 106.8° |
| C6 | C5 | N5 | 105.8° | 109.6° |
| C6 | C5 | H5 | 117.5° | 109.5° |
| C5 | C6 | C7 | 110.3° | 109.4° |
| C5 | C6 | O6 | 113.4° | 109.9° |
| C5 | C6 | H6 | 105.5° | 109.3° |
| N5 | C5 | H5 | 104.3° | 109.5° |
| C5 | N5 | C10 | 112.2° | 120.1° |
| C5 | N5 | HN5 | 129.0° | 120.0° |
| C7 | C6 | O6 | 107.0° | 109.4° |
| C7 | C6 | H6 | 112.0° | 109.4° |
| C6 | C7 | C8 | 106.8° | 109.5° |
| C6 | C7 | O7 | 110.5° | 109.5° |
| C6 | C7 | H7 | 111.5° | 109.5° |
| O6 | C6 | H6 | 108.7° | 109.5° |
| C8 | C7 | O7 | 112.2° | 109.4° |
| C8 | C7 | H7 | 109.8° | 109.5° |
| C7 | C8 | C9 | 115.3° | 109.5° |
| C7 | C8 | O8 | 113.9° | 109.4° |
| C7 | C8 | H8 | 100.2° | 109.5° |
| O7 | C7 | H7 | 106.1° | 109.5° |
| C7 | O7 | HO7 | 110.5° | 106.8° |
| C9 | C8 | O8 | 102.5° | 109.5° |
| C9 | C8 | H8 | 112.0° | 109.5° |
| C8 | C9 | O9 | 110.5° | 109.5° |
| C8 | C9 | H92 | 111.8° | 109.4° |
| C8 | C9 | H91 | 111.8° | 109.5° |
| O8 | C8 | H8 | 113.5° | 109.5° |
| C8 | O8 | HO8 | 113.8° | 106.8° |
| O9 | C9 | H92 | 111.8° | 109.5° |
| O9 | C9 | H91 | 111.8° | 109.5° |
| C9 | O9 | HO9 | 110.5° | 106.8° |
| H92 | C9 | H91 | 98.7° | 109.5° |
| C11 | C10 | N5 | 120.8° | 120.0° |
| C11 | C10 | O10 | 120.0° | 120.0° |
| C10 | C11 | H111 | 120.8° | 109.4° |
| C10 | C11 | H113 | 108.1° | 109.5° |
| C10 | C11 | H112 | 108.2° | 109.5° |
| N5 | C10 | O10 | 118.7° | 119.9° |
| C10 | N5 | HN5 | 118.8° | 119.9° |
| H111 | C11 | H113 | 108.2° | 109.4° |
| H111 | C11 | H112 | 108.2° | 109.5° |
| H113 | C11 | H112 | 101.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1A | O1B | 177.1° | 179.9° |
| C1 | C2 | C3 | O2 | 116.5° | 119.8° |
| C1 | C2 | C3 | O6 | 115.2° | 120.1° |
| C1 | C2 | O2 | O6 | 110.5° | 119.8° |
| C1 | C2 | C3 | C4 | 168.3° | 178.7° |
| C1 | C2 | C3 | H32 | 43.1° | 58.8° |
| C1 | C2 | C3 | H31 | 66.4° | 61.5° |
| C1 | C2 | O6 | C6 | 176.0° | 172.3° |
| C2 | C1 | O1B | HO1B | 180.0° | 179.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
| O1A | C1 | C2 | C3 | 46.6° | 120.0° |
| O1A | C1 | C2 | O2 | 72.8° | 120.2° |
| O1A | C1 | C2 | O6 | 167.5° | 0.4° |
| O1A | C1 | O1B | HO1B | 2.8° | 0.1° |
| O1B | C1 | C2 | C3 | 136.2° | 59.9° |
| O1B | C1 | C2 | O2 | 104.4° | 60.0° |
| O1B | C1 | C2 | O6 | 15.3° | 179.7° |
| C3 | C2 | O2 | O6 | 126.7° | 120.4° |
| C2 | C3 | C4 | H32 | 125.2° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 119.8° |
| C2 | C3 | H32 | H31 | 118.3° | 120.1° |
| C2 | C3 | C4 | C5 | 56.5° | 53.7° |
| C2 | C3 | C4 | O4 | 179.6° | 173.5° |
| C2 | C3 | C4 | H4 | 58.9° | 66.1° |
| C3 | C2 | O6 | C6 | 53.3° | 67.5° |
| C3 | C2 | O2 | HO2 | 57.2° | 180.0° |
| O2 | C2 | C3 | C4 | 75.1° | 58.9° |
| O2 | C2 | C3 | H32 | 159.6° | 61.0° |
| O2 | C2 | C3 | H31 | 50.1° | 178.7° |
| O2 | C2 | O6 | C6 | 72.0° | 52.6° |
| O6 | C2 | C3 | C4 | 53.2° | 61.2° |
| O6 | C2 | C3 | H32 | 72.1° | 178.9° |
| O6 | C2 | C3 | H31 | 178.5° | 58.7° |
| C2 | O6 | C6 | C5 | 52.8° | 67.4° |
| C2 | O6 | C6 | C7 | 174.7° | 172.4° |
| C2 | O6 | C6 | H6 | 64.1° | 52.6° |
| O6 | C2 | O2 | HO2 | 69.5° | 59.6° |
| C4 | C3 | H32 | H31 | 118.4° | 120.3° |
| C3 | C4 | C5 | O4 | 117.1° | 119.9° |
| C3 | C4 | C5 | H4 | 122.4° | 119.7° |
| C3 | C4 | O4 | H4 | 122.6° | 120.4° |
| C3 | C4 | C5 | C6 | 54.7° | 53.6° |
| C3 | C4 | C5 | N5 | 175.6° | 173.6° |
| C3 | C4 | C5 | H5 | 69.7° | 66.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.6° |
| H32 | C3 | C4 | C5 | 68.7° | 173.6° |
| H32 | C3 | C4 | O4 | 55.1° | 66.6° |
| H32 | C3 | C4 | H4 | 175.8° | 53.8° |
| H31 | C3 | C4 | C5 | 178.2° | 66.1° |
| H31 | C3 | C4 | O4 | 54.4° | 53.7° |
| H31 | C3 | C4 | H4 | 66.3° | 174.1° |
| C5 | C4 | O4 | H4 | 115.4° | 120.3° |
| C4 | C5 | C6 | N5 | 129.5° | 119.9° |
| C4 | C5 | C6 | H5 | 114.7° | 119.9° |
| C4 | C5 | N5 | H5 | 113.7° | 120.2° |
| C4 | C5 | C6 | C7 | 171.0° | 178.7° |
| C4 | C5 | C6 | O6 | 50.9° | 61.2° |
| C4 | C5 | C6 | H6 | 67.9° | 59.0° |
| C4 | C5 | N5 | C10 | 95.7° | 90.2° |
| C4 | C5 | N5 | HN5 | 84.3° | 89.8° |
| C5 | C4 | O4 | HO4 | 58.0° | 179.9° |
| O4 | C4 | C5 | C6 | 171.8° | 173.6° |
| O4 | C4 | C5 | N5 | 67.3° | 66.5° |
| O4 | C4 | C5 | H5 | 47.4° | 53.7° |
| H4 | C4 | C5 | C6 | 67.7° | 66.1° |
| H4 | C4 | C5 | N5 | 53.2° | 53.8° |
| H4 | C4 | C5 | H5 | 167.9° | 174.0° |
| H4 | C4 | O4 | HO4 | 57.4° | 59.7° |
| C6 | C5 | N5 | H5 | 124.5° | 120.2° |
| C5 | C6 | C7 | O6 | 123.8° | 120.4° |
| C5 | C6 | C7 | H6 | 117.1° | 119.7° |
| C5 | C6 | O6 | H6 | 117.0° | 120.0° |
| C5 | C6 | C7 | C8 | 166.2° | 179.6° |
| C5 | C6 | C7 | O7 | 71.6° | 60.4° |
| C5 | C6 | C7 | H7 | 46.2° | 59.6° |
| C6 | C5 | N5 | C10 | 142.5° | 150.2° |
| C6 | C5 | N5 | HN5 | 37.5° | 29.8° |
| N5 | C5 | C6 | C7 | 59.5° | 58.8° |
| N5 | C5 | C6 | O6 | 179.6° | 178.9° |
| N5 | C5 | C6 | H6 | 61.6° | 60.9° |
| C5 | N5 | C10 | C11 | 120.3° | 180.0° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C10 | O10 | 51.5° | 0.0° |
| H5 | C5 | C6 | C7 | 56.3° | 61.4° |
| H5 | C5 | C6 | O6 | 63.8° | 58.7° |
| H5 | C5 | C6 | H6 | 177.4° | 178.9° |
| H5 | C5 | N5 | C10 | 18.0° | 30.0° |
| H5 | C5 | N5 | HN5 | 162.0° | 150.0° |
| C7 | C6 | O6 | H6 | 121.2° | 119.8° |
| C6 | C7 | C8 | O7 | 121.2° | 120.0° |
| C6 | C7 | C8 | H7 | 121.1° | 120.0° |
| C6 | C7 | O7 | H7 | 121.0° | 120.1° |
| C6 | C7 | C8 | C9 | 92.5° | 180.0° |
| C6 | C7 | C8 | O8 | 149.5° | 60.0° |
| C6 | C7 | C8 | H8 | 27.9° | 60.0° |
| C6 | C7 | O7 | HO7 | 180.0° | 59.9° |
| O6 | C6 | C7 | C8 | 70.0° | 60.0° |
| O6 | C6 | C7 | O7 | 52.3° | 60.0° |
| O6 | C6 | C7 | H7 | 170.0° | 180.0° |
| H6 | C6 | C7 | C8 | 49.1° | 59.9° |
| H6 | C6 | C7 | O7 | 171.3° | 179.9° |
| H6 | C6 | C7 | H7 | 70.9° | 60.1° |
| C8 | C7 | O7 | H7 | 119.9° | 120.0° |
| C7 | C8 | C9 | O8 | 124.2° | 119.9° |
| C7 | C8 | C9 | H8 | 113.7° | 120.0° |
| C7 | C8 | O8 | H8 | 113.8° | 120.0° |
| C7 | C8 | C9 | O9 | 80.7° | 180.0° |
| C7 | C8 | C9 | H92 | 44.6° | 60.1° |
| C7 | C8 | C9 | H91 | 154.1° | 60.0° |
| C8 | C7 | O7 | HO7 | 61.0° | 60.1° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
| O7 | C7 | C8 | C9 | 28.7° | 60.0° |
| O7 | C7 | C8 | O8 | 89.4° | 180.0° |
| O7 | C7 | C8 | H8 | 149.1° | 60.0° |
| H7 | C7 | C8 | C9 | 146.4° | 59.9° |
| H7 | C7 | C8 | O8 | 28.4° | 60.0° |
| H7 | C7 | C8 | H8 | 93.2° | 180.0° |
| H7 | C7 | O7 | HO7 | 59.0° | 180.0° |
| C9 | C8 | O8 | H8 | 121.0° | 120.1° |
| C8 | C9 | O9 | H92 | 125.2° | 119.9° |
| C8 | C9 | O9 | H91 | 125.2° | 120.1° |
| C8 | C9 | H92 | H91 | 117.8° | 120.0° |
| C9 | C8 | O8 | HO8 | 54.9° | 59.9° |
| C8 | C9 | O9 | HO9 | 180.0° | 179.9° |
| O8 | C8 | C9 | O9 | 155.1° | 60.0° |
| O8 | C8 | C9 | H92 | 79.7° | 180.0° |
| O8 | C8 | C9 | H91 | 29.9° | 60.0° |
| H8 | C8 | C9 | O9 | 33.1° | 60.0° |
| H8 | C8 | C9 | H92 | 158.3° | 60.0° |
| H8 | C8 | C9 | H91 | 92.2° | NaN° |
| H8 | C8 | O8 | HO8 | 66.1° | 180.0° |
| O9 | C9 | H92 | H91 | 117.8° | 120.0° |
| H92 | C9 | O9 | HO9 | 54.8° | 60.0° |
| H91 | C9 | O9 | HO9 | 54.8° | 60.0° |
| C11 | C10 | N5 | O10 | 171.9° | 180.0° |
| C10 | C11 | H111 | H113 | 125.3° | 119.9° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H113 | H112 | 113.8° | 120.1° |
| C11 | C10 | N5 | HN5 | 59.7° | 0.0° |
| N5 | C10 | C11 | H111 | 180.0° | 180.0° |
| N5 | C10 | C11 | H113 | 54.7° | 60.1° |
| N5 | C10 | C11 | H112 | 54.7° | 60.0° |
| O10 | C10 | C11 | H111 | 8.3° | 0.0° |
| O10 | C10 | C11 | H113 | 117.1° | 120.0° |
| O10 | C10 | C11 | H112 | 133.5° | 119.9° |
| O10 | C10 | N5 | HN5 | 128.4° | 180.0° |
| H111 | C11 | H113 | H112 | 113.8° | 120.0° |
