KZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S | doub | 1.45Å | 1.46Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C6' | C1' | sing | 1.53Å | 1.53Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| S | O2 | doub | 1.45Å | 1.46Å | |
| S | O3 | sing | 1.45Å | 1.46Å | |
| S | C2 | sing | 1.81Å | 1.78Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| C1' | N | sing | 1.47Å | 1.50Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C3' | C2' | sing | 1.53Å | 1.52Å | |
| C3' | H3'2 | sing | 1.09Å | 1.10Å | |
| C3' | H3'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C1' | HC'1 | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.09Å | 1.10Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C1 | HC11 | sing | 1.09Å | 1.10Å | |
| C1 | HC12 | sing | 1.09Å | 1.10Å | |
| C2 | HC21 | sing | 1.09Å | 1.10Å | |
| C2 | HC22 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4'2 | sing | 1.09Å | 1.10Å | |
| C4' | H4'1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O2 | 112.7° | 110.2° |
| O1 | S | O3 | 112.6° | 110.1° |
| O1 | S | C2 | 106.3° | 108.8° |
| C6' | C5' | C4' | 110.8° | 109.5° |
| C5' | C6' | C1' | 112.2° | 109.5° |
| C5' | C6' | H6'2 | 108.8° | 109.4° |
| C5' | C6' | H6'1 | 108.8° | 109.4° |
| C6' | C5' | H5'2 | 109.1° | 109.5° |
| C6' | C5' | H5'1 | 109.1° | 109.4° |
| C5' | C4' | C3' | 110.4° | 109.5° |
| C4' | C5' | H5'2 | 109.1° | 109.5° |
| C4' | C5' | H5'1 | 109.2° | 109.5° |
| C5' | C4' | H4'2 | 109.2° | 109.5° |
| C5' | C4' | H4'1 | 109.3° | 109.4° |
| C6' | C1' | N | 110.1° | 109.4° |
| C6' | C1' | C2' | 111.8° | 109.5° |
| C6' | C1' | HC'1 | 108.6° | 109.5° |
| C1' | C6' | H6'2 | 108.8° | 109.5° |
| C1' | C6' | H6'1 | 108.8° | 109.5° |
| C4' | C3' | C2' | 110.8° | 109.5° |
| C4' | C3' | H3'2 | 109.1° | 109.5° |
| C4' | C3' | H3'1 | 109.1° | 109.5° |
| C3' | C4' | H4'2 | 109.2° | 109.5° |
| C3' | C4' | H4'1 | 109.2° | 109.5° |
| O2 | S | O3 | 112.6° | 110.1° |
| O2 | S | C2 | 106.3° | 108.8° |
| O3 | S | C2 | 105.6° | 108.8° |
| S | C2 | C1 | 112.9° | 109.5° |
| S | C2 | HC21 | 108.6° | 109.5° |
| S | C2 | HC22 | 108.6° | 109.5° |
| C2 | C1 | N | 110.2° | 109.4° |
| C2 | C1 | HC11 | 109.3° | 109.5° |
| C2 | C1 | HC12 | 109.3° | 109.4° |
| C1 | C2 | HC21 | 108.6° | 109.5° |
| C1 | C2 | HC22 | 108.6° | 109.4° |
| C1 | N | C1' | 116.3° | 109.5° |
| C1 | N | HN | 107.7° | 109.5° |
| C1 | N | H9 | 107.7° | 109.5° |
| N | C1 | HC11 | 109.3° | 109.5° |
| N | C1 | HC12 | 109.3° | 109.4° |
| N | C1' | C2' | 108.7° | 109.5° |
| N | C1' | HC'1 | 109.0° | 109.4° |
| C1' | N | HN | 107.8° | 109.5° |
| C1' | N | H9 | 107.7° | 109.4° |
| C1' | C2' | C3' | 112.1° | 109.4° |
| C1' | C2' | H2'2 | 108.8° | 109.5° |
| C1' | C2' | H2'1 | 108.8° | 109.5° |
| C2' | C1' | HC'1 | 108.6° | 109.5° |
| C2' | C3' | H3'2 | 109.2° | 109.5° |
| C2' | C3' | H3'1 | 109.1° | 109.4° |
| C3' | C2' | H2'2 | 108.8° | 109.4° |
| C3' | C2' | H2'1 | 108.8° | 109.4° |
| H3'2 | C3' | H3'1 | 109.5° | 109.4° |
| H2'2 | C2' | H2'1 | 109.5° | 109.5° |
| H6'2 | C6' | H6'1 | 109.5° | 109.5° |
| HN | N | H9 | 109.5° | 109.5° |
| HC11 | C1 | HC12 | 109.5° | 109.5° |
| HC21 | C2 | HC22 | 109.5° | 109.5° |
| H5'2 | C5' | H5'1 | 109.5° | 109.5° |
| H4'2 | C4' | H4'1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O2 | O3 | 128.7° | 121.6° |
| O1 | S | O2 | C2 | 116.1° | 119.2° |
| O1 | S | O3 | C2 | 115.6° | 119.2° |
| O1 | S | C2 | C1 | 68.3° | 180.0° |
| O1 | S | C2 | HC21 | 171.2° | 60.0° |
| O1 | S | C2 | HC22 | 52.2° | 60.1° |
| C6' | C5' | C4' | H5'2 | 120.2° | 120.1° |
| C6' | C5' | C4' | H5'1 | 120.2° | 119.9° |
| C5' | C6' | C1' | H6'2 | 120.4° | 120.0° |
| C5' | C6' | C1' | H6'1 | 120.4° | 120.0° |
| C6' | C5' | C4' | C3' | 58.6° | 59.9° |
| C5' | C6' | C1' | N | 171.7° | 180.0° |
| C5' | C6' | C1' | C2' | 50.8° | 60.0° |
| C5' | C6' | C1' | HC'1 | 69.1° | 60.0° |
| C5' | C6' | H6'2 | H6'1 | 118.7° | 119.9° |
| C6' | C5' | H5'2 | H5'1 | 119.4° | 120.0° |
| C6' | C5' | C4' | H4'2 | 61.5° | 180.0° |
| C6' | C5' | C4' | H4'1 | 178.8° | 60.0° |
| C4' | C5' | C6' | C1' | 54.7° | 60.0° |
| C5' | C4' | C3' | H4'2 | 120.1° | 120.0° |
| C5' | C4' | C3' | H4'1 | 120.2° | 119.9° |
| C5' | C4' | C3' | C2' | 59.0° | 60.0° |
| C5' | C4' | C3' | H3'2 | 179.2° | 60.1° |
| C5' | C4' | C3' | H3'1 | 61.2° | 180.0° |
| C4' | C5' | C6' | H6'2 | 175.1° | 60.0° |
| C4' | C5' | C6' | H6'1 | 65.7° | 180.0° |
| C4' | C5' | H5'2 | H5'1 | 119.4° | 120.0° |
| C5' | C4' | H4'2 | H4'1 | 119.6° | 119.9° |
| C6' | C1' | N | C1 | 69.9° | 65.0° |
| C6' | C1' | N | C2' | 122.7° | 120.0° |
| C6' | C1' | N | HC'1 | 119.0° | 120.0° |
| C6' | C1' | C2' | HC'1 | 119.8° | 120.1° |
| C6' | C1' | C2' | C3' | 51.1° | 60.0° |
| C6' | C1' | C2' | H2'2 | 171.4° | 59.9° |
| C6' | C1' | C2' | H2'1 | 69.3° | 180.0° |
| C1' | C6' | H6'2 | H6'1 | 118.8° | 120.1° |
| C6' | C1' | N | HN | 169.2° | 55.0° |
| C6' | C1' | N | H9 | 51.1° | 175.0° |
| C1' | C6' | C5' | H5'2 | 174.9° | 180.0° |
| C1' | C6' | C5' | H5'1 | 65.5° | 60.0° |
| C4' | C3' | C2' | C1' | 55.3° | 60.0° |
| C4' | C3' | C2' | H3'2 | 120.2° | 120.0° |
| C4' | C3' | C2' | H3'1 | 120.2° | 120.1° |
| C4' | C3' | H3'2 | H3'1 | 119.4° | 120.0° |
| C4' | C3' | C2' | H2'2 | 175.7° | 60.0° |
| C4' | C3' | C2' | H2'1 | 65.0° | 180.0° |
| C3' | C4' | C5' | H5'2 | 178.8° | 180.0° |
| C3' | C4' | C5' | H5'1 | 61.6° | 60.0° |
| C3' | C4' | H4'2 | H4'1 | 119.5° | 120.0° |
| O2 | S | O3 | C2 | 115.6° | 119.2° |
| O2 | S | C2 | C1 | 52.0° | 59.9° |
| O2 | S | C2 | HC21 | 68.5° | 180.0° |
| O2 | S | C2 | HC22 | 172.5° | 60.0° |
| O3 | S | C2 | C1 | 171.9° | 60.1° |
| O3 | S | C2 | HC21 | 51.4° | 60.0° |
| O3 | S | C2 | HC22 | 67.6° | 179.9° |
| S | C2 | C1 | HC21 | 120.5° | 120.0° |
| S | C2 | C1 | HC22 | 120.5° | 119.9° |
| S | C2 | C1 | N | 166.3° | 180.0° |
| S | C2 | C1 | HC11 | 46.2° | 60.0° |
| S | C2 | C1 | HC12 | 73.6° | 60.1° |
| S | C2 | HC21 | HC22 | 118.4° | 120.0° |
| C2 | C1 | N | HC11 | 120.1° | 120.1° |
| C2 | C1 | N | HC12 | 120.1° | 119.9° |
| C2 | C1 | N | C1' | 176.1° | 180.0° |
| C2 | C1 | N | HN | 55.1° | 60.0° |
| C2 | C1 | N | H9 | 62.9° | 60.1° |
| C2 | C1 | HC11 | HC12 | 119.7° | 120.0° |
| C1 | C2 | HC21 | HC22 | 118.4° | 120.0° |
| C1 | N | C1' | HN | 121.0° | 120.0° |
| C1 | N | C1' | H9 | 121.0° | 119.9° |
| C1 | N | C1' | C2' | 167.4° | 175.0° |
| C1 | N | C1' | HC'1 | 49.2° | 55.0° |
| C1 | N | HN | H9 | 116.9° | 120.0° |
| N | C1 | HC11 | HC12 | 119.7° | 120.0° |
| N | C1 | C2 | HC21 | 73.1° | 60.0° |
| N | C1 | C2 | HC22 | 45.8° | 60.1° |
| N | C1' | C2' | HC'1 | 118.5° | 120.0° |
| N | C1' | C2' | C3' | 172.7° | 180.0° |
| N | C1' | C2' | H2'2 | 66.9° | 60.0° |
| N | C1' | C2' | H2'1 | 52.4° | 60.1° |
| N | C1' | C6' | H6'2 | 67.9° | 60.1° |
| N | C1' | C6' | H6'1 | 51.2° | 60.0° |
| C1' | N | HN | H9 | 116.9° | 120.0° |
| C1' | N | C1 | HC11 | 63.8° | 60.0° |
| C1' | N | C1 | HC12 | 56.0° | 60.1° |
| C1' | C2' | C3' | H2'2 | 120.4° | 120.0° |
| C1' | C2' | C3' | H2'1 | 120.4° | 120.0° |
| C1' | C2' | C3' | H3'2 | 175.5° | 60.0° |
| C1' | C2' | C3' | H3'1 | 64.8° | 180.0° |
| C1' | C2' | H2'2 | H2'1 | 118.8° | 120.1° |
| C2' | C1' | C6' | H6'2 | 171.2° | 59.9° |
| C2' | C1' | C6' | H6'1 | 69.6° | 180.0° |
| C2' | C1' | N | HN | 46.4° | 65.0° |
| C2' | C1' | N | H9 | 71.6° | 55.0° |
| C2' | C3' | H3'2 | H3'1 | 119.4° | 119.9° |
| C3' | C2' | H2'2 | H2'1 | 118.8° | 120.0° |
| C3' | C2' | C1' | HC'1 | 68.7° | 60.1° |
| C2' | C3' | C4' | H4'2 | 61.1° | 180.0° |
| C2' | C3' | C4' | H4'1 | 179.2° | 60.0° |
| H3'2 | C3' | C2' | H2'2 | 64.1° | 180.0° |
| H3'2 | C3' | C2' | H2'1 | 55.2° | 60.0° |
| H3'2 | C3' | C4' | H4'2 | 59.1° | 60.0° |
| H3'2 | C3' | C4' | H4'1 | 60.6° | NaN° |
| H3'1 | C3' | C2' | H2'2 | 55.6° | 60.0° |
| H3'1 | C3' | C2' | H2'1 | 174.8° | 60.0° |
| H3'1 | C3' | C4' | H4'2 | 178.7° | 60.0° |
| H3'1 | C3' | C4' | H4'1 | 59.0° | 60.0° |
| H2'2 | C2' | C1' | HC'1 | 51.6° | 180.0° |
| H2'1 | C2' | C1' | HC'1 | 170.9° | 59.9° |
| HC'1 | C1' | C6' | H6'2 | 51.3° | 180.0° |
| HC'1 | C1' | C6' | H6'1 | 170.5° | 60.0° |
| HC'1 | C1' | N | HN | 71.8° | 175.0° |
| HC'1 | C1' | N | H9 | 170.1° | 65.0° |
| H6'2 | C6' | C5' | H5'2 | 64.7° | 60.0° |
| H6'2 | C6' | C5' | H5'1 | 54.9° | 180.0° |
| H6'1 | C6' | C5' | H5'2 | 54.5° | 60.0° |
| H6'1 | C6' | C5' | H5'1 | 174.1° | 60.0° |
| HN | N | C1 | HC11 | 175.2° | 180.0° |
| HN | N | C1 | HC12 | 65.0° | 59.9° |
| H9 | N | C1 | HC11 | 57.2° | 60.0° |
| H9 | N | C1 | HC12 | 177.0° | 180.0° |
| HC11 | C1 | C2 | HC21 | 166.7° | 180.0° |
| HC11 | C1 | C2 | HC22 | 74.3° | 60.0° |
| HC12 | C1 | C2 | HC21 | 46.9° | 59.9° |
| HC12 | C1 | C2 | HC22 | 165.9° | 180.0° |
| H5'2 | C5' | C4' | H4'2 | 58.7° | 59.9° |
| H5'2 | C5' | C4' | H4'1 | 61.0° | 60.0° |
| H5'1 | C5' | C4' | H4'2 | 178.3° | 60.0° |
| H5'1 | C5' | C4' | H4'1 | 58.6° | 180.0° |
