SLM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | O1A | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | O6 | sing | 1.43Å | 1.38Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | N5 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | O8 | sing | 1.43Å | 1.45Å | |
| C9 | O9 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | N5 | sing | 1.35Å | 1.32Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| N1 | H12N | sing | 0.97Å | 1.00Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| 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) |
| C2 | C1 | O1A | 119.7° | 119.9° |
| C2 | C1 | N1 | 115.5° | 120.0° |
| C1 | C2 | C3 | 109.6° | 109.5° |
| C1 | C2 | O2 | 109.0° | 109.5° |
| C1 | C2 | O6 | 105.6° | 109.5° |
| O1A | C1 | N1 | 124.7° | 120.0° |
| C1 | N1 | H11N | 109.2° | 120.0° |
| C1 | N1 | H12N | 125.4° | 120.1° |
| C3 | C2 | O2 | 110.8° | 109.5° |
| C3 | C2 | O6 | 109.3° | 109.4° |
| C2 | C3 | C4 | 110.3° | 109.2° |
| C2 | C3 | H32 | 109.2° | 109.5° |
| C2 | C3 | H31 | 109.0° | 109.5° |
| O2 | C2 | O6 | 112.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | O6 | C6 | 115.6° | 114.1° |
| C3 | C4 | C5 | 108.2° | 109.0° |
| C3 | C4 | O4 | 109.2° | 109.6° |
| C4 | C3 | H32 | 109.2° | 109.5° |
| C4 | C3 | H31 | 109.1° | 109.5° |
| C3 | C4 | H4 | 111.6° | 109.5° |
| C5 | C4 | O4 | 112.7° | 109.6° |
| C4 | C5 | C6 | 107.9° | 109.2° |
| C4 | C5 | N5 | 111.5° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.5° |
| C4 | C5 | H5 | 109.4° | 109.5° |
| O4 | C4 | H4 | 107.1° | 109.7° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | N5 | 110.2° | 109.5° |
| C5 | C6 | C7 | 115.1° | 109.5° |
| C5 | C6 | O6 | 107.9° | 109.4° |
| C6 | C5 | H5 | 110.8° | 109.6° |
| C5 | C6 | H6 | 106.5° | 109.5° |
| C5 | N5 | C10 | 123.1° | 120.0° |
| N5 | C5 | H5 | 107.0° | 109.5° |
| C5 | N5 | HN5 | 118.5° | 120.0° |
| C7 | C6 | O6 | 108.7° | 109.5° |
| C6 | C7 | C8 | 111.1° | 109.5° |
| C6 | C7 | O7 | 111.3° | 109.5° |
| C7 | C6 | H6 | 105.6° | 109.5° |
| C6 | C7 | H7 | 106.7° | 109.5° |
| O6 | C6 | H6 | 113.1° | 109.5° |
| C8 | C7 | O7 | 108.4° | 109.5° |
| C7 | C8 | C9 | 111.1° | 109.5° |
| C7 | C8 | O8 | 110.1° | 109.5° |
| C8 | C7 | H7 | 109.7° | 109.5° |
| C7 | C8 | H8 | 108.4° | 109.5° |
| O7 | C7 | H7 | 109.5° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C9 | C8 | O8 | 111.1° | 109.5° |
| C8 | C9 | O9 | 117.0° | 109.5° |
| C9 | C8 | H8 | 107.5° | 109.4° |
| C8 | C9 | H92 | 107.1° | 109.5° |
| C8 | C9 | H91 | 105.3° | 109.4° |
| O8 | C8 | H8 | 108.5° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| O9 | C9 | H92 | 107.0° | 109.5° |
| O9 | C9 | H91 | 105.3° | 109.5° |
| C9 | O9 | HO9 | 109.5° | 114.1° |
| C11 | C10 | N5 | 115.2° | 120.0° |
| C11 | C10 | O10 | 120.6° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| N5 | C10 | O10 | 124.2° | 120.0° |
| C10 | N5 | HN5 | 118.5° | 120.0° |
| H11N | N1 | H12N | 125.4° | 119.9° |
| H32 | C3 | H31 | 110.1° | 109.5° |
| H92 | C9 | H91 | 115.5° | 109.4° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1A | N1 | 179.3° | 179.8° |
| C1 | C2 | C3 | O2 | 120.3° | 120.0° |
| C1 | C2 | C3 | O6 | 115.3° | 120.0° |
| C1 | C2 | O2 | O6 | 116.8° | 120.1° |
| C1 | C2 | C3 | C4 | 169.4° | 177.6° |
| C1 | C2 | O6 | C6 | 176.4° | 178.9° |
| C2 | C1 | N1 | H11N | 0.3° | 0.1° |
| C2 | C1 | N1 | H12N | 179.7° | 180.0° |
| C1 | C2 | C3 | H32 | 49.4° | 57.7° |
| C1 | C2 | C3 | H31 | 70.9° | 62.4° |
| C1 | C2 | O2 | HO2 | 126.1° | 60.0° |
| O1A | C1 | C2 | C3 | 102.8° | 125.0° |
| O1A | C1 | C2 | O2 | 18.6° | 115.0° |
| O1A | C1 | C2 | O6 | 139.6° | 5.0° |
| O1A | C1 | N1 | H11N | 179.5° | 179.7° |
| O1A | C1 | N1 | H12N | 0.4° | 0.2° |
| N1 | C1 | C2 | C3 | 76.5° | 55.2° |
| N1 | C1 | C2 | O2 | 162.1° | 64.8° |
| N1 | C1 | C2 | O6 | 41.1° | 175.2° |
| C1 | N1 | H11N | H12N | 180.0° | 180.0° |
| C3 | C2 | O2 | O6 | 122.6° | 119.9° |
| C2 | C3 | C4 | H32 | 120.0° | 119.9° |
| C2 | C3 | C4 | H31 | 119.7° | 119.9° |
| C2 | C3 | C4 | C5 | 56.6° | 56.9° |
| C2 | C3 | C4 | O4 | 179.6° | 176.8° |
| C3 | C2 | O6 | C6 | 58.6° | 61.1° |
| C2 | C3 | H32 | H31 | 119.7° | 120.1° |
| C3 | C2 | O2 | HO2 | 113.2° | 180.0° |
| C2 | C3 | C4 | H4 | 62.2° | 62.9° |
| O2 | C2 | C3 | C4 | 70.3° | 62.4° |
| O2 | C2 | O6 | C6 | 64.8° | 58.8° |
| O2 | C2 | C3 | H32 | 169.7° | 177.7° |
| O2 | C2 | C3 | H31 | 49.4° | 57.6° |
| O6 | C2 | C3 | C4 | 54.1° | 57.6° |
| C2 | O6 | C6 | C5 | 62.9° | 61.1° |
| C2 | O6 | C6 | C7 | 171.6° | 178.9° |
| O6 | C2 | C3 | H32 | 65.9° | 62.4° |
| O6 | C2 | C3 | H31 | 173.8° | 177.5° |
| O6 | C2 | O2 | HO2 | 9.4° | 60.0° |
| C2 | O6 | C6 | H6 | 54.6° | 58.9° |
| C3 | C4 | C5 | O4 | 120.8° | 119.9° |
| C3 | C4 | C5 | H4 | 121.0° | 119.8° |
| C3 | C4 | O4 | H4 | 121.0° | 120.2° |
| C3 | C4 | C5 | C6 | 60.2° | 57.0° |
| C3 | C4 | C5 | N5 | 178.6° | 176.9° |
| C4 | C3 | H32 | H31 | 119.7° | 120.1° |
| C3 | C4 | C5 | H5 | 60.3° | 63.0° |
| C3 | C4 | O4 | HO4 | 166.0° | 60.1° |
| C5 | C4 | O4 | H4 | 118.7° | 120.2° |
| C4 | C5 | C6 | N5 | 122.0° | 119.9° |
| C4 | C5 | C6 | H5 | 119.8° | 119.9° |
| C4 | C5 | N5 | H5 | 119.7° | 120.1° |
| C4 | C5 | C6 | C7 | 177.2° | 177.6° |
| C4 | C5 | C6 | O6 | 61.2° | 57.6° |
| C4 | C5 | N5 | C10 | 111.5° | 85.0° |
| C5 | C4 | C3 | H32 | 63.4° | 63.0° |
| C5 | C4 | C3 | H31 | 176.3° | 176.9° |
| C5 | C4 | O4 | HO4 | 73.7° | 179.6° |
| C4 | C5 | C6 | H6 | 60.5° | 62.4° |
| C4 | C5 | N5 | HN5 | 68.5° | 95.0° |
| O4 | C4 | C5 | C6 | 178.9° | 176.8° |
| O4 | C4 | C5 | N5 | 57.8° | 63.2° |
| O4 | C4 | C3 | H32 | 59.5° | 56.9° |
| O4 | C4 | C3 | H31 | 60.8° | 63.2° |
| O4 | C4 | C5 | H5 | 60.5° | 56.9° |
| C6 | C5 | N5 | H5 | 120.5° | 120.2° |
| C5 | C6 | C7 | O6 | 121.2° | 120.0° |
| C5 | C6 | C7 | H6 | 117.2° | 120.0° |
| C5 | C6 | O6 | H6 | 117.5° | 120.0° |
| C5 | C6 | C7 | C8 | 180.0° | 175.0° |
| C5 | C6 | C7 | O7 | 59.0° | 55.0° |
| C6 | C5 | N5 | C10 | 128.7° | 155.3° |
| C6 | C5 | C4 | H4 | 60.8° | 62.8° |
| C6 | C5 | N5 | HN5 | 51.3° | 24.7° |
| C5 | C6 | C7 | H7 | 60.4° | 65.0° |
| N5 | C5 | C6 | C7 | 55.2° | 62.5° |
| N5 | C5 | C6 | O6 | 176.8° | 177.5° |
| C5 | N5 | C10 | C11 | 177.2° | 180.0° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C10 | O10 | 1.0° | 0.0° |
| N5 | C5 | C4 | H4 | 60.4° | 57.1° |
| N5 | C5 | C6 | H6 | 61.5° | 57.6° |
| C7 | C6 | O6 | H6 | 117.0° | 120.0° |
| C6 | C7 | C8 | O7 | 122.7° | 120.0° |
| C6 | C7 | C8 | H7 | 117.8° | 120.0° |
| C6 | C7 | O7 | H7 | 117.8° | 120.0° |
| C6 | C7 | C8 | C9 | 176.8° | 180.0° |
| C6 | C7 | C8 | O8 | 53.3° | 60.0° |
| C7 | C6 | C5 | H5 | 63.1° | 57.7° |
| C6 | C7 | C8 | H8 | 65.3° | 60.0° |
| C6 | C7 | O7 | HO7 | 15.9° | 60.0° |
| O6 | C6 | C7 | C8 | 58.8° | 55.0° |
| O6 | C6 | C7 | O7 | 62.1° | 65.0° |
| O6 | C6 | C5 | H5 | 58.5° | 62.3° |
| O6 | C6 | C7 | H7 | 178.4° | 175.0° |
| C8 | C7 | O7 | H7 | 119.7° | 120.0° |
| C7 | C8 | C9 | O8 | 123.0° | 120.0° |
| C7 | C8 | C9 | H8 | 118.5° | 120.0° |
| C7 | C8 | O8 | H8 | 118.5° | 120.1° |
| C7 | C8 | C9 | O9 | 63.6° | 175.0° |
| C8 | C7 | C6 | H6 | 62.8° | 65.0° |
| C8 | C7 | O7 | HO7 | 106.6° | 60.0° |
| C7 | C8 | C9 | H92 | 176.4° | 54.9° |
| C7 | C8 | C9 | H91 | 52.9° | 65.0° |
| C7 | C8 | O8 | HO8 | 109.1° | 60.0° |
| O7 | C7 | C8 | C9 | 60.6° | 60.0° |
| O7 | C7 | C8 | O8 | 175.9° | 180.0° |
| O7 | C7 | C6 | H6 | 176.2° | 175.0° |
| O7 | C7 | C8 | H8 | 57.4° | 60.0° |
| C9 | C8 | O8 | H8 | 117.9° | 119.9° |
| C8 | C9 | O9 | H92 | 120.0° | 120.1° |
| C8 | C9 | O9 | H91 | 116.5° | 119.9° |
| C9 | C8 | C7 | H7 | 59.0° | 60.0° |
| C8 | C9 | H92 | H91 | 116.9° | 119.9° |
| C9 | C8 | O8 | HO8 | 14.4° | 60.0° |
| C8 | C9 | O9 | HO9 | 143.3° | 180.0° |
| O8 | C8 | C9 | O9 | 59.4° | 65.0° |
| O8 | C8 | C7 | H7 | 64.5° | 60.0° |
| O8 | C8 | C9 | H92 | 60.6° | 174.9° |
| O8 | C8 | C9 | H91 | 175.9° | 55.0° |
| O9 | C9 | C8 | H8 | 177.9° | 55.1° |
| O9 | C9 | H92 | H91 | 116.9° | 120.0° |
| C11 | C10 | N5 | O10 | 178.1° | 180.0° |
| C11 | C10 | N5 | HN5 | 2.8° | 0.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| C10 | N5 | C5 | H5 | 8.1° | 35.1° |
| N5 | C10 | C11 | H111 | 66.6° | 0.0° |
| N5 | C10 | C11 | H113 | 173.4° | 120.0° |
| N5 | C10 | C11 | H112 | 53.5° | 120.0° |
| O10 | C10 | N5 | HN5 | 179.0° | 180.0° |
| O10 | C10 | C11 | H111 | 111.7° | 180.0° |
| O10 | C10 | C11 | H113 | 8.4° | 60.0° |
| O10 | C10 | C11 | H112 | 128.3° | 60.0° |
| H32 | C3 | C4 | H4 | 177.8° | 177.2° |
| H31 | C3 | C4 | H4 | 57.5° | 57.1° |
| H4 | C4 | C5 | H5 | 178.6° | 177.2° |
| H4 | C4 | O4 | HO4 | 45.0° | 60.2° |
| H5 | C5 | C6 | H6 | 179.8° | 177.7° |
| H5 | C5 | N5 | HN5 | 171.8° | 144.9° |
| H6 | C6 | C7 | H7 | 56.7° | 55.0° |
| H7 | C7 | C8 | H8 | 176.9° | 179.9° |
| H7 | C7 | O7 | HO7 | 133.7° | 179.9° |
| H8 | C8 | C9 | H92 | 57.9° | 65.0° |
| H8 | C8 | C9 | H91 | 65.5° | 175.0° |
| H8 | C8 | O8 | HO8 | 132.3° | 180.0° |
| H92 | C9 | O9 | HO9 | 23.3° | 59.9° |
| H91 | C9 | O9 | HO9 | 100.2° | 60.0° |
| H111 | C11 | H113 | H112 | 120.0° | 119.9° |
