ZXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.34Å | 1.39Å | |
| N1 | C10 | sing | 1.36Å | 1.36Å | |
| C2 | N2 | sing | 1.33Å | 1.35Å | |
| C2 | N3 | sing | 1.37Å | 1.35Å | |
| N3 | C4 | sing | 1.39Å | 1.39Å | |
| C4 | C9 | sing | 1.44Å | 1.47Å | |
| C4 | O4 | doub | 1.23Å | 1.31Å | |
| N5 | C9 | sing | 1.39Å | 1.55Å | |
| N5 | C6 | sing | 1.46Å | 1.44Å | |
| C6 | C7 | sing | 1.56Å | 1.68Å | |
| C6 | C1' | sing | 1.53Å | 1.42Å | |
| C7 | N8 | sing | 1.46Å | 1.44Å | |
| C7 | O3' | sing | 1.44Å | 1.45Å | |
| N8 | C10 | sing | 1.36Å | 1.38Å | |
| C9 | C10 | doub | 1.41Å | 1.61Å | |
| C1' | S1' | sing | 1.67Å | 1.65Å | |
| C1' | C2' | doub | 1.35Å | 1.47Å | |
| S1' | MO | sing | 2.27Å | 2.43Å | |
| C2' | C3' | sing | 1.52Å | 1.58Å | |
| C2' | S2' | sing | 1.68Å | 1.72Å | |
| S2' | MO | sing | 2.27Å | 2.39Å | |
| C3' | O3' | sing | 1.44Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.36Å | |
| O4' | P | sing | 1.57Å | 1.39Å | |
| P | O3P | doub | 1.49Å | 1.36Å | |
| P | O2P | sing | 1.54Å | 1.46Å | |
| P | O1P | sing | 1.54Å | 1.54Å | |
| MO | O2 | doub | 1.66Å | 1.70Å | |
| MO | O1 | sing | 1.66Å | 2.07Å | |
| MO | S | sing | 2.37Å | 2.41Å | |
| N2 | H1 | sing | 0.88Å | 1.00Å | |
| N2 | H2 | sing | 0.88Å | 1.00Å | |
| C6 | H3 | sing | 0.99Å | 1.10Å | |
| C7 | H4 | sing | 0.99Å | 1.10Å | |
| N8 | H5 | sing | 0.88Å | 1.00Å | |
| C3' | H6 | sing | 0.99Å | 1.10Å | |
| C4' | H7 | sing | 0.98Å | 1.10Å | |
| C4' | H8 | sing | 0.98Å | 1.10Å | |
| O1P | H9 | sing | 0.89Å | 0.95Å | |
| O2P | H10 | sing | 0.89Å | 0.95Å | |
| S | H11 | sing | 1.22Å | 1.30Å | |
| O1 | H12 | sing | 0.87Å | 0.95Å | |
| N3 | H14 | sing | 0.88Å | 1.00Å | |
| N5 | H15 | sing | 0.87Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 127.2° | 118.0° |
| N1 | C2 | N2 | 116.4° | 119.2° |
| N1 | C2 | N3 | 119.4° | 122.9° |
| N1 | C10 | N8 | 126.4° | 116.6° |
| N1 | C10 | C9 | 114.1° | 122.4° |
| N2 | C2 | N3 | 124.2° | 117.9° |
| C2 | N2 | H1 | 120.0° | 120.1° |
| C2 | N2 | H2 | 120.0° | 120.5° |
| C2 | N3 | C4 | 123.2° | 122.5° |
| C2 | N3 | H14 | 118.4° | 119.0° |
| N3 | C4 | C9 | 120.8° | 115.0° |
| N3 | C4 | O4 | 124.7° | 119.7° |
| C4 | N3 | H14 | 118.4° | 118.5° |
| C9 | C4 | O4 | 114.5° | 125.3° |
| C4 | C9 | N5 | 127.0° | 121.5° |
| C4 | C9 | C10 | 115.2° | 119.1° |
| C9 | N5 | C6 | 119.5° | 122.3° |
| N5 | C9 | C10 | 117.5° | 119.3° |
| C9 | N5 | H15 | 106.9° | 118.1° |
| N5 | C6 | C7 | 110.9° | 112.0° |
| N5 | C6 | C1' | 118.0° | 111.4° |
| N5 | C6 | H3 | 105.6° | 107.7° |
| C6 | N5 | H15 | 106.9° | 119.6° |
| C7 | C6 | C1' | 111.8° | 111.8° |
| C6 | C7 | N8 | 117.5° | 112.3° |
| C6 | C7 | O3' | 106.6° | 111.1° |
| C7 | C6 | H3 | 103.3° | 106.3° |
| C6 | C7 | H4 | 107.4° | 108.9° |
| C6 | C1' | S1' | 115.8° | 116.7° |
| C6 | C1' | C2' | 116.6° | 122.6° |
| C1' | C6 | H3 | 105.9° | 107.3° |
| N8 | C7 | O3' | 104.5° | 107.8° |
| C7 | N8 | C10 | 122.0° | 122.5° |
| N8 | C7 | H4 | 110.4° | 107.8° |
| C7 | N8 | H5 | 106.3° | 119.1° |
| C7 | O3' | C3' | 120.2° | 121.4° |
| O3' | C7 | H4 | 110.3° | 108.8° |
| N8 | C10 | C9 | 119.5° | 120.9° |
| C10 | N8 | H5 | 106.3° | 118.3° |
| S1' | C1' | C2' | 127.6° | 120.7° |
| C1' | S1' | MO | 101.5° | 106.7° |
| C1' | C2' | C3' | 123.4° | 121.7° |
| C1' | C2' | S2' | 115.3° | 118.6° |
| S1' | MO | S2' | 83.8° | 83.2° |
| S1' | MO | O2 | 113.7° | 90.0° |
| S1' | MO | O1 | 155.6° | 176.6° |
| S1' | MO | S | 88.0° | 93.4° |
| C3' | C2' | S2' | 121.3° | 119.7° |
| C2' | C3' | O3' | 112.4° | 113.8° |
| C2' | C3' | C4' | 107.9° | 113.9° |
| C2' | C3' | H6 | 105.0° | 107.4° |
| C2' | S2' | MO | 105.2° | 107.8° |
| S2' | MO | O2 | 112.6° | 90.0° |
| S2' | MO | O1 | 88.1° | 93.4° |
| S2' | MO | S | 141.2° | 176.6° |
| O3' | C3' | C4' | 118.1° | 104.3° |
| O3' | C3' | H6 | 106.5° | 109.0° |
| C3' | C4' | O4' | 109.0° | 109.7° |
| C4' | C3' | H6 | 106.0° | 108.2° |
| C3' | C4' | H7 | 109.6° | 109.2° |
| C3' | C4' | H8 | 109.6° | 109.6° |
| C4' | O4' | P | 130.3° | 122.3° |
| O4' | C4' | H7 | 109.6° | 110.1° |
| O4' | C4' | H8 | 109.6° | 110.0° |
| O4' | P | O3P | 109.9° | 112.4° |
| O4' | P | O2P | 111.2° | 105.9° |
| O4' | P | O1P | 108.9° | 106.8° |
| O3P | P | O2P | 106.9° | 112.3° |
| O3P | P | O1P | 108.1° | 112.5° |
| O2P | P | O1P | 111.8° | 106.4° |
| P | O2P | H10 | 109.5° | 109.4° |
| P | O1P | H9 | 109.5° | 109.5° |
| O2 | MO | O1 | 90.6° | 90.0° |
| O2 | MO | S | 105.5° | 90.0° |
| O1 | MO | S | 84.1° | 90.0° |
| MO | O1 | H12 | 109.5° | 109.6° |
| MO | S | H11 | 102.0° | 109.4° |
| H1 | N2 | H2 | 120.0° | 119.3° |
| H7 | C4' | H8 | 109.5° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 179.7° | 179.6° |
| N1 | C2 | N3 | C4 | 0.0° | 0.7° |
| C2 | N1 | C10 | N8 | 179.1° | 180.0° |
| C2 | N1 | C10 | C9 | 0.4° | 2.2° |
| N1 | C2 | N2 | H1 | 0.0° | 0.0° |
| N1 | C2 | N2 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | H14 | 179.9° | 179.6° |
| C10 | N1 | C2 | N2 | 179.4° | 179.2° |
| C10 | N1 | C2 | N3 | 0.4° | 1.2° |
| N1 | C10 | C9 | C4 | 0.0° | 2.7° |
| N1 | C10 | C9 | N5 | 174.5° | 179.5° |
| N1 | C10 | N8 | C7 | 177.2° | 170.1° |
| N1 | C10 | N8 | C9 | 179.5° | 177.8° |
| N1 | C10 | N8 | H5 | 61.0° | 10.1° |
| N2 | C2 | N3 | C4 | 179.7° | 179.7° |
| C2 | N2 | H1 | H2 | 180.0° | 179.9° |
| N2 | C2 | N3 | H14 | 0.2° | 0.1° |
| C2 | N3 | C4 | H14 | 180.0° | 179.7° |
| C2 | N3 | C4 | C9 | 0.4° | 1.1° |
| C2 | N3 | C4 | O4 | 179.7° | 179.6° |
| N3 | C2 | N2 | H1 | 179.7° | 179.7° |
| N3 | C2 | N2 | H2 | 0.3° | 0.5° |
| N3 | C4 | C9 | O4 | 179.9° | 178.4° |
| N3 | C4 | C9 | N5 | 174.2° | 179.8° |
| N3 | C4 | C9 | C10 | 0.3° | 2.0° |
| C4 | C9 | N5 | C10 | 173.8° | 177.8° |
| C4 | C9 | N5 | C6 | 160.2° | 169.7° |
| C4 | C9 | C10 | N8 | 179.5° | 179.6° |
| C9 | C4 | N3 | H14 | 179.6° | 179.2° |
| C4 | C9 | N5 | H15 | 38.8° | 10.1° |
| O4 | C4 | C9 | N5 | 5.8° | 1.8° |
| O4 | C4 | C9 | C10 | 179.7° | 179.6° |
| O4 | C4 | N3 | H14 | 0.3° | 0.7° |
| C9 | N5 | C6 | H15 | 121.4° | 179.7° |
| C9 | N5 | C6 | C7 | 34.8° | 29.8° |
| C9 | N5 | C6 | C1' | 165.5° | 155.9° |
| N5 | C9 | C10 | N8 | 6.0° | 1.8° |
| C9 | N5 | C6 | H3 | 76.5° | 86.7° |
| N5 | C6 | C7 | C1' | 133.9° | 125.8° |
| N5 | C6 | C7 | H3 | 112.7° | 117.4° |
| N5 | C6 | C1' | H3 | 117.9° | 117.7° |
| N5 | C6 | C7 | N8 | 42.7° | 36.1° |
| N5 | C6 | C7 | O3' | 74.0° | 84.7° |
| C6 | N5 | C9 | C10 | 13.6° | 12.5° |
| N5 | C6 | C1' | S1' | 82.3° | 71.8° |
| N5 | C6 | C1' | C2' | 97.0° | 110.5° |
| N5 | C6 | C7 | H4 | 167.8° | 155.4° |
| C7 | C6 | C1' | H3 | 111.8° | 116.2° |
| C6 | C7 | N8 | O3' | 117.9° | 122.7° |
| C6 | C7 | N8 | H4 | 123.5° | 120.0° |
| C6 | C7 | O3' | H4 | 116.3° | 119.9° |
| C6 | C7 | N8 | C10 | 26.4° | 29.5° |
| C7 | C6 | C1' | S1' | 147.4° | 162.1° |
| C7 | C6 | C1' | C2' | 33.3° | 15.6° |
| C6 | C7 | O3' | C3' | 54.4° | 49.6° |
| C6 | C7 | N8 | H5 | 95.4° | 150.3° |
| C7 | C6 | N5 | H15 | 156.2° | 150.4° |
| C1' | C6 | C7 | N8 | 176.6° | 161.9° |
| C1' | C6 | C7 | O3' | 59.9° | 41.1° |
| C6 | C1' | S1' | C2' | 179.2° | 177.7° |
| C6 | C1' | S1' | MO | 161.8° | 161.4° |
| C6 | C1' | C2' | C3' | 0.0° | 7.0° |
| C6 | C1' | C2' | S2' | 179.8° | 171.8° |
| C1' | C6 | C7 | H4 | 58.3° | 78.7° |
| C1' | C6 | N5 | H15 | 73.1° | 24.4° |
| N8 | C7 | O3' | H4 | 118.6° | 116.6° |
| C7 | N8 | C10 | H5 | 121.7° | 179.8° |
| C7 | N8 | C10 | C9 | 2.3° | 12.1° |
| N8 | C7 | O3' | C3' | 179.4° | 173.1° |
| N8 | C7 | C6 | H3 | 70.0° | 81.3° |
| O3' | C7 | N8 | C10 | 91.5° | 93.2° |
| C7 | O3' | C3' | C2' | 22.8° | 27.2° |
| C7 | O3' | C3' | C4' | 149.3° | 151.9° |
| O3' | C7 | C6 | H3 | 173.3° | 157.9° |
| O3' | C7 | N8 | H5 | 146.7° | 86.9° |
| C7 | O3' | C3' | H6 | 91.7° | 92.6° |
| C10 | N8 | C7 | H4 | 149.9° | 149.5° |
| C9 | C10 | N8 | H5 | 119.5° | 167.8° |
| C10 | C9 | N5 | H15 | 135.0° | 167.7° |
| S1' | C1' | C2' | C3' | 179.2° | 175.4° |
| S1' | C1' | C2' | S2' | 0.9° | 5.8° |
| C1' | S1' | MO | S2' | 20.5° | 15.2° |
| C1' | S1' | MO | O2 | 91.5° | 105.2° |
| C1' | S1' | MO | O1 | 91.7° | 14.0° |
| C1' | S1' | MO | S | 162.5° | 164.8° |
| S1' | C1' | C6 | H3 | 35.6° | 45.9° |
| C2' | C1' | S1' | MO | 17.4° | 16.3° |
| C1' | C2' | C3' | S2' | 179.8° | 178.8° |
| C1' | C2' | S2' | MO | 19.3° | 8.0° |
| C1' | C2' | C3' | O3' | 8.9° | 3.1° |
| C1' | C2' | C3' | C4' | 123.0° | 116.3° |
| C2' | C1' | C6 | H3 | 145.1° | 131.8° |
| C1' | C2' | C3' | H6 | 124.3° | 123.9° |
| S1' | MO | S2' | C2' | 21.9° | 13.0° |
| S1' | MO | S2' | O2 | 113.1° | 90.0° |
| S1' | MO | S2' | O1 | 157.0° | 179.9° |
| S1' | MO | S2' | S | 78.9° | 0.4° |
| S1' | MO | O2 | O1 | 178.7° | 176.6° |
| S1' | MO | O2 | S | 94.7° | 93.4° |
| S1' | MO | O1 | S | 71.6° | 178.8° |
| S1' | MO | S | H11 | 180.0° | 8.3° |
| S1' | MO | O1 | H12 | 177.1° | 47.5° |
| C3' | C2' | S2' | MO | 160.9° | 170.9° |
| C2' | C3' | O3' | C4' | 126.6° | 124.7° |
| C2' | C3' | O3' | H6 | 114.5° | 119.8° |
| C2' | C3' | C4' | H6 | 112.1° | 119.4° |
| C2' | C3' | C4' | O4' | 174.7° | 169.3° |
| C2' | C3' | C4' | H7 | 54.8° | 69.9° |
| C2' | C3' | C4' | H8 | 65.4° | 48.4° |
| S2' | C2' | C3' | O3' | 170.9° | 175.7° |
| S2' | C2' | C3' | C4' | 57.2° | 64.9° |
| C2' | S2' | MO | O2 | 91.2° | 103.0° |
| C2' | S2' | MO | O1 | 178.9° | 166.9° |
| C2' | S2' | MO | S | 100.8° | 12.6° |
| S2' | C2' | C3' | H6 | 55.5° | 54.9° |
| S2' | MO | O2 | O1 | 88.2° | 93.4° |
| S2' | MO | O2 | S | 172.2° | 176.6° |
| S2' | MO | O1 | S | 141.9° | 180.0° |
| S2' | MO | S | H11 | 102.6° | 7.9° |
| S2' | MO | O1 | H12 | 112.6° | 48.7° |
| O3' | C3' | C4' | H6 | 119.2° | 116.0° |
| O3' | C3' | C4' | O4' | 56.6° | 66.1° |
| C3' | O3' | C7 | H4 | 61.9° | 70.2° |
| O3' | C3' | C4' | H7 | 176.5° | 54.7° |
| O3' | C3' | C4' | H8 | 63.4° | 173.1° |
| C3' | C4' | O4' | H7 | 119.9° | 120.2° |
| C3' | C4' | O4' | H8 | 119.9° | 120.6° |
| C3' | C4' | O4' | P | 86.1° | 164.1° |
| C3' | C4' | H7 | H8 | 120.2° | 119.2° |
| C4' | O4' | P | O3P | 153.6° | 57.7° |
| C4' | O4' | P | O2P | 88.3° | 179.3° |
| C4' | O4' | P | O1P | 35.3° | 66.1° |
| O4' | C4' | C3' | H6 | 62.7° | 49.9° |
| O4' | C4' | H7 | H8 | 120.3° | 120.3° |
| O4' | P | O3P | O2P | 120.7° | 119.4° |
| O4' | P | O3P | O1P | 118.7° | 120.6° |
| O4' | P | O2P | O1P | 121.9° | 113.4° |
| P | O4' | C4' | H7 | 33.8° | 75.6° |
| P | O4' | C4' | H8 | 154.0° | 43.5° |
| O4' | P | O1P | H9 | 119.4° | 59.9° |
| O4' | P | O2P | H10 | 119.9° | 179.9° |
| O3P | P | O2P | O1P | 118.2° | 123.5° |
| O3P | P | O1P | H9 | 0.0° | 176.3° |
| O3P | P | O2P | H10 | 0.0° | 57.0° |
| O2P | P | O1P | H9 | 117.4° | 52.9° |
| O1P | P | O2P | H10 | 118.2° | 66.5° |
| O2 | MO | O1 | S | 105.5° | 90.0° |
| O2 | MO | S | H11 | 65.9° | 98.3° |
| O2 | MO | O1 | H12 | 0.0° | 138.7° |
| O1 | MO | S | H11 | 23.1° | 171.7° |
| S | MO | O1 | H12 | 105.5° | 131.3° |
| H3 | C6 | C7 | H4 | 55.1° | 38.0° |
| H3 | C6 | N5 | H15 | 45.0° | 93.0° |
| H4 | C7 | N8 | H5 | 28.2° | 30.4° |
| H6 | C3' | C4' | H7 | 57.3° | 170.7° |
| H6 | C3' | C4' | H8 | 177.4° | 70.9° |
