A1BFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | doub | 1.30Å | 1.32Å | |
| C2 | C3 | sing | 1.50Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| C6 | O1 | doub | 1.22Å | 1.22Å | |
| C6 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C1 | C5 | sing | 1.50Å | 1.50Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 122.4° | 118.2° |
| F1 | C1 | C5 | 113.3° | 118.2° |
| C1 | C2 | C3 | 122.4° | 124.6° |
| C2 | C1 | C5 | 124.3° | 123.6° |
| C1 | C2 | H1 | 118.8° | 117.7° |
| C2 | C3 | C4 | 109.7° | 110.3° |
| C3 | C2 | H1 | 118.8° | 117.7° |
| C2 | C3 | H2 | 109.4° | 109.3° |
| C2 | C3 | H3 | 109.4° | 109.3° |
| C3 | C4 | N1 | 108.2° | 107.9° |
| C3 | C4 | H5 | 109.8° | 109.8° |
| C3 | C4 | H4 | 109.8° | 109.9° |
| C4 | C3 | H2 | 109.4° | 108.8° |
| C4 | C3 | H3 | 109.4° | 109.9° |
| C4 | N1 | C5 | 111.3° | 117.3° |
| C4 | N1 | C6 | 121.4° | 121.4° |
| N1 | C4 | H5 | 109.8° | 109.7° |
| N1 | C4 | H4 | 109.8° | 109.8° |
| C5 | N1 | C6 | 126.3° | 121.4° |
| N1 | C5 | C1 | 106.8° | 109.1° |
| N1 | C5 | H6 | 110.1° | 109.5° |
| N1 | C5 | H7 | 110.1° | 109.6° |
| N1 | C6 | O1 | 120.3° | 120.0° |
| N1 | C6 | N2 | 118.9° | 120.0° |
| O1 | C6 | N2 | 120.5° | 120.0° |
| C6 | N2 | C7 | 120.6° | 121.0° |
| C6 | N2 | C10 | 125.4° | 121.0° |
| N2 | C7 | C8 | 108.5° | 108.4° |
| C7 | N2 | C10 | 113.7° | 118.1° |
| N2 | C7 | H8 | 109.7° | 109.7° |
| N2 | C7 | H9 | 109.7° | 109.7° |
| C7 | C8 | O2 | 111.0° | 109.2° |
| C8 | C7 | H8 | 109.7° | 109.7° |
| C8 | C7 | H9 | 109.7° | 109.6° |
| C7 | C8 | H10 | 109.1° | 109.5° |
| C7 | C8 | H11 | 109.1° | 109.5° |
| C8 | O2 | C9 | 109.6° | 114.2° |
| O2 | C8 | H10 | 109.1° | 109.5° |
| O2 | C8 | H11 | 109.1° | 109.5° |
| O2 | C9 | C10 | 111.4° | 109.2° |
| O2 | C9 | H12 | 109.0° | 109.5° |
| O2 | C9 | H13 | 109.0° | 109.6° |
| C9 | C10 | N2 | 110.1° | 108.4° |
| C9 | C10 | H14 | 109.3° | 109.7° |
| C9 | C10 | H15 | 109.3° | 109.7° |
| C10 | C9 | H12 | 109.0° | 109.5° |
| C10 | C9 | H13 | 109.0° | 109.5° |
| C1 | C5 | H6 | 110.1° | 109.5° |
| C1 | C5 | H7 | 110.1° | 109.5° |
| N2 | C10 | H14 | 109.3° | 109.7° |
| N2 | C10 | H15 | 109.3° | 109.7° |
| H5 | C4 | H4 | 109.5° | 109.8° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.7° |
| H10 | C8 | H11 | 109.5° | 109.6° |
| H14 | C10 | H15 | 109.5° | 109.7° |
| H2 | C3 | H3 | 109.4° | 109.2° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C5 | 179.5° | 179.5° |
| F1 | C1 | C2 | C3 | 176.1° | 179.1° |
| F1 | C1 | C5 | N1 | 162.9° | 169.4° |
| F1 | C1 | C5 | H6 | 77.5° | 49.6° |
| F1 | C1 | C5 | H7 | 43.3° | 70.5° |
| F1 | C1 | C2 | H1 | 3.9° | 0.4° |
| C1 | C2 | C3 | H1 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 10.7° | 19.7° |
| C2 | C1 | C5 | N1 | 16.7° | 11.1° |
| C2 | C1 | C5 | H6 | 102.9° | 130.9° |
| C2 | C1 | C5 | H7 | 136.2° | 109.0° |
| C1 | C2 | C3 | H2 | 130.7° | 139.3° |
| C1 | C2 | C3 | H3 | 109.4° | 101.2° |
| C2 | C3 | C4 | H2 | 120.0° | 119.9° |
| C2 | C3 | C4 | H3 | 120.1° | 120.6° |
| C2 | C3 | C4 | N1 | 45.8° | 45.9° |
| C3 | C2 | C1 | C5 | 4.3° | 1.4° |
| C2 | C3 | C4 | H5 | 74.0° | 73.6° |
| C2 | C3 | C4 | H4 | 165.6° | 165.5° |
| C2 | C3 | H2 | H3 | 119.9° | 119.6° |
| C3 | C4 | N1 | H5 | 119.8° | 119.6° |
| C3 | C4 | N1 | H4 | 119.8° | 119.7° |
| C3 | C4 | N1 | C5 | 72.0° | 61.9° |
| C3 | C4 | N1 | C6 | 97.7° | 117.9° |
| C3 | C4 | H5 | H4 | 120.6° | 120.9° |
| C4 | C3 | C2 | H1 | 169.3° | 160.8° |
| C4 | C3 | H2 | H3 | 119.9° | 119.9° |
| C4 | N1 | C5 | C6 | 169.1° | 179.8° |
| C4 | N1 | C6 | O1 | 11.4° | 17.2° |
| C4 | N1 | C6 | N2 | 175.5° | 162.8° |
| C4 | N1 | C5 | C1 | 54.3° | 42.8° |
| N1 | C4 | H5 | H4 | 120.6° | 120.7° |
| C4 | N1 | C5 | H6 | 65.3° | 162.7° |
| C4 | N1 | C5 | H7 | 173.8° | 77.1° |
| N1 | C4 | C3 | H2 | 165.9° | 165.8° |
| N1 | C4 | C3 | H3 | 74.2° | 74.7° |
| C5 | N1 | C6 | O1 | 156.7° | 162.6° |
| C5 | N1 | C6 | N2 | 16.5° | 17.3° |
| N1 | C5 | C1 | H6 | 119.6° | 119.9° |
| N1 | C5 | C1 | H7 | 119.6° | 120.0° |
| C5 | N1 | C4 | H5 | 47.8° | 57.6° |
| C5 | N1 | C4 | H4 | 168.2° | 178.4° |
| N1 | C5 | H6 | H7 | 121.2° | 120.3° |
| N1 | C6 | O1 | N2 | 173.1° | 180.0° |
| N1 | C6 | N2 | C7 | 143.4° | 9.2° |
| C6 | N1 | C5 | C1 | 114.8° | 137.0° |
| N1 | C6 | N2 | C10 | 42.2° | 170.8° |
| C6 | N1 | C4 | H5 | 142.5° | 122.5° |
| C6 | N1 | C4 | H4 | 22.1° | 1.8° |
| C6 | N1 | C5 | H6 | 125.6° | 17.2° |
| C6 | N1 | C5 | H7 | 4.8° | 103.0° |
| O1 | C6 | N2 | C7 | 29.7° | 170.9° |
| O1 | C6 | N2 | C10 | 144.7° | 9.1° |
| C6 | N2 | C7 | C10 | 175.0° | 180.0° |
| C6 | N2 | C7 | C8 | 122.7° | 129.5° |
| C6 | N2 | C10 | C9 | 124.1° | 129.5° |
| C6 | N2 | C7 | H8 | 2.8° | 110.8° |
| C6 | N2 | C7 | H9 | 117.5° | 9.8° |
| C6 | N2 | C10 | H14 | 4.0° | 9.7° |
| C6 | N2 | C10 | H15 | 115.8° | 110.8° |
| N2 | C7 | C8 | H8 | 119.9° | 119.7° |
| N2 | C7 | C8 | H9 | 119.8° | 119.8° |
| N2 | C7 | C8 | O2 | 58.2° | 52.3° |
| C7 | N2 | C10 | C9 | 50.6° | 50.5° |
| N2 | C7 | H8 | H9 | 120.4° | 120.6° |
| N2 | C7 | C8 | H10 | 62.0° | 67.6° |
| N2 | C7 | C8 | H11 | 178.4° | 172.2° |
| C7 | N2 | C10 | H14 | 170.7° | 170.3° |
| C7 | N2 | C10 | H15 | 69.5° | 69.2° |
| C7 | C8 | O2 | H10 | 120.3° | 119.9° |
| C7 | C8 | O2 | H11 | 120.2° | 119.9° |
| C7 | C8 | O2 | C9 | 63.4° | 62.6° |
| C8 | C7 | N2 | C10 | 52.3° | 50.5° |
| C8 | C7 | H8 | H9 | 120.4° | 120.5° |
| C7 | C8 | H10 | H11 | 119.3° | 120.1° |
| C8 | O2 | C9 | C10 | 60.8° | 62.6° |
| O2 | C8 | C7 | H8 | 178.1° | 67.4° |
| O2 | C8 | C7 | H9 | 61.6° | 172.1° |
| O2 | C8 | H10 | H11 | 119.3° | 120.2° |
| C8 | O2 | C9 | H12 | 59.5° | 177.5° |
| C8 | O2 | C9 | H13 | 178.9° | 57.3° |
| O2 | C9 | C10 | H12 | 120.3° | 119.9° |
| O2 | C9 | C10 | H13 | 120.3° | 120.0° |
| O2 | C9 | C10 | N2 | 53.8° | 52.3° |
| C9 | O2 | C8 | H10 | 56.8° | 57.3° |
| C9 | O2 | C8 | H11 | 176.3° | 177.5° |
| O2 | C9 | C10 | H14 | 173.9° | 172.0° |
| O2 | C9 | C10 | H15 | 66.2° | 67.5° |
| O2 | C9 | H12 | H13 | 119.1° | 120.2° |
| C9 | C10 | N2 | H14 | 120.1° | 119.7° |
| C9 | C10 | N2 | H15 | 120.1° | 119.7° |
| C9 | C10 | H14 | H15 | 119.7° | 120.5° |
| C10 | C9 | H12 | H13 | 119.2° | 120.1° |
| C1 | C5 | H6 | H7 | 121.2° | 120.1° |
| C5 | C1 | C2 | H1 | 175.6° | 179.2° |
| C10 | N2 | C7 | H8 | 172.2° | 69.2° |
| C10 | N2 | C7 | H9 | 67.5° | 170.2° |
| N2 | C10 | H14 | H15 | 119.7° | 120.5° |
| N2 | C10 | C9 | H12 | 66.4° | 172.2° |
| N2 | C10 | C9 | H13 | 174.1° | 67.7° |
| H5 | C4 | C3 | H2 | 46.1° | 46.3° |
| H5 | C4 | C3 | H3 | 166.0° | 165.8° |
| H4 | C4 | C3 | H2 | 74.3° | 74.6° |
| H4 | C4 | C3 | H3 | 45.6° | 44.9° |
| H8 | C7 | C8 | H10 | 57.8° | 172.7° |
| H8 | C7 | C8 | H11 | 61.7° | 52.5° |
| H9 | C7 | C8 | H10 | 178.1° | 52.1° |
| H9 | C7 | C8 | H11 | 58.6° | 68.0° |
| H14 | C10 | C9 | H12 | 53.7° | 68.0° |
| H14 | C10 | C9 | H13 | 65.8° | 52.0° |
| H15 | C10 | C9 | H12 | 173.5° | 52.5° |
| H15 | C10 | C9 | H13 | 54.1° | 172.5° |
| H1 | C2 | C3 | H2 | 49.3° | 41.2° |
| H1 | C2 | C3 | H3 | 70.6° | 78.2° |






