9WM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.48Å | |
| O8 | C8 | sing | 1.43Å | 1.42Å | |
| O9 | C9 | sing | 1.43Å | 1.43Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | C5 | sing | 1.46Å | 1.48Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.44Å | 1.46Å | |
| C4 | C5 | sing | 1.54Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O6 | C2 | doub | 1.18Å | 1.41Å | |
| C3 | C2 | sing | 1.50Å | 1.51Å | |
| C3 | F1 | sing | 1.40Å | 1.37Å | |
| C2 | C1 | sing | 1.49Å | 1.35Å | |
| C1 | O1A | doub | 1.21Å | 1.26Å | |
| C1 | O1B | sing | 1.35Å | 1.27Å | |
| O1B | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | 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 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| O9 | H11 | sing | 0.97Å | 0.95Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| O8 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N5 | 116.3° | 120.0° |
| C11 | C10 | O10 | 119.6° | 120.0° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.4° |
| O8 | C8 | C9 | 110.7° | 109.5° |
| O8 | C8 | C7 | 108.0° | 109.5° |
| O8 | C8 | H8 | 108.7° | 109.5° |
| C8 | O8 | H18 | 109.5° | 114.1° |
| O9 | C9 | C8 | 112.2° | 109.5° |
| O9 | C9 | H9 | 108.8° | 109.5° |
| O9 | C9 | H10 | 108.8° | 109.4° |
| C9 | O9 | H11 | 109.5° | 114.0° |
| C10 | N5 | C5 | 122.3° | 120.0° |
| N5 | C10 | O10 | 124.0° | 120.0° |
| C10 | N5 | H14 | 118.9° | 120.0° |
| N5 | C5 | C6 | 110.3° | 109.7° |
| N5 | C5 | C4 | 103.5° | 109.8° |
| N5 | C5 | H13 | 112.5° | 109.8° |
| C5 | N5 | H14 | 118.9° | 120.0° |
| C9 | C8 | C7 | 114.9° | 109.5° |
| C9 | C8 | H8 | 107.1° | 109.5° |
| C8 | C9 | H9 | 108.8° | 109.5° |
| C8 | C9 | H10 | 108.8° | 109.5° |
| C8 | C7 | C6 | 111.9° | 109.5° |
| C8 | C7 | O7 | 107.8° | 109.5° |
| C8 | C7 | H7 | 109.1° | 109.5° |
| C7 | C8 | H8 | 107.2° | 109.5° |
| C6 | C7 | O7 | 108.1° | 109.5° |
| C7 | C6 | C5 | 111.0° | 109.2° |
| C7 | C6 | O6 | 108.0° | 109.0° |
| C7 | C6 | H6 | 107.8° | 109.1° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| O7 | C7 | H7 | 110.6° | 109.5° |
| C7 | O7 | H12 | 109.5° | 114.0° |
| C5 | C6 | O6 | 113.5° | 111.2° |
| C6 | C5 | C4 | 106.0° | 108.0° |
| C5 | C6 | H6 | 107.8° | 109.1° |
| C6 | C5 | H13 | 111.8° | 109.9° |
| C6 | O6 | C2 | 120.2° | 125.0° |
| O6 | C6 | H6 | 108.6° | 109.3° |
| C5 | C4 | C3 | 110.7° | 107.6° |
| C5 | C4 | H4 | 109.2° | 109.9° |
| C5 | C4 | H5 | 109.2° | 109.8° |
| C4 | C5 | H13 | 112.2° | 109.7° |
| C4 | C3 | C2 | 118.4° | 109.8° |
| C4 | C3 | F1 | 105.2° | 109.4° |
| C4 | C3 | H3 | 107.6° | 109.4° |
| C3 | C4 | H4 | 109.1° | 109.9° |
| C3 | C4 | H5 | 109.2° | 109.8° |
| O6 | C2 | C3 | 116.1° | 126.9° |
| O6 | C2 | C1 | 119.7° | 116.5° |
| C2 | C3 | F1 | 107.9° | 109.4° |
| C3 | C2 | C1 | 124.2° | 116.6° |
| C2 | C3 | H3 | 107.8° | 109.4° |
| F1 | C3 | H3 | 109.7° | 109.4° |
| C2 | C1 | O1A | 118.5° | 120.0° |
| C2 | C1 | O1B | 122.4° | 120.0° |
| O1A | C1 | O1B | 119.0° | 120.0° |
| C1 | O1B | H1 | 109.5° | 117.0° |
| H4 | C4 | H5 | 109.5° | 109.9° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N5 | O10 | 177.6° | 180.0° |
| C11 | C10 | N5 | C5 | 179.8° | 180.0° |
| C11 | C10 | N5 | H14 | 0.1° | 0.0° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| O8 | C8 | C9 | O9 | 60.9° | 65.0° |
| O8 | C8 | C9 | C7 | 122.7° | 120.0° |
| O8 | C8 | C9 | H8 | 118.4° | 120.0° |
| O8 | C8 | C7 | H8 | 117.0° | 120.0° |
| O8 | C8 | C7 | C6 | 63.0° | 60.0° |
| O8 | C8 | C7 | O7 | 178.2° | NaN° |
| O8 | C8 | C7 | H7 | 58.1° | 60.0° |
| O8 | C8 | C9 | H9 | 178.7° | 175.0° |
| O8 | C8 | C9 | H10 | 59.5° | 55.0° |
| O9 | C9 | C8 | H9 | 120.4° | 120.1° |
| O9 | C9 | C8 | H10 | 120.4° | 119.9° |
| O9 | C9 | C8 | C7 | 61.8° | 175.0° |
| O9 | C9 | C8 | H8 | 179.3° | 55.0° |
| O9 | C9 | H9 | H10 | 118.7° | 120.0° |
| C10 | N5 | C5 | H14 | 180.0° | 180.0° |
| C10 | N5 | C5 | C6 | 121.6° | 156.5° |
| C10 | N5 | C5 | C4 | 125.4° | 85.0° |
| C10 | N5 | C5 | H13 | 4.0° | 35.7° |
| N5 | C10 | C11 | H15 | 177.7° | 0.0° |
| N5 | C10 | C11 | H16 | 62.3° | 120.0° |
| N5 | C10 | C11 | H17 | 57.7° | 120.0° |
| C5 | N5 | C10 | O10 | 2.3° | 0.0° |
| N5 | C5 | C6 | C7 | 65.8° | 70.5° |
| N5 | C5 | C6 | C4 | 111.5° | 119.6° |
| N5 | C5 | C6 | H13 | 126.0° | 120.7° |
| N5 | C5 | C6 | O6 | 172.4° | 169.1° |
| N5 | C5 | C4 | H13 | 121.6° | 120.7° |
| N5 | C5 | C4 | C3 | 175.0° | 177.4° |
| N5 | C5 | C4 | H4 | 54.8° | 57.8° |
| N5 | C5 | C4 | H5 | 64.8° | 63.1° |
| N5 | C5 | C6 | H6 | 52.0° | 48.6° |
| O10 | C10 | N5 | H14 | 177.7° | 180.0° |
| O10 | C10 | C11 | H15 | 0.0° | 180.0° |
| O10 | C10 | C11 | H16 | 120.0° | 60.0° |
| O10 | C10 | C11 | H17 | 120.0° | 60.0° |
| C9 | C8 | C7 | H8 | 118.9° | 120.0° |
| C9 | C8 | C7 | C6 | 172.9° | 180.0° |
| C9 | C8 | C7 | O7 | 54.1° | 60.0° |
| C9 | C8 | C7 | H7 | 66.0° | 60.0° |
| C8 | C9 | H9 | H10 | 118.7° | 120.0° |
| C8 | C9 | O9 | H11 | 180.0° | 180.0° |
| C9 | C8 | O8 | H18 | 180.0° | 60.0° |
| C8 | C7 | C6 | O7 | 118.6° | 120.0° |
| C8 | C7 | C6 | H7 | 121.0° | 120.0° |
| C8 | C7 | O7 | H7 | 119.2° | 120.0° |
| C8 | C7 | C6 | C5 | 179.5° | 175.0° |
| C8 | C7 | C6 | O6 | 54.5° | 53.4° |
| C8 | C7 | C6 | H6 | 62.7° | 65.9° |
| C7 | C8 | C9 | H9 | 58.7° | 55.0° |
| C7 | C8 | C9 | H10 | 177.8° | 65.0° |
| C8 | C7 | O7 | H12 | 180.0° | 60.0° |
| C7 | C8 | O8 | H18 | 53.4° | 60.0° |
| C6 | C7 | O7 | H7 | 119.6° | 120.0° |
| C7 | C6 | C5 | O6 | 121.8° | 120.3° |
| C7 | C6 | C5 | H6 | 117.8° | 119.1° |
| C7 | C6 | O6 | H6 | 116.7° | 119.1° |
| C7 | C6 | C5 | C4 | 177.3° | 169.8° |
| C7 | C6 | O6 | C2 | 165.3° | 139.2° |
| C6 | C7 | C8 | H8 | 54.0° | 60.0° |
| C6 | C7 | O7 | H12 | 58.8° | 60.0° |
| C7 | C6 | C5 | H13 | 60.2° | 50.2° |
| O7 | C7 | C6 | C5 | 60.9° | 55.0° |
| O7 | C7 | C6 | O6 | 64.1° | 66.6° |
| O7 | C7 | C6 | H6 | 178.7° | 174.2° |
| O7 | C7 | C8 | H8 | 64.8° | 60.0° |
| C5 | C6 | O6 | H6 | 119.8° | 120.5° |
| C6 | C5 | C4 | H13 | 122.3° | 119.7° |
| C6 | C5 | C4 | C3 | 58.9° | 63.1° |
| C5 | C6 | O6 | C2 | 41.9° | 18.8° |
| C6 | C5 | C4 | H4 | 61.3° | 177.4° |
| C6 | C5 | C4 | H5 | 179.1° | 56.4° |
| C5 | C6 | C7 | H7 | 59.5° | 65.0° |
| C6 | C5 | N5 | H14 | 58.4° | 23.5° |
| O6 | C6 | C5 | C4 | 60.9° | 49.5° |
| C6 | O6 | C2 | C3 | 19.1° | 0.8° |
| C6 | O6 | C2 | C1 | 161.8° | 178.9° |
| O6 | C6 | C7 | H7 | 175.5° | 173.4° |
| O6 | C6 | C5 | H13 | 61.7° | 70.1° |
| C5 | C4 | C3 | H4 | 120.2° | 119.6° |
| C5 | C4 | C3 | H5 | 120.2° | 119.5° |
| C5 | C4 | C3 | C2 | 40.7° | 45.0° |
| C5 | C4 | C3 | F1 | 80.0° | 75.0° |
| C5 | C4 | C3 | H3 | 163.1° | 165.1° |
| C5 | C4 | H4 | H5 | 119.4° | 121.0° |
| C4 | C5 | C6 | H6 | 59.4° | 71.0° |
| C4 | C5 | N5 | H14 | 54.6° | 95.1° |
| C4 | C3 | C2 | O6 | 18.6° | 14.9° |
| C4 | C3 | C2 | F1 | 119.3° | 120.1° |
| C4 | C3 | C2 | H3 | 122.3° | 120.1° |
| C4 | C3 | F1 | H3 | 115.5° | 119.9° |
| C4 | C3 | C2 | C1 | 162.3° | 164.8° |
| C3 | C4 | H4 | H5 | 119.4° | 120.9° |
| C3 | C4 | C5 | H13 | 63.4° | 56.7° |
| O6 | C2 | C3 | C1 | 179.1° | 179.7° |
| O6 | C2 | C3 | F1 | 100.7° | 105.2° |
| O6 | C2 | C1 | O1A | 2.7° | 179.8° |
| O6 | C2 | C1 | O1B | 179.3° | 0.3° |
| O6 | C2 | C3 | H3 | 140.9° | 135.0° |
| C2 | O6 | C6 | H6 | 78.0° | 101.7° |
| C2 | C3 | F1 | H3 | 117.2° | 119.8° |
| C3 | C2 | C1 | O1A | 178.2° | 0.1° |
| C3 | C2 | C1 | O1B | 0.3° | 180.0° |
| C2 | C3 | C4 | H4 | 79.5° | 164.6° |
| C2 | C3 | C4 | H5 | 160.9° | 74.5° |
| F1 | C3 | C2 | C1 | 78.4° | 75.1° |
| F1 | C3 | C4 | H4 | 159.8° | 44.5° |
| F1 | C3 | C4 | H5 | 40.2° | 165.5° |
| C2 | C1 | O1A | O1B | 178.0° | 179.9° |
| C2 | C1 | O1B | H1 | 177.9° | 180.0° |
| C1 | C2 | C3 | H3 | 40.0° | 44.7° |
| O1A | C1 | O1B | H1 | 0.0° | 0.1° |
| H3 | C3 | C4 | H4 | 42.9° | 75.3° |
| H3 | C3 | C4 | H5 | 76.7° | 45.6° |
| H4 | C4 | C5 | H13 | 176.4° | 62.9° |
| H5 | C4 | C5 | H13 | 56.8° | 176.1° |
| H6 | C6 | C7 | H7 | 58.3° | 54.1° |
| H6 | C6 | C5 | H13 | 178.0° | 169.3° |
| H7 | C7 | C8 | H8 | 175.1° | 179.9° |
| H7 | C7 | O7 | H12 | 60.8° | 180.0° |
| H8 | C8 | C9 | H9 | 60.2° | 65.0° |
| H8 | C8 | C9 | H10 | 58.9° | 175.0° |
| H8 | C8 | O8 | H18 | 62.6° | 180.0° |
| H9 | C9 | O9 | H11 | 59.6° | 59.9° |
| H10 | C9 | O9 | H11 | 59.6° | 60.1° |
| H13 | C5 | N5 | H14 | 176.0° | 144.3° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
