YFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C04 | C03 | sing | 1.55Å | 1.44Å | |
| S05 | C04 | sing | 1.84Å | 1.76Å | |
| O06 | S05 | doub | 1.42Å | 1.49Å | |
| O07 | S05 | doub | 1.42Å | 1.48Å | |
| C08 | S05 | sing | 1.83Å | 1.79Å | |
| C03 | C02 | sing | 1.53Å | 1.86Å | |
| N09 | C02 | sing | 1.47Å | 1.33Å | |
| C10 | N09 | sing | 1.35Å | 1.47Å | |
| O11 | C10 | doub | 1.21Å | 1.18Å | |
| C12 | C10 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C02 | C08 | sing | 1.54Å | 1.41Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 108.0° | 109.0° |
| C01 | C02 | N09 | 115.6° | 108.9° |
| C01 | C02 | C08 | 111.3° | 108.9° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C03 | C04 | S05 | 106.7° | 101.2° |
| C04 | C03 | C02 | 104.3° | 108.7° |
| C04 | C03 | H031 | 110.7° | 109.6° |
| C04 | C03 | H032 | 110.8° | 109.6° |
| C03 | C04 | H042 | 110.1° | 111.1° |
| C03 | C04 | H041 | 110.1° | 111.1° |
| C04 | S05 | O06 | 115.2° | 109.6° |
| C04 | S05 | O07 | 108.3° | 109.8° |
| C04 | S05 | C08 | 102.2° | 95.3° |
| S05 | C04 | H042 | 110.1° | 111.0° |
| S05 | C04 | H041 | 110.2° | 111.1° |
| O06 | S05 | O07 | 116.9° | 120.1° |
| O06 | S05 | C08 | 102.2° | 109.6° |
| O07 | S05 | C08 | 110.9° | 109.6° |
| S05 | C08 | C02 | 102.6° | 105.3° |
| S05 | C08 | H082 | 111.2° | 110.3° |
| S05 | C08 | H081 | 111.2° | 110.3° |
| C03 | C02 | N09 | 105.5° | 108.8° |
| C03 | C02 | C08 | 103.9° | 112.3° |
| C02 | C03 | H031 | 110.7° | 109.6° |
| C02 | C03 | H032 | 110.7° | 109.6° |
| C02 | N09 | C10 | 125.6° | 120.0° |
| N09 | C02 | C08 | 111.7° | 108.9° |
| C02 | N09 | H091 | 117.2° | 120.0° |
| N09 | C10 | O11 | 122.1° | 120.0° |
| N09 | C10 | C12 | 116.7° | 120.0° |
| C10 | N09 | H091 | 117.2° | 120.0° |
| O11 | C10 | C12 | 121.2° | 120.0° |
| C10 | C12 | C13 | 111.9° | 117.5° |
| C10 | C12 | C14 | 120.8° | 117.5° |
| C10 | C12 | H121 | 117.0° | 115.5° |
| C12 | C13 | C14 | 60.2° | 60.0° |
| C13 | C12 | C14 | 59.8° | 60.0° |
| C12 | C13 | H132 | 120.0° | 117.5° |
| C12 | C13 | H131 | 119.9° | 117.5° |
| C13 | C12 | H121 | 117.1° | 117.5° |
| C13 | C14 | C12 | 60.0° | 60.0° |
| C14 | C13 | H132 | 120.0° | 117.5° |
| C14 | C13 | H131 | 120.0° | 117.6° |
| C13 | C14 | H142 | 120.0° | 117.5° |
| C13 | C14 | H141 | 120.0° | 117.5° |
| C02 | C08 | H082 | 111.2° | 110.3° |
| C02 | C08 | H081 | 111.2° | 110.2° |
| C14 | C12 | H121 | 117.1° | 117.6° |
| C12 | C14 | H142 | 120.0° | 117.5° |
| C12 | C14 | H141 | 120.0° | 117.5° |
| H132 | C13 | H131 | 109.5° | 115.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.7° |
| H042 | C04 | H041 | 109.5° | 111.0° |
| H082 | C08 | H081 | 109.5° | 110.3° |
| H142 | C14 | H141 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 164.2° | 150.7° |
| C01 | C02 | C08 | S05 | 157.9° | 123.1° |
| C01 | C02 | C03 | N09 | 124.1° | 118.6° |
| C01 | C02 | C03 | C08 | 118.3° | 120.8° |
| C01 | C02 | N09 | C08 | 128.6° | 118.6° |
| C01 | C02 | N09 | C10 | 54.9° | 59.3° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 76.6° | 30.9° |
| C01 | C02 | C03 | H032 | 45.0° | 89.6° |
| C01 | C02 | C08 | H082 | 39.0° | 117.9° |
| C01 | C02 | C08 | H081 | 83.2° | 4.2° |
| C01 | C02 | N09 | H091 | 125.1° | 120.7° |
| C03 | C04 | S05 | H042 | 119.5° | 117.9° |
| C03 | C04 | S05 | H041 | 119.5° | 118.0° |
| C03 | C04 | S05 | O06 | 110.7° | 149.0° |
| C03 | C04 | S05 | O07 | 116.3° | 77.1° |
| C03 | C04 | S05 | C08 | 0.8° | 35.9° |
| C04 | C03 | C02 | H031 | 119.1° | 119.8° |
| C04 | C03 | C02 | H032 | 119.2° | 119.7° |
| C04 | C03 | C02 | N09 | 71.7° | 90.7° |
| C04 | C03 | C02 | C08 | 45.9° | 29.9° |
| C04 | C03 | H031 | H032 | 122.4° | 120.4° |
| C03 | C04 | H042 | H041 | 121.3° | 124.1° |
| C04 | S05 | O06 | O07 | 128.9° | 128.4° |
| C04 | S05 | O06 | C08 | 109.9° | 103.4° |
| C04 | S05 | O07 | C08 | 111.4° | 103.5° |
| S05 | C04 | C03 | C02 | 23.1° | 41.9° |
| C04 | S05 | C08 | C02 | 29.4° | 20.3° |
| S05 | C04 | C03 | H031 | 142.3° | 77.9° |
| S05 | C04 | C03 | H032 | 96.0° | 161.6° |
| S05 | C04 | H042 | H041 | 121.3° | 124.1° |
| C04 | S05 | C08 | H082 | 89.5° | 98.7° |
| C04 | S05 | C08 | H081 | 148.3° | 139.3° |
| O06 | S05 | O07 | C08 | 116.5° | 128.2° |
| O06 | S05 | C08 | C02 | 90.0° | 133.3° |
| O06 | S05 | C04 | H042 | 129.7° | 93.1° |
| O06 | S05 | C04 | H041 | 8.8° | 31.0° |
| O06 | S05 | C08 | H082 | 151.1° | 14.3° |
| O06 | S05 | C08 | H081 | 28.8° | 107.7° |
| O07 | S05 | C08 | C02 | 144.7° | 92.9° |
| O07 | S05 | C04 | H042 | 3.2° | 40.8° |
| O07 | S05 | C04 | H041 | 124.2° | 164.8° |
| O07 | S05 | C08 | H082 | 25.8° | 148.1° |
| O07 | S05 | C08 | H081 | 96.4° | 26.0° |
| S05 | C08 | C02 | C03 | 42.0° | 2.3° |
| S05 | C08 | C02 | N09 | 71.3° | 118.3° |
| S05 | C08 | C02 | H082 | 118.9° | 119.0° |
| S05 | C08 | C02 | H081 | 118.9° | 118.9° |
| C08 | S05 | C04 | H042 | 120.4° | 153.9° |
| C08 | S05 | C04 | H041 | 118.7° | 82.1° |
| S05 | C08 | H082 | H081 | 123.2° | 122.0° |
| C03 | C02 | N09 | C08 | 112.2° | 122.7° |
| C03 | C02 | N09 | C10 | 174.0° | 59.3° |
| C03 | C02 | C01 | H013 | 180.0° | 177.2° |
| C03 | C02 | C01 | H012 | 60.0° | 57.2° |
| C03 | C02 | C01 | H011 | 60.0° | 62.8° |
| C02 | C03 | H031 | H032 | 122.4° | 120.4° |
| C02 | C03 | C04 | H042 | 142.6° | 159.8° |
| C02 | C03 | C04 | H041 | 96.4° | 76.2° |
| C03 | C02 | C08 | H082 | 76.9° | 121.3° |
| C03 | C02 | C08 | H081 | 160.9° | 116.6° |
| C03 | C02 | N09 | H091 | 6.0° | 120.7° |
| C02 | N09 | C10 | H091 | 180.0° | 180.0° |
| C02 | N09 | C10 | O11 | 0.2° | 0.3° |
| C02 | N09 | C10 | C12 | 179.2° | 180.0° |
| N09 | C02 | C01 | H013 | 62.2° | 58.6° |
| N09 | C02 | C01 | H012 | 57.8° | 61.3° |
| N09 | C02 | C01 | H011 | 177.8° | 178.7° |
| N09 | C02 | C03 | H031 | 47.4° | 149.5° |
| N09 | C02 | C03 | H032 | 169.1° | 29.0° |
| N09 | C02 | C08 | H082 | 169.9° | 0.7° |
| N09 | C02 | C08 | H081 | 47.6° | 122.8° |
| N09 | C10 | O11 | C12 | 179.4° | 179.7° |
| N09 | C10 | C12 | C13 | 98.6° | 180.0° |
| C10 | N09 | C02 | C08 | 73.8° | 178.0° |
| N09 | C10 | C12 | C14 | 165.5° | 111.4° |
| N09 | C10 | C12 | H121 | 40.5° | 34.3° |
| O11 | C10 | C12 | C13 | 80.8° | 0.3° |
| O11 | C10 | C12 | C14 | 13.9° | 68.9° |
| O11 | C10 | C12 | H121 | 140.1° | 145.4° |
| O11 | C10 | N09 | H091 | 179.8° | 179.7° |
| C10 | C12 | C13 | C14 | 113.8° | 107.5° |
| C10 | C12 | C13 | H121 | 139.1° | 144.9° |
| C10 | C12 | C14 | H121 | 153.9° | 145.0° |
| C10 | C12 | C13 | H132 | 4.3° | 0.0° |
| C10 | C12 | C13 | H131 | 136.6° | 144.9° |
| C10 | C12 | C14 | H142 | 10.5° | 0.1° |
| C10 | C12 | C14 | H141 | 151.6° | 145.0° |
| C12 | C10 | N09 | H091 | 0.8° | 0.0° |
| C12 | C13 | C14 | H132 | 109.5° | 107.5° |
| C12 | C13 | C14 | H131 | 109.5° | 107.4° |
| C13 | C12 | C14 | H121 | 107.1° | 107.5° |
| C12 | C13 | H132 | H131 | 144.6° | 145.6° |
| C12 | C13 | C14 | H142 | 109.5° | 107.5° |
| C12 | C13 | C14 | H141 | 109.5° | 107.4° |
| C14 | C13 | H132 | H131 | 144.7° | 145.8° |
| C13 | C14 | H142 | H141 | 144.7° | 145.8° |
| C08 | C02 | C01 | H013 | 66.6° | 60.0° |
| C08 | C02 | C01 | H012 | 173.4° | 180.0° |
| C08 | C02 | C01 | H011 | 53.4° | 60.1° |
| C08 | C02 | C03 | H031 | 165.1° | 89.9° |
| C08 | C02 | C03 | H032 | 73.2° | 149.6° |
| C02 | C08 | H082 | H081 | 123.2° | 122.0° |
| C08 | C02 | N09 | H091 | 106.3° | 2.0° |
| C12 | C14 | H142 | H141 | 144.7° | 145.6° |
| H132 | C13 | C12 | H121 | 143.4° | 144.9° |
| H132 | C13 | C14 | H142 | 0.0° | 0.0° |
| H132 | C13 | C14 | H141 | 141.0° | 145.1° |
| H131 | C13 | C12 | H121 | 2.5° | 0.0° |
| H131 | C13 | C14 | H142 | 141.0° | 145.1° |
| H131 | C13 | C14 | H141 | 0.0° | 0.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H031 | C03 | C04 | H042 | 98.2° | 40.0° |
| H031 | C03 | C04 | H041 | 22.7° | 164.1° |
| H032 | C03 | C04 | H042 | 23.5° | 80.4° |
| H032 | C03 | C04 | H041 | 144.4° | 43.6° |
| H121 | C12 | C14 | H142 | 143.4° | 145.0° |
| H121 | C12 | C14 | H141 | 2.3° | 0.0° |
