9VP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| O8 | C8 | sing | 1.43Å | 1.43Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | C5 | sing | 1.47Å | 1.46Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| O9 | C9 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O6 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C3 | F1 | sing | 1.40Å | 1.37Å | |
| C1 | O1A | doub | 1.21Å | 1.25Å | |
| C1 | O1B | sing | 1.34Å | 1.27Å | |
| O1B | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| 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 | 114.1° | 120.0° |
| C11 | C10 | O10 | 121.7° | 120.0° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| O8 | C8 | C7 | 108.9° | 109.5° |
| O8 | C8 | C9 | 112.7° | 109.4° |
| O8 | C8 | H8 | 109.0° | 109.5° |
| C8 | O8 | H18 | 109.5° | 114.0° |
| C10 | N5 | C5 | 125.1° | 120.0° |
| N5 | C10 | O10 | 124.2° | 120.0° |
| C10 | N5 | H14 | 117.4° | 120.0° |
| N5 | C5 | C6 | 104.6° | 109.5° |
| N5 | C5 | C4 | 105.0° | 109.5° |
| N5 | C5 | H13 | 112.6° | 109.6° |
| C5 | N5 | H14 | 117.5° | 120.0° |
| O9 | C9 | C8 | 110.6° | 109.5° |
| O9 | C9 | H9 | 109.2° | 109.5° |
| O9 | C9 | H10 | 109.2° | 109.4° |
| C9 | O9 | H11 | 109.5° | 114.0° |
| C5 | C6 | C7 | 110.2° | 109.5° |
| C5 | C6 | O6 | 111.6° | 109.4° |
| C6 | C5 | C4 | 110.8° | 109.2° |
| C5 | C6 | H6 | 108.6° | 109.6° |
| C6 | C5 | H13 | 111.7° | 109.6° |
| C7 | C6 | O6 | 108.0° | 109.4° |
| C6 | C7 | C8 | 110.6° | 109.5° |
| C6 | C7 | O7 | 108.9° | 109.5° |
| C7 | C6 | H6 | 108.7° | 109.5° |
| C6 | C7 | H7 | 109.6° | 109.4° |
| C6 | O6 | C2 | 116.0° | 114.1° |
| O6 | C6 | H6 | 109.8° | 109.5° |
| C5 | C4 | C3 | 114.9° | 109.0° |
| C5 | C4 | H4 | 108.1° | 109.5° |
| C5 | C4 | H5 | 108.1° | 109.6° |
| C4 | C5 | H13 | 111.7° | 109.5° |
| C4 | C3 | C2 | 116.4° | 109.2° |
| C4 | C3 | F1 | 108.2° | 109.6° |
| C4 | C3 | H3 | 108.0° | 109.6° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| C3 | C4 | H5 | 108.1° | 109.5° |
| C7 | C8 | C9 | 110.6° | 109.5° |
| C8 | C7 | O7 | 107.4° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 107.8° | 109.5° |
| C9 | C8 | H8 | 107.6° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.4° |
| C8 | C9 | H10 | 109.2° | 109.5° |
| O7 | C7 | H7 | 110.9° | 109.5° |
| C7 | O7 | H12 | 109.5° | 114.0° |
| C3 | C2 | O6 | 108.1° | 109.4° |
| C3 | C2 | C1 | 107.9° | 109.5° |
| C2 | C3 | F1 | 105.6° | 109.5° |
| C3 | C2 | H2 | 112.5° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| O6 | C2 | C1 | 100.7° | 109.5° |
| O6 | C2 | H2 | 114.2° | 109.5° |
| C2 | C1 | O1A | 116.4° | 120.1° |
| C2 | C1 | O1B | 121.5° | 120.0° |
| C1 | C2 | H2 | 112.6° | 109.5° |
| F1 | C3 | H3 | 110.3° | 109.5° |
| O1A | C1 | O1B | 122.0° | 119.9° |
| C1 | O1B | H1 | 109.5° | 117.1° |
| H4 | C4 | H5 | 109.5° | 109.7° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N5 | O10 | 179.9° | 179.9° |
| C11 | C10 | N5 | C5 | 179.6° | 180.0° |
| C11 | C10 | N5 | H14 | 0.4° | 0.1° |
| C10 | C11 | H15 | H16 | 120.0° | 120.1° |
| C10 | C11 | H15 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| O8 | C8 | C9 | O9 | 31.5° | 65.0° |
| O8 | C8 | C7 | C6 | 56.2° | 60.0° |
| O8 | C8 | C7 | C9 | 124.4° | 120.0° |
| O8 | C8 | C7 | H8 | 118.1° | 120.0° |
| O8 | C8 | C9 | H8 | 120.2° | 120.0° |
| O8 | C8 | C7 | O7 | 174.9° | 180.0° |
| O8 | C8 | C7 | H7 | 64.7° | 59.9° |
| O8 | C8 | C9 | H9 | 151.6° | 175.0° |
| O8 | C8 | C9 | H10 | 88.7° | 55.0° |
| C10 | N5 | C5 | H14 | 180.0° | 179.9° |
| C10 | N5 | C5 | C6 | 103.4° | 155.4° |
| C10 | N5 | C5 | C4 | 139.9° | 85.0° |
| C10 | N5 | C5 | H13 | 18.1° | 35.2° |
| N5 | C10 | C11 | H15 | 179.9° | 0.1° |
| N5 | C10 | C11 | H16 | 59.9° | 120.0° |
| N5 | C10 | C11 | H17 | 60.0° | 120.0° |
| C5 | N5 | C10 | O10 | 0.4° | 0.0° |
| N5 | C5 | C6 | C4 | 112.6° | 119.8° |
| N5 | C5 | C6 | H13 | 122.1° | 120.2° |
| N5 | C5 | C6 | C7 | 78.0° | 62.5° |
| N5 | C5 | C6 | O6 | 162.1° | 177.5° |
| N5 | C5 | C4 | H13 | 122.4° | 120.2° |
| N5 | C5 | C4 | C3 | 150.4° | 176.9° |
| N5 | C5 | C4 | H4 | 29.6° | 63.3° |
| N5 | C5 | C4 | H5 | 88.8° | 57.0° |
| N5 | C5 | C6 | H6 | 41.0° | 57.5° |
| O10 | C10 | N5 | H14 | 179.6° | 180.0° |
| O10 | C10 | C11 | H15 | 0.0° | 180.0° |
| O10 | C10 | C11 | H16 | 120.0° | 59.9° |
| O10 | C10 | C11 | H17 | 120.0° | 60.1° |
| O9 | C9 | C8 | C7 | 90.7° | 175.0° |
| O9 | C9 | C8 | H9 | 120.2° | 120.0° |
| O9 | C9 | C8 | H10 | 120.2° | 120.0° |
| O9 | C9 | C8 | H8 | 151.7° | 55.0° |
| O9 | C9 | H9 | H10 | 119.5° | 120.0° |
| C5 | C6 | C7 | O6 | 122.1° | 119.9° |
| C5 | C6 | C7 | H6 | 118.9° | 120.1° |
| C5 | C6 | O6 | H6 | 120.5° | 120.1° |
| C6 | C5 | C4 | H13 | 125.3° | 120.0° |
| C6 | C5 | C4 | C3 | 38.1° | 57.0° |
| C5 | C6 | C7 | C8 | 179.0° | 175.0° |
| C5 | C6 | C7 | O7 | 61.3° | 55.0° |
| C5 | C6 | O6 | C2 | 64.1° | 61.2° |
| C6 | C5 | C4 | H4 | 82.7° | 176.8° |
| C6 | C5 | C4 | H5 | 158.9° | 62.8° |
| C5 | C6 | C7 | H7 | 60.1° | 65.1° |
| C6 | C5 | N5 | H14 | 76.7° | 24.7° |
| C7 | C6 | O6 | H6 | 118.3° | 120.0° |
| C7 | C6 | C5 | C4 | 169.4° | 177.6° |
| C6 | C7 | C8 | O7 | 118.7° | 120.0° |
| C6 | C7 | C8 | H7 | 120.9° | 119.9° |
| C6 | C7 | C8 | C9 | 179.4° | 180.0° |
| C6 | C7 | O7 | H7 | 120.6° | 120.0° |
| C7 | C6 | O6 | C2 | 174.7° | 178.9° |
| C6 | C7 | C8 | H8 | 61.9° | 60.0° |
| C6 | C7 | O7 | H12 | 180.0° | 60.0° |
| C7 | C6 | C5 | H13 | 44.1° | 57.7° |
| O6 | C6 | C5 | C4 | 49.5° | 57.7° |
| O6 | C6 | C7 | C8 | 56.9° | 55.0° |
| O6 | C6 | C7 | O7 | 60.8° | 64.9° |
| C6 | O6 | C2 | C3 | 59.2° | 61.1° |
| C6 | O6 | C2 | C1 | 172.2° | 178.9° |
| C6 | O6 | C2 | H2 | 66.9° | 58.9° |
| O6 | C6 | C7 | H7 | 177.8° | 175.0° |
| O6 | C6 | C5 | H13 | 75.8° | 62.3° |
| C5 | C4 | C3 | H4 | 120.8° | 119.8° |
| C5 | C4 | C3 | H5 | 120.8° | 119.9° |
| C5 | C4 | C3 | C2 | 37.5° | 57.0° |
| C5 | C4 | C3 | F1 | 81.1° | 62.9° |
| C5 | C4 | C3 | H3 | 159.5° | 176.9° |
| C5 | C4 | H4 | H5 | 117.5° | 120.3° |
| C4 | C5 | C6 | H6 | 71.7° | 62.3° |
| C4 | C5 | N5 | H14 | 40.1° | 95.0° |
| C4 | C3 | C2 | F1 | 120.0° | 119.9° |
| C4 | C3 | C2 | H3 | 121.9° | 120.0° |
| C4 | C3 | C2 | O6 | 44.8° | 57.6° |
| C4 | C3 | C2 | C1 | 152.9° | 177.6° |
| C4 | C3 | F1 | H3 | 118.0° | 120.2° |
| C4 | C3 | C2 | H2 | 82.3° | 62.4° |
| C3 | C4 | H4 | H5 | 117.5° | 120.2° |
| C3 | C4 | C5 | H13 | 87.2° | 62.9° |
| C7 | C8 | C9 | H8 | 117.6° | 120.0° |
| C8 | C7 | O7 | H7 | 119.6° | 120.0° |
| C8 | C7 | C6 | H6 | 62.1° | 64.9° |
| C7 | C8 | C9 | H9 | 29.4° | 55.0° |
| C7 | C8 | C9 | H10 | 149.1° | 65.0° |
| C8 | C7 | O7 | H12 | 60.2° | 59.9° |
| C7 | C8 | O8 | H18 | 180.0° | 59.9° |
| C9 | C8 | C7 | O7 | 60.7° | 60.0° |
| C9 | C8 | C7 | H7 | 59.7° | 60.0° |
| C8 | C9 | H9 | H10 | 119.5° | 120.0° |
| C8 | C9 | O9 | H11 | 180.0° | 180.0° |
| C9 | C8 | O8 | H18 | 56.9° | 60.0° |
| O7 | C7 | C6 | H6 | 179.9° | 175.1° |
| O7 | C7 | C8 | H8 | 56.8° | 60.0° |
| C3 | C2 | O6 | C1 | 113.0° | 120.0° |
| C3 | C2 | O6 | H2 | 126.0° | 120.0° |
| C3 | C2 | C1 | H2 | 124.8° | 120.1° |
| C2 | C3 | F1 | H3 | 116.8° | 120.1° |
| C3 | C2 | C1 | O1A | 149.4° | 115.0° |
| C3 | C2 | C1 | O1B | 30.6° | 65.0° |
| C2 | C3 | C4 | H4 | 83.3° | 176.8° |
| C2 | C3 | C4 | H5 | 158.3° | 62.9° |
| O6 | C2 | C1 | H2 | 122.0° | 120.0° |
| O6 | C2 | C3 | F1 | 75.2° | 62.3° |
| O6 | C2 | C1 | O1A | 36.2° | 5.0° |
| O6 | C2 | C1 | O1B | 143.8° | 175.1° |
| O6 | C2 | C3 | H3 | 166.6° | 177.6° |
| C2 | O6 | C6 | H6 | 56.4° | 58.9° |
| C1 | C2 | C3 | F1 | 32.9° | 57.7° |
| C2 | C1 | O1A | O1B | 180.0° | 180.0° |
| C2 | C1 | O1B | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 85.3° | 62.4° |
| F1 | C3 | C2 | H2 | 157.8° | 177.7° |
| F1 | C3 | C4 | H4 | 158.1° | 56.9° |
| F1 | C3 | C4 | H5 | 39.7° | 177.2° |
| O1A | C1 | O1B | H1 | 0.0° | 0.0° |
| O1A | C1 | C2 | H2 | 85.8° | 125.0° |
| O1B | C1 | C2 | H2 | 94.2° | 55.1° |
| H2 | C2 | C3 | H3 | 39.6° | 57.6° |
| H3 | C3 | C4 | H4 | 38.7° | 63.3° |
| H3 | C3 | C4 | H5 | 79.7° | 57.0° |
| H4 | C4 | C5 | H13 | 152.0° | 56.8° |
| H5 | C4 | C5 | H13 | 33.6° | 177.2° |
| H6 | C6 | C7 | H7 | 58.7° | 55.0° |
| H6 | C6 | C5 | H13 | 163.0° | 177.7° |
| H7 | C7 | C8 | H8 | 177.2° | 180.0° |
| H7 | C7 | O7 | H12 | 59.4° | 180.0° |
| H8 | C8 | C9 | H9 | 88.1° | 65.0° |
| H8 | C8 | C9 | H10 | 31.5° | 175.0° |
| H8 | C8 | O8 | H18 | 62.6° | 180.0° |
| H9 | C9 | O9 | H11 | 59.8° | 60.0° |
| H10 | C9 | O9 | H11 | 59.8° | 60.0° |
| H13 | C5 | N5 | H14 | 161.9° | 144.9° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
