ME6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| C2 | N1 | sing | 1.35Å | 1.43Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | |
| C20 | N3 | sing | 1.46Å | 1.47Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C4 | N4 | sing | 1.37Å | 1.36Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | sing | 1.36Å | 1.35Å | |
| C1' | N1 | sing | 1.46Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | C2' | sing | 1.54Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.55Å | 1.50Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| P | O3P | sing | 1.61Å | 1.51Å | |
| P | O1P | doub | 1.48Å | 1.83Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O2P | P | sing | 1.61Å | 1.52Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N1 | 122.9° | 119.5° |
| O2 | C2 | N3 | 116.5° | 119.5° |
| N1 | C2 | N3 | 120.6° | 121.1° |
| C2 | N1 | C6 | 118.5° | 120.4° |
| C2 | N1 | C1' | 125.5° | 119.8° |
| C2 | N3 | C4 | 120.9° | 120.7° |
| C2 | N3 | C20 | 118.5° | 119.7° |
| C4 | N3 | C20 | 120.6° | 119.6° |
| N3 | C4 | N4 | 120.6° | 120.2° |
| N3 | C4 | C5 | 120.2° | 119.6° |
| N3 | C20 | H20 | 109.5° | 109.5° |
| N3 | C20 | H20A | 109.5° | 109.5° |
| N3 | C20 | H20B | 109.4° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.4° |
| N4 | C4 | C5 | 119.2° | 120.2° |
| C4 | N4 | HN4 | 110.1° | 120.0° |
| C4 | N4 | H17 | 125.0° | 120.1° |
| C4 | C5 | H5 | 120.3° | 120.5° |
| C4 | C5 | C6 | 119.5° | 119.0° |
| HN4 | N4 | H17 | 124.9° | 120.0° |
| H5 | C5 | C6 | 120.2° | 120.6° |
| C5 | C6 | H6 | 119.9° | 120.3° |
| C5 | C6 | N1 | 120.3° | 119.3° |
| H6 | C6 | N1 | 119.8° | 120.4° |
| C6 | N1 | C1' | 115.8° | 119.8° |
| N1 | C1' | H1' | 93.5° | 110.3° |
| N1 | C1' | O4' | 122.3° | 110.4° |
| N1 | C1' | C2' | 114.9° | 110.4° |
| H1' | C1' | O4' | 104.8° | 110.4° |
| H1' | C1' | C2' | 114.3° | 110.4° |
| O4' | C1' | C2' | 106.2° | 104.9° |
| C1' | O4' | C4' | 105.6° | 105.3° |
| C1' | C2' | H2' | 114.0° | 110.5° |
| C1' | C2' | H2'A | 116.6° | 110.5° |
| C1' | C2' | C3' | 96.6° | 104.1° |
| H2' | C2' | H2'A | 100.0° | 110.4° |
| H2' | C2' | C3' | 114.0° | 110.5° |
| H2'A | C2' | C3' | 116.6° | 110.7° |
| C2' | C3' | O3' | 106.9° | 110.5° |
| C2' | C3' | H3' | 116.3° | 110.5° |
| C2' | C3' | C4' | 100.3° | 104.1° |
| O3' | C3' | H3' | 109.2° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | C4' | 108.5° | 110.5° |
| H3' | C3' | C4' | 114.9° | 110.6° |
| O4' | C4' | C3' | 106.6° | 104.8° |
| O4' | C4' | H4' | 113.6° | 110.4° |
| O4' | C4' | C5' | 102.7° | 110.4° |
| C3' | C4' | H4' | 113.0° | 110.3° |
| C3' | C4' | C5' | 103.4° | 110.5° |
| H4' | C4' | C5' | 116.4° | 110.4° |
| C4' | C5' | H5' | 112.7° | 109.5° |
| C4' | C5' | H5'A | 114.6° | 109.5° |
| C4' | C5' | O5' | 100.2° | 109.5° |
| H5' | C5' | H5'A | 102.6° | 109.5° |
| H5' | C5' | O5' | 112.7° | 109.4° |
| H5'A | C5' | O5' | 114.6° | 109.5° |
| C5' | O5' | P | 119.2° | 123.0° |
| O5' | P | O3P | 107.3° | 109.5° |
| O5' | P | O1P | 161.6° | 109.5° |
| O5' | P | O2P | 108.7° | 109.5° |
| O3P | P | O1P | 70.0° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O2P | 118.8° | 109.5° |
| O1P | P | O2P | 87.7° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N1 | N3 | 179.2° | 179.8° |
| O2 | C2 | N3 | C4 | 179.6° | 180.0° |
| O2 | C2 | N3 | C20 | 0.4° | 0.1° |
| O2 | C2 | N1 | C6 | 178.9° | 179.7° |
| O2 | C2 | N1 | C1' | 3.4° | 0.1° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| N1 | C2 | N3 | C20 | 178.8° | 179.7° |
| C2 | N1 | C6 | C5 | 2.5° | 0.5° |
| C2 | N1 | C6 | H6 | 177.5° | 179.6° |
| C2 | N1 | C6 | C1' | 175.9° | 179.8° |
| C2 | N1 | C1' | H1' | 85.0° | 5.7° |
| C2 | N1 | C1' | O4' | 24.9° | 127.9° |
| C2 | N1 | C1' | C2' | 156.0° | 116.6° |
| C2 | N3 | C4 | C20 | 179.1° | 180.0° |
| C2 | N3 | C20 | H20 | 108.3° | 89.9° |
| C2 | N3 | C20 | H20A | 11.8° | 150.0° |
| C2 | N3 | C20 | H20B | 131.8° | 30.0° |
| C2 | N3 | C4 | N4 | 179.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.0° |
| N3 | C2 | N1 | C6 | 1.9° | 0.5° |
| N3 | C2 | N1 | C1' | 177.3° | 179.7° |
| C4 | N3 | C20 | H20 | 72.6° | 90.0° |
| C4 | N3 | C20 | H20A | 167.4° | 30.0° |
| C4 | N3 | C20 | H20B | 47.4° | 150.0° |
| N3 | C4 | N4 | C5 | 180.0° | 180.0° |
| N3 | C4 | N4 | HN4 | 180.0° | 0.0° |
| N3 | C4 | C5 | H5 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.1° |
| N3 | C4 | N4 | H17 | 0.0° | 180.0° |
| N3 | C20 | H20 | H20A | 120.0° | 120.1° |
| N3 | C20 | H20 | H20B | 120.0° | 120.0° |
| N3 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | N3 | C4 | N4 | 0.2° | 0.0° |
| C20 | N3 | C4 | C5 | 179.7° | 180.0° |
| H20 | C20 | H20A | H20B | 120.0° | 119.9° |
| C4 | N4 | HN4 | H17 | 180.0° | 180.0° |
| N4 | C4 | C5 | H5 | 0.0° | 0.0° |
| N4 | C4 | C5 | C6 | 180.0° | 179.9° |
| C5 | C4 | N4 | HN4 | 0.0° | 180.0° |
| C4 | C5 | H5 | C6 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 178.4° | 179.9° |
| C4 | C5 | C6 | N1 | 1.6° | 0.2° |
| C5 | C4 | N4 | H17 | 180.0° | 0.0° |
| H5 | C5 | C6 | H6 | 1.6° | 0.1° |
| H5 | C5 | C6 | N1 | 178.4° | 179.7° |
| C5 | C6 | H6 | N1 | 180.0° | 179.9° |
| C5 | C6 | N1 | C1' | 178.4° | 179.8° |
| H6 | C6 | N1 | C1' | 1.6° | 0.1° |
| C6 | N1 | C1' | H1' | 90.5° | 174.5° |
| C6 | N1 | C1' | O4' | 159.5° | 52.3° |
| C6 | N1 | C1' | C2' | 28.4° | 63.2° |
| N1 | C1' | H1' | O4' | 124.8° | 122.3° |
| N1 | C1' | H1' | C2' | 119.4° | 122.3° |
| N1 | C1' | O4' | C2' | 134.6° | 118.9° |
| N1 | C1' | C2' | H2' | 58.2° | 98.5° |
| N1 | C1' | C2' | H2'A | 57.6° | 24.0° |
| N1 | C1' | C2' | C3' | 178.2° | 142.8° |
| N1 | C1' | O4' | C4' | 156.0° | 159.3° |
| H1' | C1' | O4' | C2' | 121.4° | 118.9° |
| H1' | C1' | C2' | H2' | 48.3° | 23.7° |
| H1' | C1' | C2' | H2'A | 164.1° | 146.2° |
| H1' | C1' | C2' | C3' | 71.8° | 94.9° |
| H1' | C1' | O4' | C4' | 100.0° | 78.4° |
| O4' | C1' | C2' | H2' | 163.3° | 142.6° |
| O4' | C1' | C2' | H2'A | 80.9° | 94.9° |
| O4' | C1' | C2' | C3' | 43.3° | 23.9° |
| C1' | O4' | C4' | C3' | 9.9° | 40.4° |
| C1' | O4' | C4' | H4' | 135.0° | 78.3° |
| C1' | O4' | C4' | C5' | 98.4° | 159.4° |
| C1' | C2' | H2' | H2'A | 125.2° | 122.5° |
| C1' | C2' | H2' | C3' | 109.7° | 114.7° |
| C1' | C2' | H2'A | C3' | 113.2° | 114.8° |
| C1' | C2' | C3' | O3' | 66.2° | 118.6° |
| C1' | C2' | C3' | H3' | 171.5° | 118.8° |
| C2' | C1' | O4' | C4' | 21.4° | 40.5° |
| C1' | C2' | C3' | C4' | 46.9° | 0.0° |
| H2' | C2' | H2'A | C3' | 123.4° | 122.7° |
| H2' | C2' | C3' | O3' | 53.8° | 0.0° |
| H2' | C2' | C3' | H3' | 68.5° | 122.6° |
| H2' | C2' | C3' | C4' | 166.9° | 118.6° |
| H2'A | C2' | C3' | O3' | 169.6° | 122.6° |
| H2'A | C2' | C3' | H3' | 47.3° | 0.1° |
| H2'A | C2' | C3' | C4' | 77.3° | 118.7° |
| C2' | C3' | O3' | H3' | 126.6° | 122.6° |
| C2' | C3' | O3' | C4' | 107.4° | 114.6° |
| C2' | C3' | H3' | C4' | 116.8° | 114.7° |
| C2' | C3' | O3' | HO3' | 22.5° | 61.5° |
| C2' | C3' | C4' | O4' | 37.4° | 23.9° |
| C2' | C3' | C4' | H4' | 162.8° | 94.9° |
| C2' | C3' | C4' | C5' | 70.5° | 142.8° |
| O3' | C3' | H3' | C4' | 122.1° | 122.7° |
| O3' | C3' | C4' | O4' | 74.5° | 142.6° |
| O3' | C3' | C4' | H4' | 50.9° | 23.8° |
| O3' | C3' | C4' | C5' | 177.6° | 98.5° |
| H3' | C3' | O3' | HO3' | 104.2° | 61.2° |
| H3' | C3' | C4' | O4' | 163.0° | 94.8° |
| H3' | C3' | C4' | H4' | 71.6° | 146.4° |
| H3' | C3' | C4' | C5' | 55.1° | 24.1° |
| HO3' | O3' | C3' | C4' | 129.9° | 176.1° |
| O4' | C4' | C3' | H4' | 125.5° | 118.8° |
| O4' | C4' | C3' | C5' | 107.9° | 118.9° |
| O4' | C4' | H4' | C5' | 119.0° | 122.3° |
| O4' | C4' | C5' | H5' | 136.6° | 173.6° |
| O4' | C4' | C5' | H5'A | 106.6° | 53.6° |
| O4' | C4' | C5' | O5' | 16.6° | 66.4° |
| C3' | C4' | H4' | C5' | 119.4° | 122.4° |
| C3' | C4' | C5' | H5' | 112.6° | 58.1° |
| C3' | C4' | C5' | H5'A | 4.2° | 61.9° |
| C3' | C4' | C5' | O5' | 127.4° | 178.1° |
| H4' | C4' | C5' | H5' | 11.9° | 64.1° |
| H4' | C4' | C5' | H5'A | 128.7° | 175.9° |
| H4' | C4' | C5' | O5' | 108.1° | 55.9° |
| C4' | C5' | H5' | H5'A | 123.8° | 120.0° |
| C4' | C5' | H5' | O5' | 112.5° | 120.1° |
| C4' | C5' | H5'A | O5' | 115.1° | 120.0° |
| C4' | C5' | O5' | P | 142.7° | 180.0° |
| H5' | C5' | H5'A | O5' | 122.5° | 120.0° |
| H5' | C5' | O5' | P | 97.3° | 59.9° |
| H5'A | C5' | O5' | P | 19.4° | 60.0° |
| C5' | O5' | P | O3P | 57.4° | 65.0° |
| C5' | O5' | P | O1P | 136.0° | 55.0° |
| C5' | O5' | P | O2P | 72.3° | 175.0° |
| O5' | P | O3P | O1P | 160.8° | 120.0° |
| O5' | P | O3P | O2P | 123.7° | 120.0° |
| O5' | P | O1P | O2P | 153.3° | 120.0° |
| O5' | P | O3P | HO3P | 166.0° | 60.0° |
| O5' | P | O2P | HO2P | 103.1° | 179.9° |
| O3P | P | O1P | O2P | 121.9° | 120.0° |
| O3P | P | O2P | HO2P | 133.9° | 60.0° |
| O1P | P | O3P | HO3P | 33.2° | 180.0° |
| O1P | P | O2P | HO2P | 68.3° | 60.0° |
| HO3P | O3P | P | O2P | 42.3° | 60.0° |
