6UD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | C1 | sing | 1.35Å | 1.25Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.51Å | 1.41Å | |
| C3 | C2 | doub | 1.32Å | 1.40Å | |
| C1 | C2 | sing | 1.47Å | 1.40Å | |
| C1 | O1A | doub | 1.22Å | 1.26Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | O6 | sing | 1.36Å | 1.37Å | |
| C5 | N5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.54Å | 1.51Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| N5 | C10 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C10 | O10 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| O7 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | O8 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| N3 | N2 | sing | 1.45Å | 1.26Å | |
| C9 | N1 | sing | 1.47Å | 1.48Å | |
| N2 | N1 | sing | 1.45Å | 1.29Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| N1 | H17 | sing | 1.01Å | 1.00Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| N3 | H19 | sing | 1.01Å | 1.00Å | |
| N3 | H20 | sing | 1.01Å | 1.00Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | C1 | C2 | 120.0° | 120.0° |
| O1B | C1 | O1A | 119.3° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 116.9° |
| O4 | C4 | C3 | 112.9° | 109.4° |
| O4 | C4 | C5 | 109.6° | 109.5° |
| O4 | C4 | H2 | 107.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.1° |
| C4 | C3 | C2 | 119.1° | 122.3° |
| C3 | C4 | C5 | 111.9° | 109.4° |
| C4 | C3 | H3 | 120.5° | 118.8° |
| C3 | C4 | H2 | 107.9° | 109.5° |
| C3 | C2 | C1 | 122.3° | 118.5° |
| C3 | C2 | O6 | 122.5° | 123.0° |
| C2 | C3 | H3 | 120.4° | 118.9° |
| C2 | C1 | O1A | 120.6° | 120.0° |
| C1 | C2 | O6 | 115.2° | 118.4° |
| C4 | C5 | N5 | 107.6° | 109.7° |
| C4 | C5 | C6 | 106.3° | 108.2° |
| C5 | C4 | H2 | 106.6° | 109.5° |
| C4 | C5 | H5 | 110.3° | 109.7° |
| C2 | O6 | C6 | 117.0° | 117.6° |
| N5 | C5 | C6 | 111.1° | 109.7° |
| C5 | N5 | C10 | 123.0° | 120.0° |
| N5 | C5 | H5 | 110.9° | 109.7° |
| C5 | N5 | HN5 | 118.5° | 120.0° |
| C5 | C6 | O6 | 108.5° | 108.4° |
| C5 | C6 | C7 | 110.9° | 109.7° |
| C6 | C5 | H5 | 110.5° | 109.8° |
| C5 | C6 | H6 | 109.4° | 109.7° |
| O6 | C6 | C7 | 108.4° | 109.7° |
| O6 | C6 | H6 | 110.6° | 109.5° |
| N5 | C10 | O10 | 124.2° | 120.0° |
| N5 | C10 | C11 | 115.0° | 120.0° |
| C10 | N5 | HN5 | 118.5° | 120.0° |
| C6 | C7 | O7 | 107.7° | 109.5° |
| C6 | C7 | C8 | 110.5° | 109.5° |
| C7 | C6 | H6 | 109.1° | 109.7° |
| C6 | C7 | H7 | 108.9° | 109.4° |
| O10 | C10 | C11 | 120.8° | 120.0° |
| C10 | C11 | H9 | 109.5° | 109.4° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| O7 | C7 | C8 | 110.9° | 109.5° |
| O7 | C7 | H7 | 110.1° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C7 | C8 | O8 | 110.2° | 109.5° |
| C7 | C8 | C9 | 110.9° | 109.5° |
| C8 | C7 | H7 | 108.7° | 109.5° |
| C7 | C8 | H8 | 108.1° | 109.4° |
| O8 | C8 | C9 | 109.9° | 109.5° |
| O8 | C8 | H8 | 109.6° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| C8 | C9 | N1 | 111.1° | 109.5° |
| C9 | C8 | H8 | 108.1° | 109.4° |
| C8 | C9 | H91 | 109.0° | 109.5° |
| C8 | C9 | H92 | 109.1° | 109.4° |
| N3 | N2 | N1 | 113.0° | 111.0° |
| N3 | N2 | H18 | 108.6° | 111.0° |
| N2 | N3 | H19 | 109.5° | 111.0° |
| N2 | N3 | H20 | 109.4° | 111.0° |
| C9 | N1 | N2 | 111.6° | 111.0° |
| N1 | C9 | H91 | 109.1° | 109.5° |
| N1 | C9 | H92 | 109.1° | 109.5° |
| C9 | N1 | H17 | 108.9° | 111.0° |
| N2 | N1 | H17 | 109.0° | 111.0° |
| N1 | N2 | H18 | 108.6° | 111.0° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H19 | N3 | H20 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | C1 | C2 | C3 | 0.4° | 180.0° |
| O1B | C1 | C2 | O1A | 178.5° | 179.7° |
| O1B | C1 | C2 | O6 | 179.2° | 0.3° |
| O4 | C4 | C3 | C5 | 124.2° | 120.0° |
| O4 | C4 | C3 | H2 | 118.9° | 120.0° |
| O4 | C4 | C3 | C2 | 150.3° | 137.6° |
| O4 | C4 | C5 | H2 | 116.3° | 120.0° |
| O4 | C4 | C5 | N5 | 58.9° | 73.2° |
| O4 | C4 | C5 | C6 | 178.0° | 167.2° |
| O4 | C4 | C3 | H3 | 29.7° | 42.4° |
| O4 | C4 | C5 | H5 | 62.2° | 47.4° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 177.0° | 179.6° |
| C3 | C4 | C5 | H2 | 117.7° | 120.0° |
| C4 | C3 | C2 | O6 | 3.4° | 0.2° |
| C3 | C4 | C5 | N5 | 175.0° | 166.9° |
| C3 | C4 | C5 | C6 | 56.0° | 47.2° |
| C3 | C4 | C5 | H5 | 63.8° | 72.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C2 | C1 | O6 | 179.6° | 179.8° |
| C3 | C2 | C1 | O1A | 178.1° | 0.3° |
| C2 | C3 | C4 | C5 | 26.1° | 17.6° |
| C3 | C2 | O6 | C6 | 13.3° | 16.2° |
| C2 | C3 | C4 | H2 | 90.8° | 102.5° |
| C1 | C2 | O6 | C6 | 167.1° | 163.5° |
| C1 | C2 | C3 | H3 | 3.0° | 0.4° |
| C2 | C1 | O1B | HO1B | 178.5° | 180.0° |
| O1A | C1 | C2 | O6 | 2.4° | 180.0° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.3° |
| C4 | C5 | N5 | C6 | 116.0° | 118.7° |
| C4 | C5 | N5 | H5 | 120.7° | 120.6° |
| C4 | C5 | C6 | H5 | 119.7° | 119.8° |
| C4 | C5 | C6 | O6 | 64.8° | 62.9° |
| C4 | C5 | N5 | C10 | 144.6° | 85.0° |
| C4 | C5 | C6 | C7 | 176.3° | 177.3° |
| C5 | C4 | C3 | H3 | 153.9° | 162.4° |
| C4 | C5 | C6 | H6 | 55.9° | 56.7° |
| C4 | C5 | N5 | HN5 | 35.5° | 95.0° |
| C5 | C4 | O4 | HO4 | 54.5° | 179.9° |
| C2 | O6 | C6 | C5 | 44.6° | 47.5° |
| C2 | O6 | C6 | C7 | 165.1° | 167.3° |
| O6 | C2 | C3 | H3 | 176.6° | 179.8° |
| C2 | O6 | C6 | H6 | 75.4° | 72.2° |
| N5 | C5 | C6 | H5 | 123.6° | 120.6° |
| N5 | C5 | C6 | O6 | 178.4° | 177.5° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| N5 | C5 | C6 | C7 | 59.5° | 57.7° |
| C5 | N5 | C10 | O10 | 1.4° | 0.0° |
| C5 | N5 | C10 | C11 | 177.8° | 180.0° |
| N5 | C5 | C4 | H2 | 57.4° | 46.9° |
| N5 | C5 | C6 | H6 | 60.9° | 62.9° |
| C5 | C6 | O6 | C7 | 120.5° | 119.8° |
| C5 | C6 | O6 | H6 | 120.0° | 119.7° |
| C6 | C5 | N5 | C10 | 99.5° | 156.2° |
| C5 | C6 | C7 | H6 | 120.6° | 120.6° |
| C5 | C6 | C7 | O7 | 48.2° | 54.9° |
| C5 | C6 | C7 | C8 | 169.5° | 175.0° |
| C6 | C5 | C4 | H2 | 61.7° | 72.8° |
| C5 | C6 | C7 | H7 | 71.1° | 65.0° |
| C6 | C5 | N5 | HN5 | 80.5° | 23.8° |
| O6 | C6 | C7 | H6 | 120.4° | 120.4° |
| O6 | C6 | C7 | O7 | 70.8° | 64.1° |
| O6 | C6 | C7 | C8 | 50.5° | 56.0° |
| O6 | C6 | C5 | H5 | 54.9° | 56.9° |
| O6 | C6 | C7 | H7 | 169.9° | 176.0° |
| N5 | C10 | O10 | C11 | 179.2° | 180.0° |
| C10 | N5 | C5 | H5 | 23.8° | 35.6° |
| N5 | C10 | C11 | H9 | 179.3° | 90.0° |
| N5 | C10 | C11 | H10 | 59.3° | 30.0° |
| N5 | C10 | C11 | H11 | 60.8° | 150.0° |
| C6 | C7 | O7 | C8 | 121.1° | 120.0° |
| C6 | C7 | O7 | H7 | 118.6° | 119.9° |
| C6 | C7 | C8 | H7 | 119.5° | 119.9° |
| C6 | C7 | C8 | O8 | 65.1° | 59.9° |
| C6 | C7 | C8 | C9 | 173.0° | 180.0° |
| C7 | C6 | C5 | H5 | 64.0° | 62.9° |
| C6 | C7 | C8 | H8 | 54.6° | 60.1° |
| C6 | C7 | O7 | HO7 | 78.3° | 60.1° |
| O10 | C10 | C11 | H9 | 0.0° | 90.0° |
| O10 | C10 | C11 | H10 | 120.0° | 150.0° |
| O10 | C10 | C11 | H11 | 120.0° | 30.0° |
| O10 | C10 | N5 | HN5 | 178.6° | 180.0° |
| C10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C10 | C11 | H9 | H11 | 120.0° | 119.9° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C11 | C10 | N5 | HN5 | 2.2° | 0.0° |
| O7 | C7 | C8 | H7 | 121.2° | 120.0° |
| O7 | C7 | C8 | O8 | 175.6° | 180.0° |
| O7 | C7 | C8 | C9 | 53.6° | 59.9° |
| O7 | C7 | C6 | H6 | 168.8° | 175.5° |
| O7 | C7 | C8 | H8 | 64.7° | 60.0° |
| C7 | C8 | O8 | C9 | 122.6° | 120.0° |
| C7 | C8 | O8 | H8 | 118.8° | 120.0° |
| C7 | C8 | C9 | H8 | 118.3° | 119.9° |
| C7 | C8 | C9 | N1 | 169.4° | 175.0° |
| C8 | C7 | C6 | H6 | 69.9° | 64.4° |
| C7 | C8 | C9 | H91 | 49.2° | 54.9° |
| C7 | C8 | C9 | H92 | 70.3° | 65.1° |
| C8 | C7 | O7 | HO7 | 160.7° | 60.0° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.1° |
| O8 | C8 | C9 | H8 | 119.5° | 120.0° |
| O8 | C8 | C9 | N1 | 68.4° | 65.0° |
| O8 | C8 | C7 | H7 | 54.4° | 60.0° |
| O8 | C8 | C9 | H91 | 171.3° | 175.0° |
| O8 | C8 | C9 | H92 | 51.8° | 55.0° |
| C8 | C9 | N1 | H91 | 120.3° | 120.1° |
| C8 | C9 | N1 | H92 | 120.2° | 119.9° |
| C8 | C9 | N1 | N2 | 96.7° | 180.0° |
| C9 | C8 | C7 | H7 | 67.6° | 60.1° |
| C8 | C9 | H91 | H92 | 119.2° | 119.9° |
| C9 | C8 | O8 | HO8 | 57.4° | 60.0° |
| C8 | C9 | N1 | H17 | 143.0° | 56.0° |
| N3 | N2 | N1 | C9 | 136.3° | 125.0° |
| N3 | N2 | N1 | H18 | 120.5° | 123.9° |
| N3 | N2 | N1 | H17 | 103.4° | 1.0° |
| N2 | N3 | H19 | H20 | 120.0° | 123.9° |
| C9 | N1 | N2 | H17 | 120.3° | 124.0° |
| N1 | C9 | C8 | H8 | 51.1° | 55.1° |
| N1 | C9 | H91 | H92 | 119.3° | 120.0° |
| C9 | N1 | N2 | H18 | 103.2° | 1.1° |
| N2 | N1 | C9 | H91 | 23.6° | 60.0° |
| N2 | N1 | C9 | H92 | 143.1° | 60.0° |
| N1 | N2 | N3 | H19 | 180.0° | 56.1° |
| N1 | N2 | N3 | H20 | 60.0° | 180.0° |
| H3 | C3 | C4 | H2 | 89.2° | 77.6° |
| H2 | C4 | C5 | H5 | 178.5° | 167.4° |
| H2 | C4 | O4 | HO4 | 61.0° | 60.0° |
| H5 | C5 | C6 | H6 | 175.6° | 176.5° |
| H5 | C5 | N5 | HN5 | 156.2° | 144.4° |
| H6 | C6 | C7 | H7 | 49.4° | 55.6° |
| H7 | C7 | C8 | H8 | 174.1° | 180.0° |
| H7 | C7 | O7 | HO7 | 40.3° | 180.0° |
| H8 | C8 | C9 | H91 | 69.2° | 65.0° |
| H8 | C8 | C9 | H92 | 171.3° | 175.0° |
| H8 | C8 | O8 | HO8 | 61.2° | 179.9° |
| H91 | C9 | N1 | H17 | 96.8° | 176.1° |
| H92 | C9 | N1 | H17 | 22.7° | 63.9° |
| H9 | C11 | H10 | H11 | 120.0° | 120.1° |
| H17 | N1 | N2 | H18 | 17.1° | 122.9° |
| H18 | N2 | N3 | H19 | 59.5° | 180.0° |
| H18 | N2 | N3 | H20 | 60.5° | 56.1° |
