K5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | sing | 1.43Å | 0.00Å | |
| F03 | C02 | sing | 1.40Å | 0.00Å | |
| C01 | C02 | sing | 1.53Å | 0.00Å | |
| C04 | C02 | sing | 1.54Å | 0.00Å | |
| C04 | C06 | sing | 1.54Å | 0.00Å | |
| C02 | C14 | sing | 1.54Å | 0.00Å | |
| C06 | C07 | sing | 1.53Å | 0.00Å | |
| C06 | O13 | sing | 1.44Å | 0.00Å | |
| C07 | O08 | sing | 1.43Å | 0.00Å | |
| C14 | O13 | sing | 1.44Å | 0.00Å | |
| C14 | N15 | sing | 1.46Å | 0.00Å | |
| O11 | P09 | sing | 1.61Å | 0.00Å | |
| O08 | P09 | sing | 1.61Å | 0.00Å | |
| O22 | C21 | doub | 1.22Å | 0.00Å | |
| N15 | C21 | sing | 1.35Å | 0.00Å | |
| N15 | C16 | sing | 1.37Å | 0.00Å | |
| O10 | P09 | sing | 1.61Å | 0.00Å | |
| C21 | N20 | sing | 1.35Å | 0.00Å | |
| C16 | C17 | doub | 1.35Å | 0.00Å | |
| N20 | C18 | sing | 1.35Å | 0.00Å | |
| C17 | C18 | sing | 1.42Å | 0.00Å | |
| C18 | O19 | doub | 1.22Å | 0.00Å | |
| C01 | H1 | sing | 1.09Å | 0.00Å | |
| C01 | H2 | sing | 1.09Å | 0.00Å | |
| C01 | H3 | sing | 1.09Å | 0.00Å | |
| C04 | H4 | sing | 1.09Å | 0.00Å | |
| C06 | H5 | sing | 1.09Å | 0.00Å | |
| C07 | H6 | sing | 1.09Å | 0.00Å | |
| C07 | H7 | sing | 1.09Å | 0.00Å | |
| C14 | H8 | sing | 1.09Å | 0.00Å | |
| C16 | H9 | sing | 1.08Å | 0.00Å | |
| C17 | H10 | sing | 1.08Å | 0.00Å | |
| N20 | H11 | sing | 0.97Å | 0.00Å | |
| O05 | H12 | sing | 0.97Å | 0.00Å | |
| O10 | H13 | sing | 0.97Å | 0.00Å | |
| O11 | H14 | sing | 0.97Å | 0.00Å | |
| P09 | O1 | doub | 1.48Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | C02 | 90.0° | 110.5° |
| O05 | C04 | C06 | 90.0° | 110.5° |
| O05 | C04 | H4 | 90.0° | 110.5° |
| C04 | O05 | H12 | 90.0° | 114.0° |
| F03 | C02 | C01 | 90.0° | 110.4° |
| F03 | C02 | C04 | 90.0° | 110.6° |
| F03 | C02 | C14 | 90.0° | 110.5° |
| C01 | C02 | C04 | 90.0° | 110.5° |
| C01 | C02 | C14 | 90.0° | 110.5° |
| C02 | C01 | H1 | 90.0° | 109.4° |
| C02 | C01 | H2 | 90.0° | 109.5° |
| C02 | C01 | H3 | 90.0° | 109.5° |
| C02 | C04 | C06 | 90.0° | 104.1° |
| C04 | C02 | C14 | 90.0° | 104.1° |
| C02 | C04 | H4 | 90.0° | 110.5° |
| C04 | C06 | C07 | 90.0° | 110.4° |
| C04 | C06 | O13 | 90.0° | 104.8° |
| C06 | C04 | H4 | 90.0° | 110.5° |
| C04 | C06 | H5 | 90.0° | 110.4° |
| C02 | C14 | O13 | 90.0° | 104.8° |
| C02 | C14 | N15 | 90.0° | 110.4° |
| C02 | C14 | H8 | 90.0° | 110.4° |
| C07 | C06 | O13 | 90.0° | 110.4° |
| C06 | C07 | O08 | 90.0° | 109.5° |
| C07 | C06 | H5 | 90.0° | 110.3° |
| C06 | C07 | H6 | 90.0° | 109.5° |
| C06 | C07 | H7 | 90.0° | 109.5° |
| C06 | O13 | C14 | 90.0° | 105.3° |
| O13 | C06 | H5 | 90.0° | 110.5° |
| C07 | O08 | P09 | 90.0° | 123.0° |
| O08 | C07 | H6 | 90.0° | 109.5° |
| O08 | C07 | H7 | 90.0° | 109.4° |
| O13 | C14 | N15 | 90.0° | 110.4° |
| O13 | C14 | H8 | 90.0° | 110.3° |
| C14 | N15 | C21 | 90.0° | 119.7° |
| C14 | N15 | C16 | 90.0° | 119.7° |
| N15 | C14 | H8 | 90.0° | 110.4° |
| O11 | P09 | O08 | 90.0° | 109.5° |
| O11 | P09 | O10 | 90.0° | 109.4° |
| P09 | O11 | H14 | 90.0° | 114.0° |
| O11 | P09 | O1 | 90.0° | 109.5° |
| O08 | P09 | O10 | 90.0° | 109.5° |
| O08 | P09 | O1 | 90.0° | 109.5° |
| O22 | C21 | N15 | 90.0° | 119.5° |
| O22 | C21 | N20 | 90.0° | 119.6° |
| C21 | N15 | C16 | 90.0° | 120.6° |
| N15 | C21 | N20 | 90.0° | 120.9° |
| N15 | C16 | C17 | 90.0° | 119.7° |
| N15 | C16 | H9 | 90.0° | 120.1° |
| P09 | O10 | H13 | 90.0° | 114.0° |
| O10 | P09 | O1 | 90.0° | 109.5° |
| C21 | N20 | C18 | 90.0° | 120.3° |
| C21 | N20 | H11 | 90.0° | 119.9° |
| C16 | C17 | C18 | 90.0° | 119.1° |
| C17 | C16 | H9 | 90.0° | 120.2° |
| C16 | C17 | H10 | 90.0° | 120.4° |
| N20 | C18 | C17 | 90.0° | 119.4° |
| N20 | C18 | O19 | 90.0° | 120.3° |
| C18 | N20 | H11 | 90.0° | 119.8° |
| C17 | C18 | O19 | 90.0° | 120.3° |
| C18 | C17 | H10 | 90.0° | 120.5° |
| H1 | C01 | H2 | 90.0° | 109.4° |
| H1 | C01 | H3 | 90.0° | 109.5° |
| H2 | C01 | H3 | 90.0° | 109.5° |
| H6 | C07 | H7 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | C02 | F03 | 90.0° | 0.1° |
| O05 | C04 | C02 | C01 | 90.0° | 122.7° |
| O05 | C04 | C02 | C06 | 90.0° | 118.7° |
| O05 | C04 | C02 | H4 | 90.0° | 122.7° |
| O05 | C04 | C06 | H4 | 90.0° | 122.6° |
| O05 | C04 | C02 | C14 | 90.0° | 118.7° |
| O05 | C04 | C06 | C07 | 90.0° | 98.5° |
| O05 | C04 | C06 | O13 | 90.0° | 142.6° |
| O05 | C04 | C06 | H5 | 90.0° | 23.7° |
| F03 | C02 | C01 | C04 | 90.0° | 122.8° |
| F03 | C02 | C01 | C14 | 90.0° | 122.6° |
| F03 | C02 | C04 | C14 | 90.0° | 118.7° |
| F03 | C02 | C04 | C06 | 90.0° | 118.7° |
| F03 | C02 | C14 | O13 | 90.0° | 142.7° |
| F03 | C02 | C14 | N15 | 90.0° | 98.4° |
| F03 | C02 | C01 | H1 | 90.0° | 177.6° |
| F03 | C02 | C01 | H2 | 90.0° | 62.4° |
| F03 | C02 | C01 | H3 | 90.0° | 57.6° |
| F03 | C02 | C04 | H4 | 90.0° | 122.6° |
| F03 | C02 | C14 | H8 | 90.0° | 24.0° |
| C01 | C02 | C04 | C14 | 90.0° | 118.6° |
| C01 | C02 | C04 | C06 | 90.0° | 118.6° |
| C01 | C02 | C14 | O13 | 90.0° | 94.7° |
| C01 | C02 | C14 | N15 | 90.0° | 24.1° |
| C02 | C01 | H1 | H2 | 90.0° | 120.0° |
| C02 | C01 | H1 | H3 | 90.0° | 120.0° |
| C02 | C01 | H2 | H3 | 90.0° | 120.1° |
| C01 | C02 | C04 | H4 | 90.0° | 0.0° |
| C01 | C02 | C14 | H8 | 90.0° | 146.5° |
| C02 | C04 | C06 | H4 | 90.0° | 118.7° |
| C02 | C04 | C06 | C07 | 90.0° | 142.8° |
| C02 | C04 | C06 | O13 | 90.0° | 24.0° |
| C04 | C02 | C14 | O13 | 90.0° | 23.9° |
| C04 | C02 | C14 | N15 | 90.0° | 142.8° |
| C04 | C02 | C01 | H1 | 90.0° | 59.6° |
| C04 | C02 | C01 | H2 | 90.0° | 60.3° |
| C04 | C02 | C01 | H3 | 90.0° | 179.6° |
| C02 | C04 | C06 | H5 | 90.0° | 95.0° |
| C04 | C02 | C14 | H8 | 90.0° | 94.8° |
| C02 | C04 | O05 | H12 | 90.0° | 180.0° |
| C06 | C04 | C02 | C14 | 90.0° | 0.0° |
| C04 | C06 | C07 | O13 | 90.0° | 115.4° |
| C04 | C06 | C07 | H5 | 90.0° | 122.2° |
| C04 | C06 | O13 | H5 | 90.0° | 118.9° |
| C04 | C06 | C07 | O08 | 90.0° | 175.0° |
| C04 | C06 | O13 | C14 | 90.0° | 40.5° |
| C04 | C06 | C07 | H6 | 90.0° | 55.0° |
| C04 | C06 | C07 | H7 | 90.0° | 65.0° |
| C06 | C04 | O05 | H12 | 90.0° | 65.3° |
| C02 | C14 | O13 | C06 | 90.0° | 40.4° |
| C02 | C14 | O13 | N15 | 90.0° | 118.9° |
| C02 | C14 | O13 | H8 | 90.0° | 118.8° |
| C02 | C14 | N15 | H8 | 90.0° | 122.3° |
| C02 | C14 | N15 | C21 | 90.0° | 85.2° |
| C02 | C14 | N15 | C16 | 90.0° | 94.7° |
| C14 | C02 | C01 | H1 | 90.0° | 55.0° |
| C14 | C02 | C01 | H2 | 90.0° | 175.0° |
| C14 | C02 | C01 | H3 | 90.0° | 65.0° |
| C14 | C02 | C04 | H4 | 90.0° | 118.6° |
| C07 | C06 | O13 | H5 | 90.0° | 122.2° |
| C06 | C07 | O08 | H6 | 90.0° | 120.0° |
| C06 | C07 | O08 | H7 | 90.0° | 120.0° |
| C07 | C06 | O13 | C14 | 90.0° | 159.3° |
| C06 | C07 | O08 | P09 | 90.0° | 180.0° |
| C07 | C06 | C04 | H4 | 90.0° | 24.2° |
| C06 | C07 | H6 | H7 | 90.0° | 120.0° |
| O13 | C06 | C07 | O08 | 90.0° | 69.5° |
| C06 | O13 | C14 | N15 | 90.0° | 159.3° |
| O13 | C06 | C04 | H4 | 90.0° | 94.7° |
| O13 | C06 | C07 | H6 | 90.0° | 170.4° |
| O13 | C06 | C07 | H7 | 90.0° | 50.4° |
| C06 | O13 | C14 | H8 | 90.0° | 78.3° |
| C07 | O08 | P09 | O11 | 90.0° | 65.0° |
| C07 | O08 | P09 | O10 | 90.0° | 175.1° |
| O08 | C07 | C06 | H5 | 90.0° | 52.8° |
| O08 | C07 | H6 | H7 | 90.0° | 120.0° |
| C07 | O08 | P09 | O1 | 90.0° | 55.1° |
| O13 | C14 | N15 | H8 | 90.0° | 122.3° |
| O13 | C14 | N15 | C21 | 90.0° | 159.4° |
| O13 | C14 | N15 | C16 | 90.0° | 20.7° |
| C14 | O13 | C06 | H5 | 90.0° | 78.4° |
| C14 | N15 | C21 | O22 | 90.0° | 0.3° |
| C14 | N15 | C21 | C16 | 90.0° | 179.9° |
| C14 | N15 | C21 | N20 | 90.0° | 179.5° |
| C14 | N15 | C16 | C17 | 90.0° | 179.9° |
| C14 | N15 | C16 | H9 | 90.0° | 0.2° |
| O11 | P09 | O08 | O10 | 90.0° | 120.0° |
| O11 | P09 | O08 | O1 | 90.0° | 120.1° |
| O11 | P09 | O10 | O1 | 90.0° | 120.0° |
| O11 | P09 | O10 | H13 | 90.0° | 60.1° |
| O08 | P09 | O10 | O1 | 90.0° | 120.0° |
| P09 | O08 | C07 | H6 | 90.0° | 60.0° |
| P09 | O08 | C07 | H7 | 90.0° | 60.0° |
| O08 | P09 | O10 | H13 | 90.0° | 180.0° |
| O08 | P09 | O11 | H14 | 90.0° | 60.0° |
| O22 | C21 | N15 | N20 | 90.0° | 179.2° |
| O22 | C21 | N15 | C16 | 90.0° | 179.8° |
| O22 | C21 | N20 | C18 | 90.0° | 180.0° |
| O22 | C21 | N20 | H11 | 90.0° | 0.7° |
| C21 | N15 | C16 | C17 | 90.0° | 0.0° |
| N15 | C21 | N20 | C18 | 90.0° | 0.8° |
| C21 | N15 | C14 | H8 | 90.0° | 37.1° |
| C21 | N15 | C16 | H9 | 90.0° | 179.7° |
| N15 | C21 | N20 | H11 | 90.0° | 180.0° |
| C16 | N15 | C21 | N20 | 90.0° | 0.6° |
| N15 | C16 | C17 | H9 | 90.0° | 179.8° |
| N15 | C16 | C17 | C18 | 90.0° | 0.3° |
| C16 | N15 | C14 | H8 | 90.0° | 143.0° |
| N15 | C16 | C17 | H10 | 90.0° | 179.8° |
| O10 | P09 | O11 | H14 | 90.0° | 60.0° |
| C21 | N20 | C18 | H11 | 90.0° | 179.2° |
| C21 | N20 | C18 | C17 | 90.0° | 0.5° |
| C21 | N20 | C18 | O19 | 90.0° | 179.5° |
| C16 | C17 | C18 | N20 | 90.0° | 0.0° |
| C16 | C17 | C18 | H10 | 90.0° | 179.9° |
| C16 | C17 | C18 | O19 | 90.0° | 180.0° |
| N20 | C18 | C17 | O19 | 90.0° | 180.0° |
| N20 | C18 | C17 | H10 | 90.0° | 179.9° |
| C18 | C17 | C16 | H9 | 90.0° | 180.0° |
| C17 | C18 | N20 | H11 | 90.0° | 179.7° |
| O19 | C18 | C17 | H10 | 90.0° | 0.1° |
| O19 | C18 | N20 | H11 | 90.0° | 0.3° |
| H1 | C01 | H2 | H3 | 90.0° | 120.0° |
| H4 | C04 | C06 | H5 | 90.0° | 146.3° |
| H4 | C04 | O05 | H12 | 90.0° | 57.3° |
| H5 | C06 | C07 | H6 | 90.0° | 67.3° |
| H5 | C06 | C07 | H7 | 90.0° | 172.8° |
| H9 | C16 | C17 | H10 | 90.0° | 0.1° |
| H13 | O10 | P09 | O1 | 90.0° | 60.0° |
| H14 | O11 | P09 | O1 | 90.0° | 180.0° |
