MBY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | C1' | sing | 1.55Å | 1.49Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C1' | N4' | sing | 1.49Å | 1.48Å | |
| C4' | N4' | sing | 1.48Å | 1.50Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| N4' | C7 | sing | 1.47Å | 1.49Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C2 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.50Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| C6 | O6 | sing | 1.36Å | 1.23Å | |
| C9 | C8 | doub | 1.32Å | 1.39Å | Aromatic |
| C5 | S7 | sing | 1.76Å | 1.68Å | Aromatic |
| C8 | S7 | sing | 1.76Å | 1.73Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| O5' | H10 | sing | 0.97Å | 0.95Å | |
| C3' | H11 | sing | 1.09Å | 1.10Å | |
| O3' | H12 | sing | 0.97Å | 0.95Å | |
| C2' | H13 | sing | 1.09Å | 1.10Å | |
| O2' | H14 | sing | 0.97Å | 0.95Å | |
| C1' | H15 | sing | 1.09Å | 1.10Å | |
| C1' | H16 | sing | 1.09Å | 1.10Å | |
| O6 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C3' | 109.9° | 110.7° |
| O2' | C2' | C1' | 108.1° | 110.8° |
| O2' | C2' | H13 | 111.4° | 110.8° |
| C2' | O2' | H14 | 109.5° | 114.0° |
| O3' | C3' | C2' | 109.0° | 110.4° |
| O3' | C3' | C4' | 110.2° | 110.3° |
| O3' | C3' | H11 | 111.5° | 110.3° |
| C3' | O3' | H12 | 109.5° | 114.0° |
| C3' | C2' | C1' | 107.3° | 102.9° |
| C2' | C3' | C4' | 105.5° | 105.1° |
| C2' | C3' | H11 | 110.1° | 110.3° |
| C3' | C2' | H13 | 109.7° | 110.7° |
| C2' | C1' | N4' | 103.2° | 103.3° |
| C1' | C2' | H13 | 110.5° | 110.8° |
| C2' | C1' | H15 | 111.0° | 110.6° |
| C2' | C1' | H16 | 111.0° | 110.7° |
| C3' | C4' | N4' | 102.6° | 107.1° |
| C3' | C4' | C5' | 110.3° | 109.9° |
| C3' | C4' | H7 | 109.8° | 110.0° |
| C4' | C3' | H11 | 110.3° | 110.3° |
| C1' | N4' | C4' | 106.9° | 105.8° |
| C1' | N4' | C7 | 116.3° | 111.0° |
| N4' | C1' | H15 | 111.0° | 110.7° |
| N4' | C1' | H16 | 111.0° | 110.6° |
| N4' | C4' | C5' | 114.0° | 109.9° |
| C4' | N4' | C7 | 119.1° | 111.0° |
| N4' | C4' | H7 | 110.1° | 109.9° |
| C4' | C5' | O5' | 110.6° | 109.4° |
| C5' | C4' | H7 | 109.7° | 109.9° |
| C4' | C5' | H8 | 109.2° | 109.5° |
| C4' | C5' | H9 | 109.2° | 109.4° |
| N4' | C7 | C9 | 114.4° | 109.5° |
| N4' | C7 | H4 | 108.2° | 109.5° |
| N4' | C7 | H5 | 108.2° | 109.5° |
| O5' | C5' | H8 | 109.2° | 109.5° |
| O5' | C5' | H9 | 109.2° | 109.5° |
| C5' | O5' | H10 | 109.5° | 114.0° |
| N3 | C2 | N1 | 121.2° | 122.6° |
| C2 | N3 | C4 | 122.1° | 121.0° |
| N3 | C2 | H2 | 119.4° | 118.7° |
| C2 | N1 | C6 | 122.0° | 120.8° |
| N1 | C2 | H2 | 119.4° | 118.7° |
| N3 | C4 | C9 | 130.0° | 129.7° |
| N3 | C4 | C5 | 120.7° | 117.8° |
| N1 | C6 | C5 | 118.3° | 119.0° |
| N1 | C6 | O6 | 121.8° | 120.5° |
| C9 | C4 | C5 | 109.3° | 112.5° |
| C4 | C9 | C7 | 125.0° | 122.1° |
| C4 | C9 | C8 | 111.6° | 115.7° |
| C4 | C5 | C6 | 115.6° | 118.8° |
| C4 | C5 | S7 | 113.1° | 109.5° |
| C7 | C9 | C8 | 123.4° | 122.1° |
| C9 | C7 | H4 | 108.2° | 109.5° |
| C9 | C7 | H5 | 108.2° | 109.5° |
| C5 | C6 | O6 | 119.9° | 120.5° |
| C6 | C5 | S7 | 131.3° | 131.7° |
| C6 | O6 | H17 | 109.5° | 114.0° |
| C9 | C8 | S7 | 112.4° | 110.8° |
| C9 | C8 | H3 | 123.8° | 124.6° |
| C5 | S7 | C8 | 93.6° | 91.5° |
| S7 | C8 | H3 | 123.8° | 124.6° |
| H4 | C7 | H5 | 109.4° | 109.4° |
| H8 | C5' | H9 | 109.5° | 109.5° |
| H15 | C1' | H16 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C3' | O3' | 4.5° | 22.5° |
| O2' | C2' | C3' | C1' | 117.2° | 118.4° |
| O2' | C2' | C3' | H13 | 122.7° | 123.2° |
| O2' | C2' | C1' | H13 | 122.1° | 123.3° |
| O2' | C2' | C3' | C4' | 113.8° | 96.5° |
| O2' | C2' | C1' | N4' | 93.4° | 80.9° |
| O2' | C2' | C3' | H11 | 127.1° | 144.6° |
| O2' | C2' | C1' | H15 | 147.6° | 37.5° |
| O2' | C2' | C1' | H16 | 25.6° | 160.6° |
| O3' | C3' | C2' | C4' | 118.4° | 119.0° |
| O3' | C3' | C2' | H11 | 122.6° | 122.1° |
| O3' | C3' | C2' | C1' | 121.8° | 140.9° |
| O3' | C3' | C4' | H11 | 123.6° | 122.1° |
| O3' | C3' | C4' | N4' | 98.4° | 117.8° |
| O3' | C3' | C4' | C5' | 139.7° | 122.9° |
| O3' | C3' | C4' | H7 | 18.7° | 1.7° |
| O3' | C3' | C2' | H13 | 118.2° | 100.7° |
| C3' | C2' | C1' | H13 | 119.5° | 118.3° |
| C2' | C3' | C4' | H11 | 118.9° | 118.9° |
| C3' | C2' | C1' | N4' | 25.0° | 37.4° |
| C2' | C3' | C4' | N4' | 19.1° | 1.2° |
| C2' | C3' | C4' | C5' | 102.7° | 118.1° |
| C2' | C3' | C4' | H7 | 136.2° | 120.6° |
| C2' | C3' | O3' | H12 | 180.0° | 64.3° |
| C3' | C2' | O2' | H14 | 180.0° | 180.0° |
| C3' | C2' | C1' | H15 | 94.0° | 155.9° |
| C3' | C2' | C1' | H16 | 144.0° | 81.0° |
| C1' | C2' | C3' | C4' | 3.4° | 21.9° |
| C2' | C1' | N4' | H15 | 119.0° | 118.4° |
| C2' | C1' | N4' | H16 | 119.0° | 118.5° |
| C2' | C1' | N4' | C4' | 38.4° | 39.2° |
| C2' | C1' | N4' | C7 | 174.2° | 159.7° |
| C1' | C2' | C3' | H11 | 115.6° | 97.0° |
| C1' | C2' | O2' | H14 | 63.3° | 66.5° |
| C2' | C1' | H15 | H16 | 122.9° | 123.1° |
| C3' | C4' | N4' | C1' | 36.0° | 25.3° |
| C3' | C4' | N4' | C5' | 119.3° | 119.4° |
| C3' | C4' | N4' | H7 | 116.9° | 119.5° |
| C3' | C4' | C5' | H7 | 121.1° | 121.3° |
| C3' | C4' | N4' | C7 | 170.3° | 145.9° |
| C3' | C4' | C5' | O5' | 158.5° | 52.6° |
| C3' | C4' | C5' | H8 | 38.4° | 172.6° |
| C3' | C4' | C5' | H9 | 81.3° | 67.4° |
| C4' | C3' | O3' | H12 | 64.6° | 180.0° |
| C4' | C3' | C2' | H13 | 123.4° | 140.3° |
| C1' | N4' | C4' | C7 | 134.3° | 120.6° |
| C1' | N4' | C4' | C5' | 83.3° | 94.1° |
| C1' | N4' | C7 | C9 | 37.1° | 72.6° |
| C1' | N4' | C7 | H4 | 83.7° | 47.4° |
| C1' | N4' | C7 | H5 | 157.8° | 167.4° |
| C1' | N4' | C4' | H7 | 152.9° | 144.8° |
| N4' | C1' | C2' | H13 | 144.5° | 155.7° |
| N4' | C1' | H15 | H16 | 122.9° | 123.0° |
| N4' | C4' | C5' | H7 | 124.0° | 121.1° |
| N4' | C4' | C5' | O5' | 86.6° | 65.0° |
| C4' | N4' | C7 | C9 | 93.1° | 170.0° |
| C4' | N4' | C7 | H4 | 146.1° | 70.0° |
| C4' | N4' | C7 | H5 | 27.6° | 50.0° |
| N4' | C4' | C5' | H8 | 153.2° | 55.0° |
| N4' | C4' | C5' | H9 | 33.6° | 175.0° |
| N4' | C4' | C3' | H11 | 138.0° | 120.1° |
| C4' | N4' | C1' | H15 | 80.6° | 157.6° |
| C4' | N4' | C1' | H16 | 157.4° | 79.3° |
| C5' | C4' | N4' | C7 | 51.0° | 26.5° |
| C4' | C5' | O5' | H8 | 120.1° | 120.0° |
| C4' | C5' | O5' | H9 | 120.2° | 120.0° |
| C4' | C5' | H8 | H9 | 119.5° | 120.0° |
| C4' | C5' | O5' | H10 | 180.0° | 180.0° |
| C5' | C4' | C3' | H11 | 16.1° | 0.7° |
| N4' | C7 | C9 | C4 | 79.0° | 80.0° |
| N4' | C7 | C9 | H4 | 120.7° | 120.1° |
| N4' | C7 | C9 | H5 | 120.7° | 120.0° |
| N4' | C7 | C9 | C8 | 102.4° | 100.0° |
| N4' | C7 | H4 | H5 | 117.7° | 120.0° |
| C7 | N4' | C4' | H7 | 72.8° | 94.6° |
| C7 | N4' | C1' | H15 | 55.2° | 81.8° |
| C7 | N4' | C1' | H16 | 66.8° | 41.3° |
| O5' | C5' | C4' | H7 | 37.4° | 173.9° |
| O5' | C5' | H8 | H9 | 119.5° | 120.1° |
| N3 | C2 | N1 | H2 | 180.0° | 179.8° |
| N3 | C2 | N1 | C6 | 3.4° | 0.1° |
| C2 | N3 | C4 | C9 | 179.5° | 179.9° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| N1 | C2 | N3 | C4 | 2.1° | 0.1° |
| C2 | N1 | C6 | C5 | 3.4° | 0.1° |
| C2 | N1 | C6 | O6 | 178.1° | 179.7° |
| N3 | C4 | C9 | C5 | 178.6° | 180.0° |
| N3 | C4 | C9 | C7 | 0.6° | 0.0° |
| N3 | C4 | C5 | C6 | 1.1° | 0.0° |
| N3 | C4 | C9 | C8 | 179.4° | 180.0° |
| N3 | C4 | C5 | S7 | 179.8° | 179.7° |
| C4 | N3 | C2 | H2 | 177.9° | 179.9° |
| N1 | C6 | C5 | C4 | 2.2° | 0.1° |
| N1 | C6 | C5 | O6 | 178.5° | 179.8° |
| N1 | C6 | C5 | S7 | 179.3° | 179.7° |
| C6 | N1 | C2 | H2 | 176.6° | 180.0° |
| N1 | C6 | O6 | H17 | 0.0° | 89.8° |
| C4 | C9 | C7 | C8 | 178.6° | 180.0° |
| C9 | C4 | C5 | C6 | 179.8° | 180.0° |
| C9 | C4 | C5 | S7 | 1.4° | 0.2° |
| C4 | C9 | C8 | S7 | 1.8° | 0.2° |
| C4 | C9 | C8 | H3 | 178.2° | 180.0° |
| C4 | C9 | C7 | H4 | 41.7° | 159.9° |
| C4 | C9 | C7 | H5 | 160.2° | 40.0° |
| C5 | C4 | C9 | C7 | 179.2° | 180.0° |
| C4 | C5 | C6 | S7 | 178.4° | 179.6° |
| C4 | C5 | C6 | O6 | 179.3° | 179.8° |
| C5 | C4 | C9 | C8 | 2.0° | 0.0° |
| C4 | C5 | S7 | C8 | 0.4° | 0.3° |
| C7 | C9 | C8 | S7 | 179.4° | 179.8° |
| C7 | C9 | C8 | H3 | 0.6° | 0.0° |
| C9 | C7 | H4 | H5 | 117.7° | 120.0° |
| C6 | C5 | S7 | C8 | 178.9° | 180.0° |
| C5 | C6 | O6 | H17 | 178.4° | 90.1° |
| O6 | C6 | C5 | S7 | 0.8° | 0.1° |
| C9 | C8 | S7 | C5 | 0.8° | 0.3° |
| C9 | C8 | S7 | H3 | 180.0° | 179.8° |
| C8 | C9 | C7 | H4 | 136.9° | 20.1° |
| C8 | C9 | C7 | H5 | 18.4° | 140.0° |
| C5 | S7 | C8 | H3 | 179.2° | 179.9° |
| H7 | C4' | C5' | H8 | 82.7° | 66.1° |
| H7 | C4' | C5' | H9 | 157.6° | 53.9° |
| H7 | C4' | C3' | H11 | 104.9° | 120.5° |
| H8 | C5' | O5' | H10 | 59.8° | 60.1° |
| H9 | C5' | O5' | H10 | 59.8° | 60.0° |
| H11 | C3' | O3' | H12 | 58.3° | 57.8° |
| H11 | C3' | C2' | H13 | 4.4° | 21.4° |
| H13 | C2' | O2' | H14 | 58.3° | 56.9° |
| H13 | C2' | C1' | H15 | 25.5° | 85.8° |
| H13 | C2' | C1' | H16 | 96.5° | 37.3° |
