1LK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | P1 | sing | 1.61Å | 1.53Å | |
| O7 | P1 | sing | 1.61Å | 1.53Å | |
| P1 | O5 | doub | 1.48Å | 1.49Å | |
| P1 | O4 | sing | 1.61Å | 1.60Å | |
| O4 | P | sing | 1.61Å | 1.59Å | |
| F | C1 | sing | 1.40Å | 1.41Å | |
| P | O3 | sing | 1.61Å | 1.53Å | |
| P | O2 | doub | 1.48Å | 1.47Å | |
| P | O1 | sing | 1.61Å | 1.61Å | |
| C4 | O1 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C | O | sing | 1.44Å | 1.43Å | |
| C | C1 | sing | 1.55Å | 1.53Å | |
| O | C3 | sing | 1.44Å | 1.44Å | |
| C2 | C1 | sing | 1.55Å | 1.52Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | O8 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| O7 | H9 | sing | 0.97Å | 0.95Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | P1 | O7 | 109.3° | 109.5° |
| O6 | P1 | O5 | 113.7° | 109.5° |
| O6 | P1 | O4 | 104.2° | 109.5° |
| P1 | O6 | H8 | 109.5° | 114.0° |
| O7 | P1 | O5 | 113.0° | 109.5° |
| O7 | P1 | O4 | 104.3° | 109.5° |
| P1 | O7 | H9 | 109.5° | 114.0° |
| O5 | P1 | O4 | 111.7° | 109.4° |
| P1 | O4 | P | 135.8° | 134.0° |
| O4 | P | O3 | 107.5° | 109.5° |
| O4 | P | O2 | 111.7° | 109.4° |
| O4 | P | O1 | 102.8° | 109.5° |
| F | C1 | C | 112.8° | 111.0° |
| F | C1 | C2 | 108.7° | 110.9° |
| F | C1 | H1 | 112.3° | 110.8° |
| O3 | P | O2 | 114.4° | 109.5° |
| O3 | P | O1 | 111.0° | 109.5° |
| P | O3 | H7 | 109.5° | 114.0° |
| O2 | P | O1 | 108.8° | 109.4° |
| P | O1 | C4 | 117.6° | 123.0° |
| O1 | C4 | C3 | 113.6° | 109.5° |
| O1 | C4 | H5 | 108.4° | 109.5° |
| O1 | C4 | H6 | 108.4° | 109.5° |
| C4 | C3 | O | 103.7° | 110.0° |
| C4 | C3 | C2 | 110.1° | 109.9° |
| C4 | C3 | H3 | 112.0° | 109.8° |
| C3 | C4 | H5 | 108.4° | 109.4° |
| C3 | C4 | H6 | 108.4° | 109.5° |
| O | C | C1 | 109.4° | 103.4° |
| C | O | C3 | 109.1° | 107.0° |
| O | C | H4 | 109.5° | 110.6° |
| O | C | H11 | 109.5° | 110.7° |
| C | C1 | C2 | 101.3° | 102.1° |
| C | C1 | H1 | 110.5° | 110.9° |
| C1 | C | H4 | 109.5° | 110.6° |
| C1 | C | H11 | 109.5° | 110.7° |
| O | C3 | C2 | 105.6° | 107.3° |
| O | C3 | H3 | 113.2° | 109.9° |
| C1 | C2 | C3 | 104.6° | 104.2° |
| C1 | C2 | O8 | 104.7° | 110.5° |
| C2 | C1 | H1 | 110.6° | 110.8° |
| C1 | C2 | H2 | 111.5° | 110.4° |
| C3 | C2 | O8 | 111.1° | 110.5° |
| C3 | C2 | H2 | 111.4° | 110.5° |
| C2 | C3 | H3 | 111.8° | 109.9° |
| O8 | C2 | H2 | 113.0° | 110.6° |
| C2 | O8 | H10 | 109.5° | 114.0° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H4 | C | H11 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | P1 | O7 | O5 | 127.6° | 120.0° |
| O6 | P1 | O7 | O4 | 110.9° | 120.0° |
| O6 | P1 | O5 | O4 | 117.5° | 120.0° |
| O6 | P1 | O4 | P | 126.2° | 80.0° |
| O6 | P1 | O7 | H9 | 127.6° | 60.1° |
| O7 | P1 | O5 | O4 | 117.2° | 120.0° |
| O7 | P1 | O4 | P | 119.2° | 160.0° |
| O7 | P1 | O6 | H8 | 127.3° | 60.0° |
| O5 | P1 | O4 | P | 3.1° | 40.0° |
| O5 | P1 | O6 | H8 | 0.0° | 180.0° |
| O5 | P1 | O7 | H9 | 0.0° | 60.0° |
| P1 | O4 | P | O3 | 6.1° | 80.0° |
| P1 | O4 | P | O2 | 120.2° | 40.0° |
| P1 | O4 | P | O1 | 123.3° | 160.0° |
| O4 | P1 | O6 | H8 | 121.7° | 60.0° |
| O4 | P1 | O7 | H9 | 121.5° | 179.9° |
| O4 | P | O3 | O2 | 124.7° | 120.0° |
| O4 | P | O3 | O1 | 111.7° | 120.0° |
| O4 | P | O2 | O1 | 112.8° | 120.0° |
| O4 | P | O1 | C4 | 40.5° | 175.0° |
| O4 | P | O3 | H7 | 124.7° | 60.0° |
| F | C1 | C | O | 137.3° | 81.2° |
| F | C1 | C | C2 | 116.1° | 118.2° |
| F | C1 | C | H1 | 126.7° | 123.6° |
| F | C1 | C2 | H1 | 123.8° | 123.6° |
| F | C1 | C2 | C3 | 149.4° | 97.3° |
| F | C1 | C2 | O8 | 93.7° | 144.0° |
| F | C1 | C2 | H2 | 28.9° | 21.3° |
| F | C1 | C | H4 | 102.7° | 37.3° |
| F | C1 | C | H11 | 17.3° | 160.3° |
| O3 | P | O2 | O1 | 124.8° | 120.0° |
| O3 | P | O1 | C4 | 155.2° | 64.9° |
| O2 | P | O1 | C4 | 78.0° | 55.1° |
| O2 | P | O3 | H7 | 0.0° | 180.0° |
| P | O1 | C4 | C3 | 174.0° | 180.0° |
| P | O1 | C4 | H5 | 65.4° | 59.9° |
| P | O1 | C4 | H6 | 53.4° | 60.0° |
| O1 | P | O3 | H7 | 123.6° | 60.0° |
| O1 | C4 | C3 | H5 | 120.6° | 120.0° |
| O1 | C4 | C3 | H6 | 120.6° | 120.0° |
| O1 | C4 | C3 | O | 83.0° | 67.1° |
| O1 | C4 | C3 | C2 | 164.4° | 175.0° |
| O1 | C4 | C3 | H3 | 39.4° | 54.0° |
| O1 | C4 | H5 | H6 | 118.1° | 120.0° |
| C4 | C3 | O | C | 132.5° | 146.1° |
| C4 | C3 | O | C2 | 115.8° | 119.5° |
| C4 | C3 | O | H3 | 121.6° | 121.0° |
| C4 | C3 | C2 | C1 | 141.4° | 121.6° |
| C4 | C3 | C2 | H3 | 125.2° | 121.0° |
| C4 | C3 | C2 | O8 | 106.1° | 119.7° |
| C4 | C3 | C2 | H2 | 20.9° | 3.0° |
| C3 | C4 | H5 | H6 | 118.1° | 120.0° |
| O | C | C1 | H4 | 120.0° | 118.5° |
| O | C | C1 | H11 | 120.0° | 118.5° |
| O | C | C1 | C2 | 21.3° | 37.1° |
| C | O | C3 | C2 | 16.8° | 26.5° |
| O | C | C1 | H1 | 96.0° | 155.2° |
| C | O | C3 | H3 | 105.8° | 92.9° |
| O | C | H4 | H11 | 120.0° | 123.0° |
| C1 | C | O | C3 | 3.0° | 40.1° |
| C | C1 | C2 | H1 | 117.2° | 118.2° |
| C | C1 | C2 | C3 | 30.3° | 20.9° |
| C | C1 | C2 | O8 | 147.3° | 97.8° |
| C | C1 | C2 | H2 | 90.2° | 139.6° |
| C1 | C | H4 | H11 | 120.0° | 123.0° |
| O | C3 | C2 | C1 | 30.1° | 2.0° |
| O | C3 | C2 | H3 | 123.5° | 119.4° |
| O | C3 | C2 | O8 | 142.6° | 120.7° |
| O | C3 | C2 | H2 | 90.5° | 116.6° |
| O | C3 | C4 | H5 | 37.6° | 172.9° |
| O | C3 | C4 | H6 | 156.3° | 53.0° |
| C3 | O | C | H4 | 123.0° | 158.5° |
| C3 | O | C | H11 | 117.0° | 78.4° |
| C1 | C2 | C3 | O8 | 112.5° | 118.7° |
| C1 | C2 | C3 | H2 | 120.6° | 118.6° |
| C1 | C2 | O8 | H2 | 121.5° | 122.6° |
| C1 | C2 | C3 | H3 | 93.4° | 117.4° |
| C2 | C1 | C | H4 | 141.3° | 155.5° |
| C2 | C1 | C | H11 | 98.7° | 81.5° |
| C1 | C2 | O8 | H10 | 180.0° | 61.5° |
| C3 | C2 | O8 | H2 | 126.1° | 122.7° |
| C3 | C2 | C1 | H1 | 86.9° | 139.1° |
| C2 | C3 | C4 | H5 | 74.9° | 55.0° |
| C2 | C3 | C4 | H6 | 43.8° | 65.0° |
| C3 | C2 | O8 | H10 | 67.6° | 176.2° |
| O8 | C2 | C1 | H1 | 30.1° | 20.4° |
| O8 | C2 | C3 | H3 | 19.1° | 1.2° |
| H1 | C1 | C2 | H2 | 152.6° | 102.2° |
| H1 | C1 | C | H4 | 24.0° | 86.3° |
| H1 | C1 | C | H11 | 144.0° | 36.7° |
| H2 | C2 | C3 | H3 | 146.1° | 124.0° |
| H2 | C2 | O8 | H10 | 58.5° | 61.1° |
| H3 | C3 | C4 | H5 | 160.0° | 66.1° |
| H3 | C3 | C4 | H6 | 81.3° | 174.0° |
