XFC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| N3 | C2 | sing | 1.33Å | 1.36Å | |
| N3 | C4 | doub | 1.32Å | 1.34Å | |
| C2 | N1 | sing | 1.34Å | 1.40Å | |
| N4 | C4 | sing | 1.37Å | 1.35Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C4 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.35Å | 1.38Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | F2' | sing | 1.40Å | 1.40Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C5 | C6 | doub | 1.39Å | 1.36Å | |
| C5 | C5A | sing | 1.46Å | 1.46Å | |
| C5A | O5A | doub | 1.21Å | 1.22Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| O5' | P | sing | 1.61Å | 1.60Å | |
| OP2 | P | doub | 1.48Å | 1.61Å | |
| P | OP1 | sing | 1.61Å | 1.58Å | |
| P | O1 | sing | 1.61Å | 1.53Å | |
| OP1 | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C5A | H9 | sing | 1.08Å | 1.08Å | |
| C3' | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| O3' | H12 | sing | 0.97Å | 0.95Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 121.8° | 118.8° |
| O2 | C2 | N1 | 118.9° | 118.8° |
| C2 | N3 | C4 | 121.3° | 120.9° |
| N3 | C2 | N1 | 119.4° | 122.4° |
| N3 | C4 | N4 | 117.3° | 120.7° |
| N3 | C4 | C5 | 119.9° | 118.6° |
| C2 | N1 | C1' | 116.9° | 119.4° |
| C2 | N1 | C6 | 120.8° | 121.3° |
| N4 | C4 | C5 | 122.6° | 120.6° |
| C4 | N4 | H6 | 120.0° | 119.9° |
| C4 | N4 | H7 | 120.0° | 120.0° |
| O3' | C3' | C2' | 114.2° | 111.1° |
| O3' | C3' | C4' | 112.4° | 110.9° |
| O3' | C3' | H10 | 108.2° | 110.8° |
| C3' | O3' | H12 | 109.5° | 114.0° |
| N1 | C1' | C2' | 114.8° | 109.9° |
| N1 | C1' | O4' | 109.1° | 109.9° |
| C1' | N1 | C6 | 121.6° | 119.4° |
| N1 | C1' | H5 | 108.9° | 109.8° |
| C2' | C1' | O4' | 105.9° | 107.3° |
| C1' | C2' | C3' | 102.2° | 104.3° |
| C1' | C2' | F2' | 107.9° | 110.5° |
| C2' | C1' | H5 | 108.3° | 109.9° |
| C1' | C2' | H11 | 111.1° | 110.5° |
| C1' | O4' | C4' | 109.2° | 107.0° |
| O4' | C1' | H5 | 109.8° | 110.1° |
| C4 | C5 | C6 | 118.2° | 117.9° |
| C4 | C5 | C5A | 122.6° | 121.0° |
| N1 | C6 | C5 | 120.0° | 118.9° |
| N1 | C6 | H8 | 120.0° | 120.5° |
| C3' | C2' | F2' | 110.5° | 110.6° |
| C2' | C3' | C4' | 107.6° | 102.0° |
| C2' | C3' | H10 | 107.0° | 110.9° |
| C3' | C2' | H11 | 111.3° | 110.3° |
| F2' | C2' | H11 | 113.2° | 110.5° |
| C3' | C4' | O4' | 104.5° | 103.6° |
| C3' | C4' | C5' | 114.6° | 110.6° |
| C3' | C4' | H4 | 109.1° | 110.6° |
| C4' | C3' | H10 | 107.0° | 110.9° |
| O4' | C4' | C5' | 108.9° | 110.7° |
| O4' | C4' | H4 | 110.2° | 110.6° |
| C4' | C5' | O5' | 106.7° | 109.5° |
| C4' | C5' | H2 | 110.1° | 109.5° |
| C4' | C5' | H3 | 110.1° | 109.5° |
| C5' | C4' | H4 | 109.4° | 110.6° |
| C6 | C5 | C5A | 119.1° | 121.1° |
| C5 | C6 | H8 | 120.0° | 120.5° |
| C5 | C5A | O5A | 124.5° | 120.0° |
| C5 | C5A | H9 | 117.8° | 120.0° |
| O5A | C5A | H9 | 117.8° | 120.0° |
| C5' | O5' | P | 123.4° | 123.0° |
| O5' | C5' | H2 | 110.1° | 109.5° |
| O5' | C5' | H3 | 110.2° | 109.5° |
| O5' | P | OP2 | 106.2° | 109.5° |
| O5' | P | OP1 | 108.7° | 109.5° |
| O5' | P | O1 | 118.0° | 109.4° |
| OP2 | P | OP1 | 99.7° | 109.5° |
| OP2 | P | O1 | 109.7° | 109.5° |
| OP1 | P | O1 | 112.7° | 109.5° |
| P | OP1 | H1 | 109.5° | 114.0° |
| P | O1 | H13 | 109.5° | 114.0° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H6 | N4 | H7 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.7° | 180.0° |
| O2 | C2 | N3 | C4 | 179.7° | 180.0° |
| O2 | C2 | N1 | C1' | 14.8° | 0.0° |
| O2 | C2 | N1 | C6 | 174.3° | 179.7° |
| C2 | N3 | C4 | N4 | 170.1° | 180.0° |
| N3 | C2 | N1 | C1' | 165.5° | 180.0° |
| C2 | N3 | C4 | C5 | 5.1° | 0.0° |
| N3 | C2 | N1 | C6 | 5.5° | 0.3° |
| C4 | N3 | C2 | N1 | 0.0° | 0.1° |
| N3 | C4 | N4 | C5 | 175.0° | 180.0° |
| N3 | C4 | C5 | C6 | 4.9° | 0.2° |
| N3 | C4 | C5 | C5A | 172.0° | 180.0° |
| N3 | C4 | N4 | H6 | 0.0° | 5.2° |
| N3 | C4 | N4 | H7 | 180.0° | 174.7° |
| C2 | N1 | C1' | C6 | 170.8° | 179.7° |
| C2 | N1 | C1' | C2' | 82.1° | 64.7° |
| C2 | N1 | C1' | O4' | 159.3° | 53.1° |
| C2 | N1 | C6 | C5 | 5.5° | 0.5° |
| C2 | N1 | C1' | H5 | 39.5° | 174.4° |
| C2 | N1 | C6 | H8 | 174.5° | 179.7° |
| N4 | C4 | C5 | C6 | 170.0° | 179.8° |
| N4 | C4 | C5 | C5A | 13.1° | 0.0° |
| C4 | N4 | H6 | H7 | 180.0° | 180.0° |
| O3' | C3' | C2' | C1' | 111.2° | 138.9° |
| O3' | C3' | C2' | C4' | 125.5° | 118.2° |
| O3' | C3' | C2' | H10 | 119.8° | 123.6° |
| O3' | C3' | C2' | F2' | 134.1° | 102.4° |
| O3' | C3' | C4' | H10 | 118.7° | 123.6° |
| O3' | C3' | C4' | O4' | 131.2° | 155.1° |
| O3' | C3' | C4' | C5' | 109.6° | 86.3° |
| O3' | C3' | C4' | H4 | 13.4° | 36.6° |
| O3' | C3' | C2' | H11 | 7.4° | 20.2° |
| N1 | C1' | C2' | O4' | 120.4° | 119.5° |
| N1 | C1' | C2' | H5 | 121.9° | 120.9° |
| N1 | C1' | O4' | H5 | 119.3° | 121.0° |
| N1 | C1' | C2' | C3' | 149.3° | 121.6° |
| N1 | C1' | C2' | F2' | 32.8° | 2.8° |
| N1 | C1' | O4' | C4' | 158.2° | 145.9° |
| C1' | N1 | C6 | C5 | 165.0° | 179.8° |
| C1' | N1 | C6 | H8 | 15.0° | 0.0° |
| N1 | C1' | C2' | H11 | 91.9° | 119.9° |
| C2' | C1' | O4' | H5 | 116.7° | 119.5° |
| C2' | C1' | N1 | C6 | 107.0° | 115.0° |
| C1' | C2' | C3' | F2' | 114.6° | 118.8° |
| C1' | C2' | C3' | H11 | 118.7° | 118.7° |
| C1' | C2' | F2' | H11 | 123.4° | 122.6° |
| C1' | C2' | C3' | C4' | 14.3° | 20.7° |
| C2' | C1' | O4' | C4' | 34.1° | 26.5° |
| C1' | C2' | C3' | H10 | 129.0° | 97.5° |
| O4' | C1' | N1 | C6 | 11.6° | 127.1° |
| O4' | C1' | C2' | C3' | 28.9° | 2.1° |
| O4' | C1' | C2' | F2' | 87.6° | 116.7° |
| C1' | O4' | C4' | C3' | 24.0° | 40.0° |
| C1' | O4' | C4' | C5' | 147.0° | 158.5° |
| C1' | O4' | C4' | H4 | 93.1° | 78.6° |
| O4' | C1' | C2' | H11 | 147.7° | 120.7° |
| C4 | C5 | C6 | N1 | 0.4° | 0.4° |
| C4 | C5 | C6 | C5A | 177.0° | 179.8° |
| C4 | C5 | C5A | O5A | 1.6° | 5.2° |
| C5 | C4 | N4 | H6 | 175.0° | 174.8° |
| C5 | C4 | N4 | H7 | 5.0° | 5.3° |
| C4 | C5 | C6 | H8 | 179.6° | 179.7° |
| C4 | C5 | C5A | H9 | 178.4° | 174.9° |
| N1 | C6 | C5 | H8 | 180.0° | 179.8° |
| N1 | C6 | C5 | C5A | 177.4° | 179.8° |
| C6 | N1 | C1' | H5 | 131.4° | 5.9° |
| C3' | C2' | F2' | H11 | 125.6° | 122.5° |
| C2' | C3' | C4' | H10 | 114.7° | 118.1° |
| C2' | C3' | C4' | O4' | 4.6° | 36.8° |
| C2' | C3' | C4' | C5' | 123.8° | 155.4° |
| C2' | C3' | C4' | H4 | 113.2° | 81.8° |
| C3' | C2' | C1' | H5 | 88.8° | 117.5° |
| C2' | C3' | O3' | H12 | 180.0° | 67.3° |
| F2' | C2' | C3' | C4' | 100.3° | 139.4° |
| F2' | C2' | C1' | H5 | 154.7° | 123.7° |
| F2' | C2' | C3' | H10 | 14.4° | 21.3° |
| C3' | C4' | O4' | C5' | 122.9° | 118.6° |
| C3' | C4' | O4' | H4 | 117.1° | 118.6° |
| C3' | C4' | C5' | H4 | 122.9° | 122.9° |
| C3' | C4' | C5' | O5' | 50.8° | 177.2° |
| C3' | C4' | C5' | H2 | 170.3° | 62.8° |
| C3' | C4' | C5' | H3 | 68.8° | 57.2° |
| C4' | C3' | C2' | H11 | 133.0° | 98.0° |
| C4' | C3' | O3' | H12 | 57.1° | 180.0° |
| O4' | C4' | C5' | H4 | 120.5° | 122.9° |
| O4' | C4' | C5' | O5' | 65.9° | 68.6° |
| O4' | C4' | C5' | H2 | 53.7° | 51.4° |
| O4' | C4' | C5' | H3 | 174.6° | 171.4° |
| C4' | O4' | C1' | H5 | 82.6° | 93.0° |
| O4' | C4' | C3' | H10 | 110.1° | 81.3° |
| C4' | C5' | O5' | H2 | 119.5° | 120.0° |
| C4' | C5' | O5' | H3 | 119.6° | 120.0° |
| C4' | C5' | O5' | P | 143.4° | 180.0° |
| C4' | C5' | H2 | H3 | 121.3° | 120.0° |
| C5' | C4' | C3' | H10 | 9.1° | 37.3° |
| C6 | C5 | C5A | O5A | 175.3° | 174.6° |
| C6 | C5 | C5A | H9 | 4.7° | 5.4° |
| C5 | C5A | O5A | H9 | 180.0° | 180.0° |
| C5A | C5 | C6 | H8 | 2.6° | 0.1° |
| C5' | O5' | P | OP2 | 31.9° | 55.0° |
| C5' | O5' | P | OP1 | 138.4° | 175.0° |
| C5' | O5' | P | O1 | 91.7° | 65.0° |
| O5' | C5' | H2 | H3 | 121.3° | 120.0° |
| O5' | C5' | C4' | H4 | 173.7° | 54.3° |
| O5' | P | OP2 | OP1 | 112.9° | 120.0° |
| O5' | P | OP2 | O1 | 128.6° | 119.9° |
| O5' | P | OP1 | O1 | 132.8° | 120.0° |
| O5' | P | OP1 | H1 | 110.9° | 180.0° |
| P | O5' | C5' | H2 | 23.9° | 60.0° |
| P | O5' | C5' | H3 | 97.0° | 60.0° |
| O5' | P | O1 | H13 | 121.8° | 60.0° |
| OP2 | P | OP1 | O1 | 116.3° | 120.0° |
| OP2 | P | OP1 | H1 | 0.0° | 60.0° |
| OP2 | P | O1 | H13 | 0.0° | 180.0° |
| OP1 | P | O1 | H13 | 110.1° | 60.0° |
| O1 | P | OP1 | H1 | 116.3° | 60.0° |
| H2 | C5' | C4' | H4 | 66.8° | 174.3° |
| H3 | C5' | C4' | H4 | 54.1° | 65.7° |
| H4 | C4' | C3' | H10 | 132.1° | 160.1° |
| H5 | C1' | C2' | H11 | 30.0° | 1.0° |
| H10 | C3' | C2' | H11 | 112.3° | 143.9° |
| H10 | C3' | O3' | H12 | 60.9° | 56.3° |
