F98
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.27Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | C11 | sing | 1.51Å | 1.50Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| N1 | O2 | sing | 1.42Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | PA1 | sing | 1.82Å | 1.71Å | |
| PA1 | OP1 | sing | 1.61Å | 1.50Å | |
| PA1 | OP2 | doub | 1.48Å | 1.50Å | |
| PA1 | OP3 | sing | 1.61Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 121.4° | 120.0° |
| N1 | C1 | C11 | 119.5° | 120.0° |
| C1 | N1 | C2 | 127.8° | 120.0° |
| C1 | N1 | O2 | 117.9° | 120.0° |
| O1 | C1 | C11 | 119.0° | 120.0° |
| C1 | C11 | H11 | 109.5° | 109.5° |
| C1 | C11 | H11A | 109.5° | 109.5° |
| C1 | C11 | H11B | 109.5° | 109.5° |
| C2 | N1 | O2 | 114.2° | 120.0° |
| N1 | C2 | C3 | 100.6° | 109.5° |
| N1 | C2 | H2 | 112.5° | 109.5° |
| N1 | C2 | H2A | 112.5° | 109.5° |
| N1 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 113.3° | 109.5° |
| C3 | C2 | H2 | 112.6° | 109.4° |
| C3 | C2 | H2A | 112.5° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.4° |
| C2 | C3 | H3A | 108.2° | 109.4° |
| C3 | C4 | PA1 | 116.6° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C4 | C3 | H3A | 108.2° | 109.5° |
| C3 | C4 | H4 | 107.1° | 109.4° |
| C3 | C4 | H4A | 107.2° | 109.5° |
| C4 | PA1 | OP1 | 104.9° | 109.5° |
| C4 | PA1 | OP2 | 106.0° | 109.5° |
| C4 | PA1 | OP3 | 104.5° | 109.5° |
| PA1 | C4 | H4 | 107.2° | 109.5° |
| PA1 | C4 | H4A | 107.1° | 109.5° |
| OP1 | PA1 | OP2 | 114.3° | 109.5° |
| OP1 | PA1 | OP3 | 113.2° | 109.5° |
| PA1 | OP1 | HOP1 | 109.5° | 114.0° |
| OP2 | PA1 | OP3 | 112.7° | 109.4° |
| PA1 | OP3 | HOP3 | 109.5° | 114.0° |
| H2 | C2 | H2A | 106.3° | 109.5° |
| H3 | C3 | H3A | 110.7° | 109.5° |
| H4 | C4 | H4A | 111.7° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | C11 | 179.6° | 179.7° |
| C1 | N1 | C2 | O2 | 176.8° | 180.0° |
| C1 | N1 | C2 | C3 | 91.2° | 75.0° |
| C1 | N1 | C2 | H2 | 28.8° | 165.0° |
| C1 | N1 | C2 | H2A | 148.8° | 45.0° |
| C1 | N1 | O2 | HO2 | 0.2° | 180.0° |
| N1 | C1 | C11 | H11 | 179.6° | 0.0° |
| N1 | C1 | C11 | H11A | 60.4° | 120.0° |
| N1 | C1 | C11 | H11B | 59.6° | 120.0° |
| O1 | C1 | N1 | C2 | 177.1° | 0.0° |
| O1 | C1 | N1 | O2 | 0.5° | 180.0° |
| O1 | C1 | C11 | H11 | 0.0° | 179.7° |
| O1 | C1 | C11 | H11A | 120.0° | 60.3° |
| O1 | C1 | C11 | H11B | 120.0° | 59.7° |
| C11 | C1 | N1 | C2 | 2.4° | 179.7° |
| C11 | C1 | N1 | O2 | 179.1° | 0.3° |
| C1 | C11 | H11 | H11A | 120.0° | 120.0° |
| C1 | C11 | H11 | H11B | 120.0° | 120.0° |
| C1 | C11 | H11A | H11B | 120.0° | 120.0° |
| N1 | C2 | C3 | H2 | 120.0° | 120.0° |
| N1 | C2 | C3 | H2A | 120.0° | 120.0° |
| N1 | C2 | C3 | C4 | 159.1° | 180.0° |
| N1 | C2 | H2 | H2A | 123.6° | 120.0° |
| C2 | N1 | O2 | HO2 | 177.3° | 0.0° |
| N1 | C2 | C3 | H3 | 39.1° | 60.0° |
| N1 | C2 | C3 | H3A | 80.9° | 60.0° |
| O2 | N1 | C2 | C3 | 85.5° | 105.0° |
| O2 | N1 | C2 | H2 | 154.5° | 15.0° |
| O2 | N1 | C2 | H2A | 34.5° | 135.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | C4 | PA1 | 170.3° | 180.0° |
| C3 | C2 | H2 | H2A | 123.6° | 120.0° |
| C2 | C3 | H3 | H3A | 118.5° | 119.9° |
| C2 | C3 | C4 | H4 | 69.7° | 60.0° |
| C2 | C3 | C4 | H4A | 50.3° | 60.0° |
| C3 | C4 | PA1 | H4 | 120.0° | 120.0° |
| C3 | C4 | PA1 | H4A | 120.0° | 120.0° |
| C3 | C4 | PA1 | OP1 | 50.7° | 65.0° |
| C3 | C4 | PA1 | OP2 | 70.6° | 55.0° |
| C3 | C4 | PA1 | OP3 | 170.1° | 174.9° |
| C4 | C3 | C2 | H2 | 80.9° | 60.0° |
| C4 | C3 | C2 | H2A | 39.1° | 60.0° |
| C4 | C3 | H3 | H3A | 118.4° | 120.0° |
| C3 | C4 | H4 | H4A | 117.1° | 120.0° |
| C4 | PA1 | OP1 | OP2 | 115.7° | 120.0° |
| C4 | PA1 | OP1 | OP3 | 113.3° | 120.0° |
| C4 | PA1 | OP2 | OP3 | 113.7° | 120.0° |
| PA1 | C4 | C3 | H3 | 50.3° | 60.0° |
| PA1 | C4 | C3 | H3A | 69.7° | 60.0° |
| PA1 | C4 | H4 | H4A | 117.0° | 120.0° |
| C4 | PA1 | OP1 | HOP1 | 115.7° | 60.0° |
| C4 | PA1 | OP3 | HOP3 | 114.6° | 180.0° |
| OP1 | PA1 | OP2 | OP3 | 131.2° | 120.0° |
| OP1 | PA1 | C4 | H4 | 69.3° | 175.0° |
| OP1 | PA1 | C4 | H4A | 170.7° | 55.0° |
| OP1 | PA1 | OP3 | HOP3 | 131.8° | 59.9° |
| OP2 | PA1 | C4 | H4 | 169.4° | 65.0° |
| OP2 | PA1 | C4 | H4A | 49.4° | 175.0° |
| OP2 | PA1 | OP1 | HOP1 | 0.0° | 180.0° |
| OP2 | PA1 | OP3 | HOP3 | 0.0° | 60.1° |
| OP3 | PA1 | C4 | H4 | 50.1° | 55.0° |
| OP3 | PA1 | C4 | H4A | 69.9° | 65.0° |
| OP3 | PA1 | OP1 | HOP1 | 131.0° | 60.0° |
| H2 | C2 | C3 | H3 | 159.1° | NaN° |
| H2 | C2 | C3 | H3A | 39.1° | 60.1° |
| H2A | C2 | C3 | H3 | 80.9° | 60.0° |
| H2A | C2 | C3 | H3A | 159.1° | 180.0° |
| H3 | C3 | C4 | H4 | 170.3° | 180.0° |
| H3 | C3 | C4 | H4A | 69.7° | 60.0° |
| H3A | C3 | C4 | H4 | 50.3° | 60.0° |
| H3A | C3 | C4 | H4A | 170.3° | 180.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
