DYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | sing | 1.36Å | 1.36Å | |
| N1 | C2 | doub | 1.34Å | 1.41Å | |
| C2 | N2 | sing | 1.33Å | 1.35Å | |
| C2 | N3 | sing | 1.37Å | 1.36Å | |
| N3 | C4 | sing | 1.39Å | 1.40Å | |
| C4 | C9 | sing | 1.44Å | 1.48Å | |
| C4 | O4 | doub | 1.23Å | 1.31Å | |
| N5 | C9 | sing | 1.39Å | 1.68Å | |
| N5 | C6 | sing | 1.46Å | 1.63Å | |
| C6 | C7 | sing | 1.56Å | 1.68Å | |
| C6 | C1' | sing | 1.53Å | 1.42Å | |
| C7 | O3' | sing | 1.44Å | 1.45Å | |
| C7 | N8 | sing | 1.46Å | 1.45Å | |
| N8 | C10 | sing | 1.36Å | 1.39Å | |
| C9 | C10 | doub | 1.41Å | 1.63Å | |
| C1' | C2' | doub | 1.35Å | 1.48Å | |
| C1' | S1' | sing | 1.68Å | 1.65Å | |
| S1' | MO1 | sing | 2.26Å | 2.45Å | |
| C2' | S2' | sing | 1.68Å | 1.74Å | |
| C2' | C3' | sing | 1.52Å | 1.58Å | |
| S2' | MO1 | sing | 2.27Å | 2.72Å | |
| C3' | O3' | sing | 1.44Å | 1.45Å | |
| C3' | C4' | sing | 1.53Å | 1.41Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| O4' | P | sing | 1.57Å | 1.39Å | |
| P | O2P | doub | 1.49Å | 1.48Å | |
| P | O3P | sing | 1.54Å | 1.37Å | |
| P | O1P | sing | 1.54Å | 1.56Å | |
| MO1 | OM1 | doub | 1.66Å | 2.02Å | |
| MO1 | OM2 | doub | 1.66Å | 1.72Å | |
| MO1 | OM3 | sing | 1.66Å | 1.72Å | |
| 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 | |
| O1P | H12 | sing | 0.89Å | 0.95Å | |
| O3P | H13 | sing | 0.89Å | 0.95Å | |
| OM3 | H14 | sing | 0.87Å | 0.95Å | |
| H4 | N3 | sing | 0.88Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C2 | 127.6° | 118.1° |
| N1 | C10 | N8 | 126.1° | 116.7° |
| N1 | C10 | C9 | 113.6° | 122.3° |
| N1 | C2 | N2 | 116.4° | 119.2° |
| N1 | C2 | N3 | 119.5° | 122.9° |
| N2 | C2 | N3 | 124.0° | 117.9° |
| C2 | N2 | H1 | 120.0° | 120.2° |
| C2 | N2 | H2 | 120.0° | 120.6° |
| C2 | N3 | C4 | 122.9° | 122.5° |
| C2 | N3 | H4 | 118.6° | 119.1° |
| N3 | C4 | C9 | 121.1° | 115.0° |
| N3 | C4 | O4 | 124.5° | 119.7° |
| C4 | N3 | H4 | 118.5° | 118.4° |
| C9 | C4 | O4 | 114.5° | 125.3° |
| C4 | C9 | N5 | 126.1° | 121.3° |
| C4 | C9 | C10 | 115.3° | 119.2° |
| C9 | N5 | C6 | 111.2° | 122.8° |
| N5 | C9 | C10 | 118.5° | 119.4° |
| C9 | N5 | H3 | 109.0° | 117.7° |
| N5 | C6 | C7 | 109.6° | 112.4° |
| N5 | C6 | C1' | 113.2° | 110.6° |
| C6 | N5 | H3 | 109.0° | 119.5° |
| N5 | C6 | H5 | 106.4° | 107.7° |
| C7 | C6 | C1' | 112.4° | 112.4° |
| C6 | C7 | O3' | 106.7° | 111.1° |
| C6 | C7 | N8 | 117.3° | 112.8° |
| C7 | C6 | H5 | 105.9° | 106.2° |
| C6 | C7 | H6 | 107.1° | 108.8° |
| C6 | C1' | C2' | 116.9° | 122.8° |
| C6 | C1' | S1' | 113.6° | 116.6° |
| C1' | C6 | H5 | 108.9° | 107.3° |
| O3' | C7 | N8 | 105.7° | 107.4° |
| C7 | O3' | C3' | 119.1° | 121.3° |
| O3' | C7 | H6 | 109.9° | 108.8° |
| C7 | N8 | C10 | 123.8° | 122.7° |
| N8 | C7 | H6 | 110.0° | 107.7° |
| C7 | N8 | H7 | 105.8° | 119.0° |
| N8 | C10 | C9 | 120.3° | 120.9° |
| C10 | N8 | H7 | 105.8° | 118.2° |
| C2' | C1' | S1' | 129.6° | 120.6° |
| C1' | C2' | S2' | 115.6° | 118.2° |
| C1' | C2' | C3' | 122.5° | 121.7° |
| C1' | S1' | MO1 | 105.6° | 106.9° |
| S1' | MO1 | S2' | 79.2° | 83.0° |
| S1' | MO1 | OM1 | 150.3° | 176.5° |
| S1' | MO1 | OM2 | 123.3° | 90.0° |
| S1' | MO1 | OM3 | 86.7° | 93.5° |
| S2' | C2' | C3' | 122.0° | 120.2° |
| C2' | S2' | MO1 | 102.4° | 107.1° |
| C2' | C3' | O3' | 113.4° | 113.5° |
| C2' | C3' | C4' | 99.7° | 114.3° |
| C2' | C3' | H9 | 107.6° | 107.4° |
| S2' | MO1 | OM1 | 80.2° | 93.5° |
| S2' | MO1 | OM2 | 107.1° | 89.9° |
| S2' | MO1 | OM3 | 152.6° | 176.5° |
| O3' | C3' | C4' | 116.4° | 104.1° |
| O3' | C3' | H9 | 109.3° | 109.1° |
| C3' | C4' | O4' | 108.4° | 109.9° |
| C4' | C3' | H9 | 109.9° | 108.4° |
| C3' | C4' | H10 | 109.8° | 109.2° |
| C3' | C4' | H11 | 109.8° | 109.6° |
| C4' | O4' | P | 125.3° | 122.0° |
| O4' | C4' | H10 | 109.8° | 110.1° |
| O4' | C4' | H11 | 109.7° | 109.9° |
| O4' | P | O2P | 111.8° | 112.4° |
| O4' | P | O3P | 110.1° | 106.0° |
| O4' | P | O1P | 108.4° | 106.9° |
| O2P | P | O3P | 106.9° | 112.2° |
| O2P | P | O1P | 111.3° | 112.5° |
| O3P | P | O1P | 108.4° | 106.4° |
| P | O3P | H13 | 109.5° | 109.4° |
| P | O1P | H12 | 109.5° | 109.5° |
| OM1 | MO1 | OM2 | 83.3° | 89.9° |
| OM1 | MO1 | OM3 | 102.5° | 90.0° |
| OM2 | MO1 | OM3 | 100.3° | 89.9° |
| MO1 | OM3 | H14 | 109.5° | 109.6° |
| H1 | N2 | H2 | 120.0° | 119.2° |
| H10 | C4' | H11 | 109.4° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N1 | C2 | N2 | 179.9° | 179.2° |
| C10 | N1 | C2 | N3 | 0.1° | 1.1° |
| N1 | C10 | C9 | C4 | 0.1° | 2.4° |
| N1 | C10 | C9 | N5 | 176.5° | 179.5° |
| N1 | C10 | N8 | C7 | 178.7° | 170.1° |
| N1 | C10 | N8 | C9 | 179.9° | 178.0° |
| N1 | C10 | N8 | H7 | 59.4° | 10.0° |
| N1 | C2 | N2 | N3 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.0° | 0.6° |
| C2 | N1 | C10 | N8 | 179.8° | 180.0° |
| C2 | N1 | C10 | C9 | 0.0° | 2.0° |
| N1 | C2 | N2 | H1 | 0.0° | 0.1° |
| N1 | C2 | N2 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | H4 | 180.0° | 179.7° |
| N2 | C2 | N3 | C4 | 180.0° | 179.7° |
| C2 | N2 | H1 | H2 | 180.0° | 180.0° |
| N2 | C2 | N3 | H4 | 0.0° | 0.0° |
| C2 | N3 | C4 | H4 | 180.0° | 179.7° |
| C2 | N3 | C4 | C9 | 0.2° | 1.0° |
| C2 | N3 | C4 | O4 | 179.8° | 179.7° |
| N3 | C2 | N2 | H1 | 180.0° | 179.6° |
| N3 | C2 | N2 | H2 | 0.0° | 0.4° |
| N3 | C4 | C9 | O4 | 180.0° | 178.6° |
| N3 | C4 | C9 | N5 | 176.3° | 179.8° |
| N3 | C4 | C9 | C10 | 0.2° | 1.8° |
| C4 | C9 | N5 | C10 | 175.9° | 178.1° |
| C4 | C9 | N5 | C6 | 156.3° | 171.1° |
| C4 | C9 | C10 | N8 | 180.0° | 179.7° |
| C4 | C9 | N5 | H3 | 36.1° | 8.6° |
| C9 | C4 | N3 | H4 | 179.8° | 179.3° |
| O4 | C4 | C9 | N5 | 3.7° | 1.5° |
| O4 | C4 | C9 | C10 | 179.8° | 179.6° |
| O4 | C4 | N3 | H4 | 0.2° | 0.6° |
| C9 | N5 | C6 | H3 | 120.2° | 179.7° |
| C9 | N5 | C6 | C7 | 42.7° | 26.9° |
| C9 | N5 | C6 | C1' | 169.1° | 153.3° |
| N5 | C9 | C10 | N8 | 3.6° | 1.6° |
| C9 | N5 | C6 | H5 | 71.3° | 89.8° |
| N5 | C6 | C7 | C1' | 126.8° | 125.5° |
| N5 | C6 | C7 | H5 | 114.4° | 117.5° |
| N5 | C6 | C1' | H5 | 118.1° | 117.2° |
| N5 | C6 | C7 | O3' | 67.4° | 87.4° |
| N5 | C6 | C7 | N8 | 50.8° | 33.3° |
| C6 | N5 | C9 | C10 | 19.6° | 10.9° |
| N5 | C6 | C1' | C2' | 92.7° | 114.5° |
| N5 | C6 | C1' | S1' | 87.0° | 67.5° |
| N5 | C6 | C7 | H6 | 174.9° | 152.8° |
| C7 | C6 | C1' | H5 | 117.0° | 116.4° |
| C6 | C7 | O3' | N8 | 125.5° | 123.8° |
| C6 | C7 | O3' | H6 | 115.9° | 119.8° |
| C6 | C7 | N8 | H6 | 122.7° | 120.1° |
| C6 | C7 | N8 | C10 | 29.4° | 28.0° |
| C7 | C6 | C1' | C2' | 32.2° | 12.0° |
| C7 | C6 | C1' | S1' | 148.1° | 166.0° |
| C6 | C7 | O3' | C3' | 55.7° | 50.4° |
| C7 | C6 | N5 | H3 | 163.0° | 153.5° |
| C6 | C7 | N8 | H7 | 92.6° | 151.9° |
| C1' | C6 | C7 | O3' | 59.5° | 38.1° |
| C1' | C6 | C7 | N8 | 177.6° | 158.8° |
| C6 | C1' | C2' | S1' | 179.7° | 178.0° |
| C6 | C1' | S1' | MO1 | 158.3° | 172.4° |
| C6 | C1' | C2' | S2' | 179.7° | 171.8° |
| C6 | C1' | C2' | C3' | 0.3° | 7.5° |
| C1' | C6 | N5 | H3 | 70.6° | 27.0° |
| C1' | C6 | C7 | H6 | 58.3° | 81.7° |
| O3' | C7 | N8 | H6 | 118.6° | 117.1° |
| O3' | C7 | N8 | C10 | 89.3° | 94.8° |
| C7 | O3' | C3' | C2' | 25.4° | 31.1° |
| C7 | O3' | C3' | C4' | 140.2° | 155.9° |
| O3' | C7 | C6 | H5 | 178.3° | 155.1° |
| O3' | C7 | N8 | H7 | 148.7° | 85.3° |
| C7 | O3' | C3' | H9 | 94.6° | 88.6° |
| C7 | N8 | C10 | H7 | 121.9° | 179.8° |
| C7 | N8 | C10 | C9 | 1.2° | 11.9° |
| N8 | C7 | O3' | C3' | 178.8° | 174.2° |
| N8 | C7 | C6 | H5 | 63.6° | 84.2° |
| C10 | N8 | C7 | H6 | 152.1° | 148.1° |
| C10 | C9 | N5 | H3 | 139.8° | 169.4° |
| C9 | C10 | N8 | H7 | 120.7° | 167.9° |
| C2' | C1' | S1' | MO1 | 21.4° | 9.5° |
| C1' | C2' | S2' | C3' | 180.0° | 179.3° |
| C1' | C2' | S2' | MO1 | 19.0° | 18.6° |
| C1' | C2' | C3' | O3' | 6.5° | 0.1° |
| C1' | C2' | C3' | C4' | 118.0° | 119.2° |
| C2' | C1' | C6 | H5 | 149.2° | 128.4° |
| C1' | C2' | C3' | H9 | 127.4° | 120.6° |
| S1' | C1' | C2' | S2' | 0.0° | 6.2° |
| S1' | C1' | C2' | C3' | 180.0° | 174.5° |
| C1' | S1' | MO1 | S2' | 21.9° | 15.1° |
| C1' | S1' | MO1 | OM1 | 68.7° | 13.8° |
| C1' | S1' | MO1 | OM2 | 81.6° | 74.8° |
| C1' | S1' | MO1 | OM3 | 178.3° | 164.7° |
| S1' | C1' | C6 | H5 | 31.1° | 49.7° |
| S1' | MO1 | S2' | C2' | 22.5° | 17.8° |
| S1' | MO1 | S2' | OM1 | 158.5° | 179.9° |
| S1' | MO1 | S2' | OM2 | 121.7° | 90.0° |
| S1' | MO1 | S2' | OM3 | 60.3° | 3.2° |
| S1' | MO1 | OM1 | OM2 | 155.3° | 88.6° |
| S1' | MO1 | OM1 | OM3 | 105.6° | 178.5° |
| S1' | MO1 | OM2 | OM3 | 92.8° | 93.5° |
| S1' | MO1 | OM3 | H14 | 123.2° | 115.0° |
| S2' | C2' | C3' | O3' | 173.5° | 179.4° |
| S2' | C2' | C3' | C4' | 62.0° | 61.5° |
| C2' | S2' | MO1 | OM1 | 179.0° | 162.1° |
| C2' | S2' | MO1 | OM2 | 99.2° | 72.2° |
| C2' | S2' | MO1 | OM3 | 82.8° | 14.6° |
| S2' | C2' | C3' | H9 | 52.6° | 58.7° |
| C3' | C2' | S2' | MO1 | 161.0° | 162.1° |
| C2' | C3' | O3' | C4' | 114.8° | 124.8° |
| C2' | C3' | O3' | H9 | 120.0° | 119.7° |
| C2' | C3' | C4' | H9 | 112.8° | 119.7° |
| C2' | C3' | C4' | O4' | 172.4° | 170.1° |
| C2' | C3' | C4' | H10 | 52.6° | 69.1° |
| C2' | C3' | C4' | H11 | 67.7° | 49.2° |
| S2' | MO1 | OM1 | OM2 | 108.7° | 89.9° |
| S2' | MO1 | OM1 | OM3 | 152.2° | 179.8° |
| S2' | MO1 | OM2 | OM3 | 179.1° | 176.5° |
| S2' | MO1 | OM3 | H14 | 178.1° | 118.1° |
| O3' | C3' | C4' | H9 | 124.8° | 116.0° |
| O3' | C3' | C4' | O4' | 65.2° | 65.6° |
| C3' | O3' | C7 | H6 | 60.2° | 69.4° |
| O3' | C3' | C4' | H10 | 174.9° | 55.2° |
| O3' | C3' | C4' | H11 | 54.6° | 173.5° |
| C3' | C4' | O4' | H10 | 119.9° | 120.3° |
| C3' | C4' | O4' | H11 | 119.8° | 120.7° |
| C3' | C4' | O4' | P | 98.6° | 167.8° |
| C3' | C4' | H10 | H11 | 120.5° | 119.2° |
| C4' | O4' | P | O2P | 91.3° | 58.0° |
| C4' | O4' | P | O3P | 150.0° | 179.1° |
| C4' | O4' | P | O1P | 31.6° | 65.8° |
| O4' | C4' | C3' | H9 | 59.6° | 50.4° |
| O4' | C4' | H10 | H11 | 120.5° | 120.1° |
| O4' | P | O2P | O3P | 120.5° | 119.4° |
| O4' | P | O2P | O1P | 121.3° | 120.7° |
| O4' | P | O3P | O1P | 118.3° | 113.6° |
| P | O4' | C4' | H10 | 21.2° | 71.9° |
| P | O4' | C4' | H11 | 141.5° | 47.1° |
| O4' | P | O1P | H12 | 123.3° | 60.0° |
| O4' | P | O3P | H13 | 121.6° | 180.0° |
| O2P | P | O3P | O1P | 120.0° | 123.4° |
| O2P | P | O1P | H12 | 0.0° | 176.2° |
| O2P | P | O3P | H13 | 0.0° | 56.9° |
| O3P | P | O1P | H12 | 117.3° | 53.0° |
| O1P | P | O3P | H13 | 120.0° | 66.5° |
| OM1 | MO1 | OM2 | OM3 | 101.6° | 90.0° |
| OM1 | MO1 | OM3 | H14 | 85.3° | 65.1° |
| OM2 | MO1 | OM3 | H14 | 0.0° | 155.1° |
| H3 | N5 | C6 | H5 | 48.9° | 89.9° |
| H5 | C6 | C7 | H6 | 60.5° | 35.3° |
| H6 | C7 | N8 | H7 | 30.1° | 31.7° |
| H9 | C3' | C4' | H10 | 60.2° | 171.2° |
| H9 | C3' | C4' | H11 | 179.4° | 70.5° |
