EAK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | sing | 1.36Å | 1.37Å | |
| N1 | C2 | doub | 1.34Å | 1.40Å | |
| C2 | N2 | sing | 1.33Å | 1.33Å | |
| C2 | N3 | sing | 1.37Å | 1.35Å | |
| N3 | C4 | sing | 1.39Å | 1.39Å | |
| C4 | C9 | sing | 1.44Å | 1.40Å | |
| C4 | O4 | doub | 1.23Å | 1.35Å | |
| N5 | C9 | sing | 1.39Å | 1.49Å | |
| N5 | C6 | sing | 1.46Å | 1.48Å | |
| C6 | C1' | sing | 1.53Å | 1.50Å | |
| C6 | C7 | sing | 1.56Å | 1.55Å | |
| C7 | O3' | sing | 1.44Å | 1.49Å | |
| C7 | N8 | sing | 1.46Å | 1.47Å | |
| N8 | C10 | sing | 1.36Å | 1.46Å | |
| C9 | C10 | doub | 1.41Å | 1.48Å | |
| C1' | C2' | doub | 1.35Å | 1.36Å | |
| C1' | S1' | sing | 1.68Å | 1.82Å | |
| S1' | MO1 | sing | 2.28Å | 2.40Å | |
| C2' | S2' | sing | 1.68Å | 1.85Å | |
| C2' | C3' | sing | 1.52Å | 1.48Å | |
| S2' | MO1 | sing | 2.28Å | 2.38Å | |
| C3' | C4' | sing | 1.53Å | 1.51Å | |
| C3' | O3' | sing | 1.44Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| O4' | P | sing | 1.57Å | 1.61Å | |
| P | O1P | doub | 1.49Å | 1.51Å | |
| P | O3P | sing | 1.54Å | 1.51Å | |
| P | O2P | sing | 1.54Å | 1.50Å | |
| MO1 | O1 | doub | 1.66Å | 1.68Å | |
| MO1 | S1 | sing | 2.37Å | 2.39Å | |
| N2 | H1 | sing | 0.88Å | 1.00Å | |
| N2 | H2 | sing | 0.88Å | 1.00Å | |
| N5 | H3 | sing | 0.87Å | 1.00Å | |
| C6 | H5 | sing | 0.99Å | 1.10Å | |
| C7 | H6 | sing | 0.99Å | 1.10Å | |
| N8 | H7 | sing | 0.88Å | 1.00Å | |
| C3' | H9 | sing | 0.99Å | 1.10Å | |
| C4' | H10 | sing | 0.98Å | 1.10Å | |
| C4' | H11 | sing | 0.98Å | 1.10Å | |
| O2P | H12 | sing | 0.89Å | 0.95Å | |
| O3P | H13 | sing | 0.89Å | 0.95Å | |
| S1 | H14 | sing | 1.22Å | 1.30Å | |
| H4 | N3 | sing | 0.88Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C2 | 125.3° | 118.1° |
| N1 | C10 | N8 | 123.8° | 116.7° |
| N1 | C10 | C9 | 117.1° | 122.3° |
| N1 | C2 | N2 | 118.4° | 119.2° |
| N1 | C2 | N3 | 116.7° | 122.9° |
| N2 | C2 | N3 | 125.0° | 117.9° |
| C2 | N2 | H1 | 120.0° | 120.1° |
| C2 | N2 | H2 | 120.0° | 120.6° |
| C2 | N3 | C4 | 122.8° | 122.5° |
| C2 | N3 | H4 | 118.6° | 119.1° |
| N3 | C4 | C9 | 121.5° | 115.0° |
| N3 | C4 | O4 | 123.5° | 119.7° |
| C4 | N3 | H4 | 118.6° | 118.5° |
| C9 | C4 | O4 | 115.0° | 125.3° |
| C4 | C9 | N5 | 127.0° | 121.3° |
| C4 | C9 | C10 | 116.6° | 119.2° |
| C9 | N5 | C6 | 118.2° | 123.0° |
| N5 | C9 | C10 | 116.4° | 119.5° |
| C9 | N5 | H3 | 107.2° | 117.5° |
| N5 | C6 | C1' | 112.6° | 110.3° |
| N5 | C6 | C7 | 112.0° | 112.6° |
| C6 | N5 | H3 | 107.3° | 119.5° |
| N5 | C6 | H5 | 108.6° | 107.7° |
| C1' | C6 | C7 | 107.6° | 112.6° |
| C6 | C1' | C2' | 121.9° | 122.9° |
| C6 | C1' | S1' | 118.9° | 117.0° |
| C1' | C6 | H5 | 108.2° | 107.1° |
| C6 | C7 | O3' | 105.6° | 110.8° |
| C6 | C7 | N8 | 110.1° | 113.4° |
| C7 | C6 | H5 | 107.6° | 106.2° |
| C6 | C7 | H6 | 110.4° | 108.7° |
| O3' | C7 | N8 | 107.3° | 107.4° |
| C7 | O3' | C3' | 115.9° | 120.4° |
| O3' | C7 | H6 | 111.4° | 108.8° |
| C7 | N8 | C10 | 123.4° | 122.9° |
| N8 | C7 | H6 | 111.7° | 107.6° |
| C7 | N8 | H7 | 105.9° | 119.0° |
| N8 | C10 | C9 | 119.1° | 121.0° |
| C10 | N8 | H7 | 105.9° | 118.1° |
| C2' | C1' | S1' | 119.1° | 120.0° |
| C1' | C2' | S2' | 121.2° | 117.4° |
| C1' | C2' | C3' | 124.3° | 121.7° |
| C1' | S1' | MO1 | 106.4° | 106.8° |
| S1' | MO1 | S2' | 84.3° | 81.3° |
| S1' | MO1 | O1 | 110.6° | 90.1° |
| S1' | MO1 | S1 | 88.5° | 94.4° |
| S2' | C2' | C3' | 114.5° | 120.9° |
| C2' | S2' | MO1 | 105.1° | 107.0° |
| C2' | C3' | C4' | 107.4° | 114.7° |
| C2' | C3' | O3' | 110.3° | 112.4° |
| C2' | C3' | H9 | 110.3° | 107.3° |
| S2' | MO1 | O1 | 106.0° | 90.0° |
| S2' | MO1 | S1 | 144.0° | 175.7° |
| C4' | C3' | O3' | 108.9° | 105.0° |
| C3' | C4' | O4' | 115.9° | 110.6° |
| C4' | C3' | H9 | 109.9° | 108.3° |
| C3' | C4' | H10 | 107.9° | 109.1° |
| C3' | C4' | H11 | 107.8° | 109.4° |
| O3' | C3' | H9 | 110.0° | 109.1° |
| C4' | O4' | P | 124.7° | 121.9° |
| O4' | C4' | H10 | 107.8° | 110.1° |
| O4' | C4' | H11 | 107.8° | 109.7° |
| O4' | P | O1P | 108.3° | 112.5° |
| O4' | P | O3P | 110.2° | 106.0° |
| O4' | P | O2P | 109.2° | 106.8° |
| O1P | P | O3P | 110.1° | 112.2° |
| O1P | P | O2P | 112.3° | 112.4° |
| O3P | P | O2P | 106.7° | 106.4° |
| P | O3P | H13 | 109.5° | 109.5° |
| P | O2P | H12 | 109.5° | 109.4° |
| O1 | MO1 | S1 | 109.6° | 90.0° |
| MO1 | S1 | H14 | 102.0° | 109.4° |
| H1 | N2 | H2 | 120.0° | 119.3° |
| H10 | C4' | H11 | 109.5° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N1 | C2 | N2 | 179.9° | 179.3° |
| C10 | N1 | C2 | N3 | 0.0° | 1.1° |
| N1 | C10 | C9 | C4 | 0.4° | 2.3° |
| N1 | C10 | C9 | N5 | 178.4° | 179.5° |
| N1 | C10 | N8 | C7 | 173.9° | 171.3° |
| N1 | C10 | N8 | C9 | 179.8° | 178.1° |
| N1 | C10 | N8 | H7 | 64.1° | 8.9° |
| N1 | C2 | N2 | N3 | 179.8° | 179.6° |
| N1 | C2 | N3 | C4 | 0.3° | 0.7° |
| C2 | N1 | C10 | N8 | 179.5° | 180.0° |
| C2 | N1 | C10 | C9 | 0.3° | 1.9° |
| N1 | C2 | N2 | H1 | 0.0° | 0.0° |
| N1 | C2 | N2 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | H4 | 179.7° | 179.7° |
| N2 | C2 | N3 | C4 | 179.9° | 179.7° |
| C2 | N2 | H1 | H2 | 180.0° | 179.9° |
| N2 | C2 | N3 | H4 | 0.1° | 0.1° |
| C2 | N3 | C4 | H4 | 180.0° | 179.7° |
| C2 | N3 | C4 | C9 | 0.2° | 0.9° |
| C2 | N3 | C4 | O4 | 179.5° | 179.7° |
| N3 | C2 | N2 | H1 | 179.8° | 179.6° |
| N3 | C2 | N2 | H2 | 0.2° | 0.4° |
| N3 | C4 | C9 | O4 | 179.7° | 178.7° |
| N3 | C4 | C9 | N5 | 178.5° | 179.9° |
| N3 | C4 | C9 | C10 | 0.2° | 1.7° |
| C4 | C9 | N5 | C10 | 178.6° | 178.2° |
| C4 | C9 | N5 | C6 | 156.8° | 171.4° |
| C4 | C9 | C10 | N8 | 179.5° | 179.7° |
| C4 | C9 | N5 | H3 | 35.6° | 8.3° |
| C9 | C4 | N3 | H4 | 179.8° | 179.4° |
| O4 | C4 | C9 | N5 | 1.2° | 1.4° |
| O4 | C4 | C9 | C10 | 179.8° | 179.6° |
| O4 | C4 | N3 | H4 | 0.5° | 0.6° |
| C9 | N5 | C6 | H3 | 121.2° | 179.7° |
| C9 | N5 | C6 | C1' | 170.7° | 151.9° |
| C9 | N5 | C6 | C7 | 49.2° | 25.1° |
| N5 | C9 | C10 | N8 | 1.8° | 1.5° |
| C9 | N5 | C6 | H5 | 69.5° | 91.6° |
| N5 | C6 | C1' | C7 | 124.0° | 126.7° |
| N5 | C6 | C1' | H5 | 120.0° | 116.9° |
| N5 | C6 | C7 | H5 | 119.3° | 117.6° |
| N5 | C6 | C7 | O3' | 66.0° | 90.1° |
| N5 | C6 | C7 | N8 | 49.5° | 30.8° |
| C6 | N5 | C9 | C10 | 24.5° | 10.4° |
| N5 | C6 | C1' | C2' | 95.4° | 118.0° |
| N5 | C6 | C1' | S1' | 84.7° | 63.7° |
| N5 | C6 | C7 | H6 | 173.4° | 150.4° |
| C1' | C6 | C7 | H5 | 116.4° | 116.9° |
| C1' | C6 | C7 | O3' | 58.3° | 35.4° |
| C1' | C6 | C7 | N8 | 173.8° | 156.2° |
| C6 | C1' | C2' | S1' | 179.8° | 178.3° |
| C6 | C1' | S1' | MO1 | 167.0° | 165.9° |
| C6 | C1' | C2' | S2' | 178.6° | 173.5° |
| C6 | C1' | C2' | C3' | 2.0° | 5.8° |
| C1' | C6 | N5 | H3 | 68.0° | 28.4° |
| C1' | C6 | C7 | H6 | 62.3° | 84.1° |
| C6 | C7 | O3' | N8 | 117.4° | 124.3° |
| C6 | C7 | O3' | H6 | 119.9° | 119.5° |
| C6 | C7 | N8 | H6 | 123.1° | 120.3° |
| C6 | C7 | N8 | C10 | 29.8° | 25.5° |
| C7 | C6 | C1' | C2' | 28.5° | 8.7° |
| C7 | C6 | C1' | S1' | 151.3° | 169.6° |
| C6 | C7 | O3' | C3' | 65.5° | 53.8° |
| C7 | C6 | N5 | H3 | 170.5° | 155.1° |
| C6 | C7 | N8 | H7 | 92.1° | 154.3° |
| O3' | C7 | N8 | H6 | 122.4° | 117.0° |
| O3' | C7 | N8 | C10 | 84.6° | 97.2° |
| C7 | O3' | C3' | C2' | 35.0° | 39.3° |
| C7 | O3' | C3' | C4' | 152.6° | 164.6° |
| O3' | C7 | C6 | H5 | 174.7° | 152.3° |
| O3' | C7 | N8 | H7 | 153.5° | 82.9° |
| C7 | O3' | C3' | H9 | 86.9° | 79.6° |
| C7 | N8 | C10 | H7 | 121.9° | 179.9° |
| C7 | N8 | C10 | C9 | 6.2° | 10.6° |
| N8 | C7 | O3' | C3' | 177.0° | 178.1° |
| N8 | C7 | C6 | H5 | 69.8° | 86.8° |
| C10 | N8 | C7 | H6 | 152.9° | 145.8° |
| C10 | C9 | N5 | H3 | 145.8° | 169.8° |
| C9 | C10 | N8 | H7 | 115.7° | 169.2° |
| C2' | C1' | S1' | MO1 | 13.2° | 15.7° |
| C1' | C2' | S2' | C3' | 179.4° | 179.2° |
| C1' | C2' | S2' | MO1 | 15.0° | 22.8° |
| C1' | C2' | C3' | C4' | 118.0° | 127.2° |
| C1' | C2' | C3' | O3' | 0.6° | 7.4° |
| C2' | C1' | C6 | H5 | 144.6° | 125.1° |
| C1' | C2' | C3' | H9 | 122.2° | 112.5° |
| S1' | C1' | C2' | S2' | 1.2° | 4.8° |
| S1' | C1' | C2' | C3' | 178.1° | 176.0° |
| C1' | S1' | MO1 | S2' | 16.4° | 21.4° |
| C1' | S1' | MO1 | O1 | 88.5° | 68.6° |
| C1' | S1' | MO1 | S1 | 161.1° | 158.6° |
| S1' | C1' | C6 | H5 | 35.3° | 53.2° |
| S1' | MO1 | S2' | C2' | 16.5° | 23.6° |
| S1' | MO1 | S2' | O1 | 109.8° | 90.1° |
| S1' | MO1 | S2' | S1 | 79.4° | 0.8° |
| S1' | MO1 | O1 | S1 | 96.0° | 94.4° |
| S1' | MO1 | S1 | H14 | 180.0° | 18.6° |
| S2' | C2' | C3' | C4' | 61.4° | 53.6° |
| S2' | C2' | C3' | O3' | 180.0° | 173.4° |
| C2' | S2' | MO1 | O1 | 93.3° | 66.5° |
| C2' | S2' | MO1 | S1 | 96.0° | 22.8° |
| S2' | C2' | C3' | H9 | 58.4° | 66.7° |
| C3' | C2' | S2' | MO1 | 164.4° | 157.9° |
| C2' | C3' | C4' | O3' | 119.4° | 123.8° |
| C2' | C3' | C4' | H9 | 120.0° | 119.8° |
| C2' | C3' | O3' | H9 | 121.9° | 118.9° |
| C2' | C3' | C4' | O4' | 171.3° | 179.0° |
| C2' | C3' | C4' | H10 | 67.8° | 59.8° |
| C2' | C3' | C4' | H11 | 50.3° | 58.1° |
| S2' | MO1 | O1 | S1 | 174.2° | 175.7° |
| S2' | MO1 | S1 | H14 | 101.9° | 17.8° |
| C4' | C3' | O3' | H9 | 120.5° | 115.9° |
| C3' | C4' | O4' | H10 | 120.9° | 120.6° |
| C3' | C4' | O4' | H11 | 120.9° | 120.7° |
| C3' | C4' | O4' | P | 77.1° | 178.7° |
| C3' | C4' | H10 | H11 | 117.1° | 118.8° |
| O3' | C3' | C4' | O4' | 51.9° | 57.2° |
| C3' | O3' | C7 | H6 | 54.4° | 65.7° |
| O3' | C3' | C4' | H10 | 172.8° | 64.0° |
| O3' | C3' | C4' | H11 | 69.1° | 178.1° |
| C4' | O4' | P | O1P | 47.6° | 57.5° |
| C4' | O4' | P | O3P | 168.1° | 179.6° |
| C4' | O4' | P | O2P | 75.0° | 66.3° |
| O4' | C4' | C3' | H9 | 68.7° | 59.2° |
| O4' | C4' | H10 | H11 | 117.1° | 119.7° |
| O4' | P | O1P | O3P | 120.5° | 119.4° |
| O4' | P | O1P | O2P | 120.7° | 120.7° |
| O4' | P | O3P | O2P | 118.5° | 113.5° |
| P | O4' | C4' | H10 | 43.8° | 60.6° |
| P | O4' | C4' | H11 | 161.9° | 58.1° |
| O4' | P | O2P | H12 | 120.2° | 60.1° |
| O4' | P | O3P | H13 | 119.4° | 180.0° |
| O1P | P | O3P | O2P | 122.1° | 123.3° |
| O1P | P | O2P | H12 | 0.0° | 176.0° |
| O1P | P | O3P | H13 | 0.0° | 56.9° |
| O3P | P | O2P | H12 | 120.7° | 52.8° |
| O2P | P | O3P | H13 | 122.1° | 66.5° |
| O1 | MO1 | S1 | H14 | 68.6° | 71.5° |
| H3 | N5 | C6 | H5 | 51.7° | 88.1° |
| H5 | C6 | C7 | H6 | 54.1° | 32.8° |
| H6 | C7 | N8 | H7 | 31.0° | 34.0° |
| H9 | C3' | C4' | H10 | 52.3° | 179.6° |
| H9 | C3' | C4' | H11 | 170.4° | 61.7° |
