LPF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | F11 | sing | 1.40Å | 1.55Å | |
| C1 | F12 | sing | 1.40Å | 1.62Å | |
| C1 | F13 | sing | 1.40Å | 1.59Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O2 | doub | 1.21Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | N3 | sing | 1.46Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | CP1 | sing | 1.51Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| CP1 | CP2 | doub | 1.38Å | 1.32Å | Aromatic |
| CP1 | CP6 | sing | 1.38Å | 1.33Å | Aromatic |
| CP2 | CP3 | sing | 1.38Å | 1.38Å | Aromatic |
| CP2 | HP2 | sing | 1.08Å | 1.10Å | |
| CP3 | CP4 | doub | 1.38Å | 1.35Å | Aromatic |
| CP3 | HP3 | sing | 1.08Å | 1.10Å | |
| CP4 | CP5 | sing | 1.38Å | 1.36Å | Aromatic |
| CP4 | HP4 | sing | 1.08Å | 1.10Å | |
| CP5 | CP6 | doub | 1.38Å | 1.35Å | Aromatic |
| CP5 | HP5 | sing | 1.08Å | 1.10Å | |
| CP6 | HP6 | sing | 1.08Å | 1.10Å | |
| N3 | CN1 | sing | 1.35Å | 1.42Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CN1 | ON1 | doub | 1.21Å | 1.21Å | |
| CN1 | CN2 | sing | 1.51Å | 1.53Å | |
| CN2 | NL1 | sing | 1.46Å | 1.45Å | |
| CN2 | CA1 | sing | 1.53Å | 1.52Å | |
| CN2 | HN2 | sing | 1.09Å | 1.11Å | |
| NL1 | CL1 | sing | 1.35Å | 1.27Å | |
| NL1 | HL1 | sing | 0.97Å | 1.02Å | |
| CL1 | OL1 | doub | 1.21Å | 1.46Å | |
| CL1 | CL2 | sing | 1.51Å | 1.28Å | |
| CL2 | HL21 | sing | 1.09Å | 1.11Å | |
| CL2 | HL22 | sing | 1.09Å | 1.12Å | |
| CL2 | HL23 | sing | 1.09Å | 1.12Å | |
| CA1 | CA2 | sing | 1.53Å | 1.55Å | |
| CA1 | HA11 | sing | 1.09Å | 1.12Å | |
| CA1 | HA12 | sing | 1.09Å | 1.12Å | |
| CA2 | CA3 | sing | 1.53Å | 1.56Å | |
| CA2 | CA4 | sing | 1.53Å | 1.57Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| CA3 | HA31 | sing | 1.09Å | 1.12Å | |
| CA3 | HA32 | sing | 1.09Å | 1.11Å | |
| CA3 | HA33 | sing | 1.09Å | 1.12Å | |
| CA4 | HA41 | sing | 1.09Å | 1.12Å | |
| CA4 | HA42 | sing | 1.09Å | 1.12Å | |
| CA4 | HA43 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C1 | F12 | 106.6° | 109.5° |
| F11 | C1 | F13 | 111.4° | 109.5° |
| F11 | C1 | C2 | 115.2° | 109.5° |
| F12 | C1 | F13 | 102.6° | 109.4° |
| F12 | C1 | C2 | 116.0° | 109.5° |
| F13 | C1 | C2 | 104.3° | 109.4° |
| C1 | C2 | O2 | 109.1° | 120.0° |
| C1 | C2 | C3 | 106.2° | 120.0° |
| O2 | C2 | C3 | 105.3° | 120.0° |
| C2 | C3 | C4 | 106.9° | 109.4° |
| C2 | C3 | N3 | 105.9° | 109.4° |
| C2 | C3 | H3 | 112.8° | 109.5° |
| C4 | C3 | N3 | 107.7° | 109.5° |
| C4 | C3 | H3 | 111.2° | 109.5° |
| C3 | C4 | CP1 | 126.3° | 109.4° |
| C3 | C4 | H41 | 106.2° | 109.5° |
| C3 | C4 | H42 | 106.3° | 109.4° |
| N3 | C3 | H3 | 112.1° | 109.5° |
| C3 | N3 | CN1 | 124.5° | 120.0° |
| C3 | N3 | HN3 | 120.2° | 120.0° |
| CP1 | C4 | H41 | 106.3° | 109.5° |
| CP1 | C4 | H42 | 106.3° | 109.5° |
| C4 | CP1 | CP2 | 124.2° | 120.0° |
| C4 | CP1 | CP6 | 117.7° | 120.0° |
| H41 | C4 | H42 | 103.3° | 109.5° |
| CP2 | CP1 | CP6 | 118.0° | 120.0° |
| CP1 | CP2 | CP3 | 121.5° | 120.0° |
| CP1 | CP2 | HP2 | 117.2° | 120.0° |
| CP1 | CP6 | CP5 | 123.6° | 120.0° |
| CP1 | CP6 | HP6 | 117.4° | 120.0° |
| CP3 | CP2 | HP2 | 121.2° | 120.0° |
| CP2 | CP3 | CP4 | 118.9° | 120.0° |
| CP2 | CP3 | HP3 | 121.5° | 120.0° |
| CP4 | CP3 | HP3 | 119.6° | 120.0° |
| CP3 | CP4 | CP5 | 120.0° | 120.0° |
| CP3 | CP4 | HP4 | 119.6° | 120.0° |
| CP5 | CP4 | HP4 | 120.4° | 120.0° |
| CP4 | CP5 | CP6 | 118.0° | 120.0° |
| CP4 | CP5 | HP5 | 121.4° | 119.9° |
| CP6 | CP5 | HP5 | 120.6° | 120.0° |
| CP5 | CP6 | HP6 | 119.0° | 120.0° |
| CN1 | N3 | HN3 | 115.4° | 120.0° |
| N3 | CN1 | ON1 | 119.0° | 120.0° |
| N3 | CN1 | CN2 | 105.6° | 120.1° |
| ON1 | CN1 | CN2 | 135.2° | 119.9° |
| CN1 | CN2 | NL1 | 110.8° | 109.5° |
| CN1 | CN2 | CA1 | 121.4° | 109.5° |
| CN1 | CN2 | HN2 | 99.3° | 109.4° |
| NL1 | CN2 | CA1 | 109.3° | 109.5° |
| NL1 | CN2 | HN2 | 114.3° | 109.5° |
| CN2 | NL1 | CL1 | 122.0° | 120.0° |
| CN2 | NL1 | HL1 | 125.9° | 120.0° |
| CA1 | CN2 | HN2 | 101.1° | 109.5° |
| CN2 | CA1 | CA2 | 118.3° | 109.5° |
| CN2 | CA1 | HA11 | 109.1° | 109.5° |
| CN2 | CA1 | HA12 | 109.0° | 109.5° |
| CL1 | NL1 | HL1 | 112.2° | 120.0° |
| NL1 | CL1 | OL1 | 129.5° | 120.0° |
| NL1 | CL1 | CL2 | 120.7° | 120.0° |
| OL1 | CL1 | CL2 | 109.7° | 120.0° |
| CL1 | CL2 | HL21 | 120.7° | 109.5° |
| CL1 | CL2 | HL22 | 108.2° | 109.5° |
| CL1 | CL2 | HL23 | 108.2° | 109.5° |
| HL21 | CL2 | HL22 | 108.2° | 109.5° |
| HL21 | CL2 | HL23 | 108.2° | 109.4° |
| HL22 | CL2 | HL23 | 101.7° | 109.4° |
| CA2 | CA1 | HA11 | 109.0° | 109.4° |
| CA2 | CA1 | HA12 | 109.0° | 109.5° |
| CA1 | CA2 | CA3 | 112.7° | 109.5° |
| CA1 | CA2 | CA4 | 112.5° | 109.5° |
| CA1 | CA2 | HA2 | 104.1° | 109.4° |
| HA11 | CA1 | HA12 | 101.0° | 109.4° |
| CA3 | CA2 | CA4 | 106.2° | 109.5° |
| CA3 | CA2 | HA2 | 110.6° | 109.5° |
| CA2 | CA3 | HA31 | 112.7° | 109.5° |
| CA2 | CA3 | HA32 | 111.0° | 109.4° |
| CA2 | CA3 | HA33 | 111.0° | 109.4° |
| CA4 | CA2 | HA2 | 110.8° | 109.5° |
| CA2 | CA4 | HA41 | 112.4° | 109.5° |
| CA2 | CA4 | HA42 | 111.1° | 109.4° |
| CA2 | CA4 | HA43 | 111.1° | 109.5° |
| HA31 | CA3 | HA32 | 111.1° | 109.5° |
| HA31 | CA3 | HA33 | 111.0° | 109.5° |
| HA32 | CA3 | HA33 | 99.3° | 109.5° |
| HA41 | CA4 | HA42 | 111.1° | 109.5° |
| HA41 | CA4 | HA43 | 111.1° | 109.5° |
| HA42 | CA4 | HA43 | 99.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C1 | F12 | F13 | 117.2° | 120.0° |
| F11 | C1 | F12 | C2 | 129.8° | 120.1° |
| F11 | C1 | F13 | C2 | 124.9° | 120.1° |
| F11 | C1 | C2 | O2 | 179.4° | 0.0° |
| F11 | C1 | C2 | C3 | 67.6° | 180.0° |
| F12 | C1 | F13 | C2 | 121.4° | 120.0° |
| F12 | C1 | C2 | O2 | 53.8° | 120.0° |
| F12 | C1 | C2 | C3 | 166.9° | 59.9° |
| F13 | C1 | C2 | O2 | 58.2° | 120.1° |
| F13 | C1 | C2 | C3 | 54.8° | 60.0° |
| C1 | C2 | O2 | C3 | 113.7° | 179.9° |
| C1 | C2 | C3 | C4 | 171.5° | 90.0° |
| C1 | C2 | C3 | N3 | 73.9° | 150.0° |
| C1 | C2 | C3 | H3 | 49.0° | 30.0° |
| O2 | C2 | C3 | C4 | 55.8° | 90.0° |
| O2 | C2 | C3 | N3 | 170.4° | 29.9° |
| O2 | C2 | C3 | H3 | 66.7° | 150.0° |
| C2 | C3 | C4 | N3 | 113.4° | 119.9° |
| C2 | C3 | C4 | H3 | 123.5° | 120.0° |
| C2 | C3 | N3 | H3 | 123.4° | 120.0° |
| C2 | C3 | C4 | CP1 | 177.4° | 180.0° |
| C2 | C3 | C4 | H41 | 52.1° | 60.0° |
| C2 | C3 | C4 | H42 | 57.4° | 60.1° |
| C2 | C3 | N3 | CN1 | 120.8° | 90.0° |
| C2 | C3 | N3 | HN3 | 59.2° | 90.0° |
| C4 | C3 | N3 | H3 | 122.6° | 120.0° |
| C3 | C4 | CP1 | H41 | 125.2° | 120.0° |
| C3 | C4 | CP1 | H42 | 125.2° | 119.9° |
| C3 | C4 | H41 | H42 | 111.6° | 120.0° |
| C3 | C4 | CP1 | CP2 | 26.1° | 90.0° |
| C3 | C4 | CP1 | CP6 | 156.5° | 90.3° |
| C4 | C3 | N3 | CN1 | 125.2° | 150.0° |
| C4 | C3 | N3 | HN3 | 54.9° | 29.9° |
| N3 | C3 | C4 | CP1 | 64.0° | 60.1° |
| N3 | C3 | C4 | H41 | 61.2° | 60.0° |
| N3 | C3 | C4 | H42 | 170.7° | 180.0° |
| C3 | N3 | CN1 | HN3 | 180.0° | 180.0° |
| C3 | N3 | CN1 | ON1 | 3.6° | 0.0° |
| C3 | N3 | CN1 | CN2 | 179.8° | 179.9° |
| H3 | C3 | C4 | CP1 | 59.1° | 60.0° |
| H3 | C3 | C4 | H41 | 175.6° | 180.0° |
| H3 | C3 | C4 | H42 | 66.1° | 60.0° |
| H3 | C3 | N3 | CN1 | 2.6° | 30.0° |
| H3 | C3 | N3 | HN3 | 177.5° | 150.0° |
| CP1 | C4 | H41 | H42 | 111.7° | 120.0° |
| C4 | CP1 | CP2 | CP6 | 177.5° | 179.7° |
| C4 | CP1 | CP2 | CP3 | 177.4° | 180.0° |
| C4 | CP1 | CP2 | HP2 | 2.6° | 0.0° |
| C4 | CP1 | CP6 | CP5 | 178.7° | 179.8° |
| C4 | CP1 | CP6 | HP6 | 1.3° | 0.3° |
| H41 | C4 | CP1 | CP2 | 151.3° | 30.0° |
| H41 | C4 | CP1 | CP6 | 31.2° | 149.7° |
| H42 | C4 | CP1 | CP2 | 99.2° | 150.0° |
| H42 | C4 | CP1 | CP6 | 78.3° | 29.6° |
| CP1 | CP2 | CP3 | HP2 | 180.0° | 180.0° |
| CP1 | CP2 | CP3 | CP4 | 0.8° | 0.1° |
| CP1 | CP2 | CP3 | HP3 | 179.2° | 180.0° |
| CP2 | CP1 | CP6 | CP5 | 1.1° | 0.5° |
| CP2 | CP1 | CP6 | HP6 | 179.0° | 179.9° |
| CP6 | CP1 | CP2 | CP3 | 0.1° | 0.3° |
| CP6 | CP1 | CP2 | HP2 | 179.9° | 179.7° |
| CP1 | CP6 | CP5 | CP4 | 1.5° | 0.5° |
| CP1 | CP6 | CP5 | HP6 | 180.0° | 179.5° |
| CP1 | CP6 | CP5 | HP5 | 178.5° | 179.7° |
| CP2 | CP3 | CP4 | HP3 | 180.0° | 179.9° |
| CP2 | CP3 | CP4 | CP5 | 0.4° | 0.0° |
| CP2 | CP3 | CP4 | HP4 | 179.6° | 180.0° |
| HP2 | CP2 | CP3 | CP4 | 179.2° | 180.0° |
| HP2 | CP2 | CP3 | HP3 | 0.8° | 0.0° |
| CP3 | CP4 | CP5 | HP4 | 180.0° | 180.0° |
| CP3 | CP4 | CP5 | CP6 | 0.7° | 0.2° |
| CP3 | CP4 | CP5 | HP5 | 179.3° | 179.9° |
| HP3 | CP3 | CP4 | CP5 | 179.6° | 180.0° |
| HP3 | CP3 | CP4 | HP4 | 0.4° | 0.1° |
| CP4 | CP5 | CP6 | HP5 | 180.0° | 179.8° |
| CP4 | CP5 | CP6 | HP6 | 178.6° | 180.0° |
| HP4 | CP4 | CP5 | CP6 | 179.3° | 179.8° |
| HP4 | CP4 | CP5 | HP5 | 0.7° | 0.0° |
| HP5 | CP5 | CP6 | HP6 | 1.5° | 0.1° |
| N3 | CN1 | ON1 | CN2 | 175.4° | 179.9° |
| N3 | CN1 | CN2 | NL1 | 129.5° | 150.0° |
| N3 | CN1 | CN2 | CA1 | 100.3° | 90.0° |
| N3 | CN1 | CN2 | HN2 | 8.9° | 30.0° |
| HN3 | N3 | CN1 | ON1 | 176.5° | 180.0° |
| HN3 | N3 | CN1 | CN2 | 0.2° | 0.0° |
| ON1 | CN1 | CN2 | NL1 | 46.4° | 29.9° |
| ON1 | CN1 | CN2 | CA1 | 83.8° | 90.1° |
| ON1 | CN1 | CN2 | HN2 | 167.0° | 150.0° |
| CN1 | CN2 | NL1 | CA1 | 136.4° | 120.0° |
| CN1 | CN2 | NL1 | HN2 | 111.2° | 120.0° |
| CN1 | CN2 | CA1 | HN2 | 108.3° | 119.9° |
| CN1 | CN2 | NL1 | CL1 | 37.5° | 60.0° |
| CN1 | CN2 | NL1 | HL1 | 142.4° | 119.9° |
| CN1 | CN2 | CA1 | CA2 | 172.9° | 179.9° |
| CN1 | CN2 | CA1 | HA11 | 61.8° | 59.9° |
| CN1 | CN2 | CA1 | HA12 | 47.7° | 60.0° |
| NL1 | CN2 | CA1 | HN2 | 120.9° | 120.0° |
| CN2 | NL1 | CL1 | HL1 | 180.0° | 179.9° |
| CN2 | NL1 | CL1 | OL1 | 49.8° | 0.0° |
| CN2 | NL1 | CL1 | CL2 | 133.2° | 180.0° |
| NL1 | CN2 | CA1 | CA2 | 56.2° | 60.0° |
| NL1 | CN2 | CA1 | HA11 | 69.1° | 180.0° |
| NL1 | CN2 | CA1 | HA12 | 178.5° | 60.0° |
| CA1 | CN2 | NL1 | CL1 | 173.9° | 60.1° |
| CA1 | CN2 | NL1 | HL1 | 6.1° | 120.0° |
| CN2 | CA1 | CA2 | HA11 | 125.3° | 120.0° |
| CN2 | CA1 | CA2 | HA12 | 125.3° | 120.0° |
| CN2 | CA1 | HA11 | HA12 | 114.8° | 120.0° |
| CN2 | CA1 | CA2 | CA3 | 46.8° | 180.0° |
| CN2 | CA1 | CA2 | CA4 | 73.3° | 60.0° |
| CN2 | CA1 | CA2 | HA2 | 166.7° | 60.0° |
| HN2 | CN2 | NL1 | CL1 | 73.6° | 179.9° |
| HN2 | CN2 | NL1 | HL1 | 106.4° | 0.0° |
| HN2 | CN2 | CA1 | CA2 | 64.7° | 60.0° |
| HN2 | CN2 | CA1 | HA11 | 170.1° | 60.0° |
| HN2 | CN2 | CA1 | HA12 | 60.6° | 179.9° |
| NL1 | CL1 | OL1 | CL2 | 177.3° | 180.0° |
| NL1 | CL1 | CL2 | HL21 | 180.0° | 180.0° |
| NL1 | CL1 | CL2 | HL22 | 54.7° | 59.9° |
| NL1 | CL1 | CL2 | HL23 | 54.7° | 60.0° |
| HL1 | NL1 | CL1 | OL1 | 130.3° | 179.9° |
| HL1 | NL1 | CL1 | CL2 | 46.8° | 0.1° |
| OL1 | CL1 | CL2 | HL21 | 2.4° | 0.0° |
| OL1 | CL1 | CL2 | HL22 | 127.7° | 120.0° |
| OL1 | CL1 | CL2 | HL23 | 122.8° | 120.0° |
| CL1 | CL2 | HL21 | HL22 | 125.3° | 120.1° |
| CL1 | CL2 | HL21 | HL23 | 125.3° | 120.0° |
| CL1 | CL2 | HL22 | HL23 | 113.8° | 120.0° |
| HL21 | CL2 | HL22 | HL23 | 113.8° | 120.0° |
| CA2 | CA1 | HA11 | HA12 | 114.7° | 120.0° |
| CA1 | CA2 | CA3 | CA4 | 123.6° | 120.0° |
| CA1 | CA2 | CA3 | HA2 | 116.1° | 120.0° |
| CA1 | CA2 | CA4 | HA2 | 116.1° | 120.0° |
| CA1 | CA2 | CA3 | HA31 | 179.9° | 180.0° |
| CA1 | CA2 | CA3 | HA32 | 54.7° | 60.0° |
| CA1 | CA2 | CA3 | HA33 | 54.7° | 60.0° |
| CA1 | CA2 | CA4 | HA41 | 180.0° | 60.0° |
| CA1 | CA2 | CA4 | HA42 | 54.8° | 60.0° |
| CA1 | CA2 | CA4 | HA43 | 54.8° | 179.9° |
| HA11 | CA1 | CA2 | CA3 | 78.5° | 60.0° |
| HA11 | CA1 | CA2 | CA4 | 161.4° | 60.0° |
| HA11 | CA1 | CA2 | HA2 | 41.4° | NaN° |
| HA12 | CA1 | CA2 | CA3 | 172.1° | 60.0° |
| HA12 | CA1 | CA2 | CA4 | 52.0° | 180.0° |
| HA12 | CA1 | CA2 | HA2 | 68.1° | 60.1° |
| CA3 | CA2 | CA4 | HA2 | 120.2° | 120.0° |
| CA2 | CA3 | HA31 | HA32 | 125.3° | 120.0° |
| CA2 | CA3 | HA31 | HA33 | 125.2° | 120.0° |
| CA2 | CA3 | HA32 | HA33 | 116.9° | 120.0° |
| CA3 | CA2 | CA4 | HA41 | 56.3° | 60.0° |
| CA3 | CA2 | CA4 | HA42 | 178.6° | 180.0° |
| CA3 | CA2 | CA4 | HA43 | 69.0° | 60.0° |
| CA4 | CA2 | CA3 | HA31 | 56.4° | 60.0° |
| CA4 | CA2 | CA3 | HA32 | 68.9° | 180.0° |
| CA4 | CA2 | CA3 | HA33 | 178.4° | 60.1° |
| CA2 | CA4 | HA41 | HA42 | 125.2° | 120.0° |
| CA2 | CA4 | HA41 | HA43 | 125.3° | 120.0° |
| CA2 | CA4 | HA42 | HA43 | 117.0° | 120.0° |
| HA2 | CA2 | CA3 | HA31 | 63.9° | 60.0° |
| HA2 | CA2 | CA3 | HA32 | 170.8° | 60.0° |
| HA2 | CA2 | CA3 | HA33 | 61.3° | 180.0° |
| HA2 | CA2 | CA4 | HA41 | 63.9° | 180.0° |
| HA2 | CA2 | CA4 | HA42 | 61.3° | 60.0° |
| HA2 | CA2 | CA4 | HA43 | 170.8° | 60.0° |
| HA31 | CA3 | HA32 | HA33 | 116.9° | 120.1° |
| HA41 | CA4 | HA42 | HA43 | 117.0° | 120.0° |
