LF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | O04 | sing | 1.43Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| O04 | C05 | sing | 1.36Å | 1.39Å | |
| N16 | C14 | sing | 1.38Å | 1.43Å | |
| S11 | C10 | sing | 1.76Å | 1.74Å | Aromatic |
| S11 | C12 | sing | 1.75Å | 1.73Å | Aromatic |
| C05 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.37Å | Aromatic |
| C14 | C12 | sing | 1.47Å | 1.52Å | |
| C14 | N15 | doub | 1.31Å | 1.26Å | |
| C12 | C13 | doub | 1.33Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C09 | C08 | doub | 1.42Å | 1.43Å | Aromatic |
| C07 | C08 | sing | 1.36Å | 1.37Å | Aromatic |
| C08 | CL | sing | 1.74Å | 1.76Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N15 | H1 | sing | 0.97Å | 1.00Å | |
| N16 | H162 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | O04 | 108.7° | 109.5° |
| C03 | C02 | C01 | 114.4° | 109.5° |
| C03 | C02 | H021 | 110.1° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.4° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| O04 | C02 | C01 | 101.4° | 109.5° |
| C02 | O04 | C05 | 115.0° | 117.0° |
| O04 | C02 | H021 | 111.9° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C01 | C02 | H021 | 110.1° | 109.4° |
| O04 | C05 | C10 | 115.2° | 119.9° |
| O04 | C05 | C06 | 123.7° | 120.0° |
| N16 | C14 | C12 | 115.8° | 120.0° |
| N16 | C14 | N15 | 120.8° | 120.0° |
| C14 | N16 | H162 | 120.0° | 120.0° |
| C14 | N16 | H161 | 120.0° | 120.0° |
| C10 | S11 | C12 | 95.3° | 91.6° |
| S11 | C10 | C05 | 132.1° | 130.6° |
| S11 | C10 | C09 | 107.6° | 109.6° |
| S11 | C12 | C14 | 123.7° | 124.6° |
| S11 | C12 | C13 | 108.0° | 110.7° |
| C10 | C05 | C06 | 121.1° | 120.1° |
| C05 | C10 | C09 | 120.3° | 119.8° |
| C05 | C06 | C07 | 119.7° | 120.2° |
| C05 | C06 | H061 | 120.2° | 119.9° |
| C10 | C09 | C13 | 115.1° | 112.5° |
| C10 | C09 | C08 | 118.4° | 118.6° |
| C12 | C14 | N15 | 123.4° | 120.0° |
| C14 | C12 | C13 | 128.3° | 124.7° |
| C14 | N15 | H1 | 112.0° | 120.0° |
| C12 | C13 | C09 | 114.0° | 115.6° |
| C12 | C13 | H131 | 123.0° | 122.2° |
| C06 | C07 | C08 | 119.1° | 120.7° |
| C07 | C06 | H061 | 120.1° | 119.9° |
| C06 | C07 | H071 | 120.4° | 119.7° |
| C13 | C09 | C08 | 126.4° | 128.9° |
| C09 | C13 | H131 | 123.0° | 122.2° |
| C09 | C08 | C07 | 121.3° | 120.6° |
| C09 | C08 | CL | 121.4° | 119.7° |
| C07 | C08 | CL | 117.3° | 119.7° |
| C08 | C07 | H071 | 120.4° | 119.7° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H033 | C03 | H032 | 109.5° | 109.5° |
| H162 | N16 | H161 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | O04 | C01 | 120.9° | 120.0° |
| C03 | C02 | O04 | H021 | 121.8° | 120.0° |
| C03 | C02 | C01 | H021 | 124.6° | 120.0° |
| C03 | C02 | O04 | C05 | 148.9° | 84.7° |
| C03 | C02 | C01 | H013 | 180.0° | 60.1° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 180.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H033 | H032 | 120.0° | 119.9° |
| O04 | C02 | C01 | H021 | 118.6° | 120.0° |
| C02 | O04 | C05 | C10 | 155.7° | 174.6° |
| C02 | O04 | C05 | C06 | 24.3° | 5.4° |
| O04 | C02 | C01 | H013 | 63.3° | 60.0° |
| O04 | C02 | C01 | H012 | 56.7° | 179.9° |
| O04 | C02 | C01 | H011 | 176.7° | 60.0° |
| O04 | C02 | C03 | H031 | 180.0° | 180.0° |
| O04 | C02 | C03 | H033 | 60.0° | 60.0° |
| O04 | C02 | C03 | H032 | 60.0° | 60.0° |
| C01 | C02 | O04 | C05 | 90.2° | 155.3° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 67.6° | 60.0° |
| C01 | C02 | C03 | H033 | 52.5° | 60.1° |
| C01 | C02 | C03 | H032 | 172.5° | 180.0° |
| O04 | C05 | C10 | S11 | 0.0° | 0.3° |
| O04 | C05 | C10 | C06 | 180.0° | 180.0° |
| O04 | C05 | C10 | C09 | 179.5° | 180.0° |
| O04 | C05 | C06 | C07 | 179.2° | 180.0° |
| C05 | O04 | C02 | H021 | 27.1° | 35.3° |
| O04 | C05 | C06 | H061 | 0.8° | 0.0° |
| N16 | C14 | C12 | S11 | 4.0° | 0.6° |
| N16 | C14 | C12 | N15 | 178.8° | 180.0° |
| N16 | C14 | C12 | C13 | 176.1° | 180.0° |
| N16 | C14 | N15 | H1 | 178.7° | 180.0° |
| C14 | N16 | H162 | H161 | 180.0° | 180.0° |
| S11 | C10 | C05 | C09 | 179.5° | 179.7° |
| S11 | C10 | C05 | C06 | 180.0° | 179.7° |
| C10 | S11 | C12 | C14 | 180.0° | 179.7° |
| C10 | S11 | C12 | C13 | 0.1° | 0.3° |
| S11 | C10 | C09 | C13 | 0.4° | 0.2° |
| S11 | C10 | C09 | C08 | 179.9° | 179.7° |
| C12 | S11 | C10 | C05 | 179.8° | 179.7° |
| C12 | S11 | C10 | C09 | 0.2° | 0.0° |
| S11 | C12 | C14 | C13 | 179.9° | 179.4° |
| S11 | C12 | C14 | N15 | 177.2° | 179.4° |
| S11 | C12 | C13 | C09 | 0.3° | 0.5° |
| S11 | C12 | C13 | H131 | 179.7° | 179.6° |
| C10 | C05 | C06 | C07 | 0.7° | 0.1° |
| C05 | C10 | C09 | C13 | 180.0° | 180.0° |
| C05 | C10 | C09 | C08 | 0.3° | 0.0° |
| C10 | C05 | C06 | H061 | 179.3° | 180.0° |
| C06 | C05 | C10 | C09 | 0.4° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.8° | 0.1° |
| C05 | C06 | C07 | H071 | 179.2° | 179.9° |
| C10 | C09 | C13 | C12 | 0.5° | 0.5° |
| C10 | C09 | C13 | C08 | 179.7° | 180.0° |
| C10 | C09 | C08 | C07 | 0.4° | 0.0° |
| C10 | C09 | C08 | CL | 180.0° | 179.9° |
| C10 | C09 | C13 | H131 | 179.5° | 179.6° |
| C14 | C12 | C13 | C09 | 179.8° | 179.9° |
| C14 | C12 | C13 | H131 | 0.2° | 0.1° |
| C12 | C14 | N15 | H1 | 0.0° | 0.0° |
| C12 | C14 | N16 | H162 | 178.8° | 0.0° |
| C12 | C14 | N16 | H161 | 1.2° | 180.0° |
| N15 | C14 | C12 | C13 | 2.6° | 0.0° |
| N15 | C14 | N16 | H162 | 0.0° | 180.0° |
| N15 | C14 | N16 | H161 | 180.0° | 0.0° |
| C12 | C13 | C09 | H131 | 180.0° | 180.0° |
| C12 | C13 | C09 | C08 | 179.8° | 179.5° |
| C06 | C07 | C08 | C09 | 0.7° | 0.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | CL | 179.7° | 180.0° |
| C13 | C09 | C08 | C07 | 179.9° | 180.0° |
| C13 | C09 | C08 | CL | 0.3° | 0.0° |
| C09 | C08 | C07 | CL | 179.7° | 180.0° |
| C08 | C09 | C13 | H131 | 0.1° | 0.5° |
| C09 | C08 | C07 | H071 | 179.3° | 180.0° |
| C08 | C07 | C06 | H061 | 179.2° | 180.0° |
| CL | C08 | C07 | H071 | 0.3° | 0.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 55.4° | 180.0° |
| H012 | C01 | C02 | H021 | 175.4° | 60.0° |
| H011 | C01 | C02 | H021 | 64.6° | 60.0° |
| H021 | C02 | C03 | H031 | 57.1° | 60.0° |
| H021 | C02 | C03 | H033 | 177.1° | 180.0° |
| H021 | C02 | C03 | H032 | 62.9° | 60.1° |
| H031 | C03 | H033 | H032 | 120.0° | 120.1° |
| H061 | C06 | C07 | H071 | 0.8° | 0.0° |
