M6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O61 | P6 | sing | 1.61Å | 1.59Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| P6 | O62 | doub | 1.48Å | 1.57Å | |
| P6 | O6 | sing | 1.61Å | 1.62Å | |
| P6 | O63 | sing | 1.61Å | 1.50Å | |
| O63 | HO63 | sing | 0.97Å | 0.95Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN21 | sing | 1.01Å | 1.00Å | |
| N2 | HN22 | sing | 1.01Å | 1.00Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P6 | O61 | HO61 | 109.5° | 114.0° |
| O61 | P6 | O62 | 110.1° | 109.4° |
| O61 | P6 | O6 | 107.4° | 109.5° |
| O61 | P6 | O63 | 110.6° | 109.5° |
| O62 | P6 | O6 | 105.9° | 109.5° |
| O62 | P6 | O63 | 111.6° | 109.4° |
| O6 | P6 | O63 | 111.1° | 109.5° |
| P6 | O6 | C6 | 117.4° | 123.0° |
| P6 | O63 | HO63 | 109.5° | 114.0° |
| O6 | C6 | C5 | 108.7° | 109.5° |
| O6 | C6 | H61 | 109.7° | 109.5° |
| O6 | C6 | H62 | 109.9° | 109.5° |
| C5 | C6 | H61 | 109.7° | 109.5° |
| C5 | C6 | H62 | 109.9° | 109.4° |
| C6 | C5 | O5 | 108.4° | 109.5° |
| C6 | C5 | C4 | 110.3° | 109.5° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| H61 | C6 | H62 | 108.9° | 109.4° |
| O5 | C5 | C4 | 108.5° | 109.5° |
| O5 | C5 | H5 | 111.1° | 109.4° |
| C5 | O5 | HO5 | 109.5° | 113.9° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C5 | C4 | C3 | 110.7° | 109.5° |
| C5 | C4 | O4 | 110.6° | 109.4° |
| C5 | C4 | H4 | 107.1° | 109.5° |
| C3 | C4 | O4 | 107.1° | 109.5° |
| C3 | C4 | H4 | 110.6° | 109.5° |
| C4 | C3 | C2 | 110.7° | 109.4° |
| C4 | C3 | O3 | 109.9° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.4° |
| O4 | C4 | H4 | 110.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C2 | C3 | O3 | 109.1° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| C3 | C2 | N2 | 104.6° | 109.5° |
| C3 | C2 | C1 | 110.0° | 109.5° |
| C3 | C2 | H2 | 113.4° | 109.5° |
| O3 | C3 | H3 | 109.8° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| N2 | C2 | C1 | 112.6° | 109.5° |
| N2 | C2 | H2 | 110.8° | 109.4° |
| C2 | N2 | HN21 | 109.5° | 111.0° |
| C2 | N2 | HN22 | 109.4° | 111.0° |
| C1 | C2 | H2 | 105.6° | 109.4° |
| C2 | C1 | O1 | 117.1° | 109.5° |
| C2 | C1 | H11 | 107.0° | 109.4° |
| C2 | C1 | H12 | 105.3° | 109.4° |
| HN21 | N2 | HN22 | 109.4° | 111.0° |
| O1 | C1 | H11 | 107.0° | 109.5° |
| O1 | C1 | H12 | 105.2° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 113.9° |
| H11 | C1 | H12 | 115.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O61 | P6 | O62 | O6 | 115.8° | 120.0° |
| O61 | P6 | O62 | O63 | 123.2° | 120.0° |
| O61 | P6 | O6 | O63 | 121.1° | 120.0° |
| O61 | P6 | O63 | HO63 | 161.5° | 60.0° |
| O61 | P6 | O6 | C6 | 53.5° | 175.0° |
| HO61 | O61 | P6 | O62 | 112.6° | 60.0° |
| HO61 | O61 | P6 | O6 | 132.6° | 180.0° |
| HO61 | O61 | P6 | O63 | 11.2° | 60.0° |
| O62 | P6 | O6 | O63 | 121.3° | 120.0° |
| O62 | P6 | O63 | HO63 | 38.5° | 180.0° |
| O62 | P6 | O6 | C6 | 171.2° | 55.0° |
| O6 | P6 | O63 | HO63 | 79.4° | 60.0° |
| P6 | O6 | C6 | C5 | 167.8° | 180.0° |
| P6 | O6 | C6 | H61 | 47.8° | 60.0° |
| P6 | O6 | C6 | H62 | 71.9° | 60.0° |
| O63 | P6 | O6 | C6 | 67.5° | 65.0° |
| O6 | C6 | C5 | H61 | 120.0° | 120.1° |
| O6 | C6 | C5 | H62 | 120.3° | 120.0° |
| O6 | C6 | H61 | H62 | 120.3° | 120.0° |
| O6 | C6 | C5 | O5 | 61.4° | 65.0° |
| O6 | C6 | C5 | C4 | 57.3° | 175.0° |
| O6 | C6 | C5 | H5 | 177.4° | 55.0° |
| C5 | C6 | H61 | H62 | 120.3° | 119.9° |
| C6 | C5 | O5 | C4 | 119.8° | 120.0° |
| C6 | C5 | O5 | H5 | 120.1° | 120.0° |
| C6 | C5 | C4 | H5 | 120.2° | 120.1° |
| C6 | C5 | O5 | HO5 | 75.9° | 60.0° |
| C6 | C5 | C4 | C3 | 177.7° | 180.0° |
| C6 | C5 | C4 | O4 | 63.8° | 60.0° |
| C6 | C5 | C4 | H4 | 57.0° | 60.0° |
| H61 | C6 | C5 | O5 | 178.6° | 55.1° |
| H61 | C6 | C5 | C4 | 62.7° | 64.9° |
| H61 | C6 | C5 | H5 | 57.4° | 175.0° |
| H62 | C6 | C5 | O5 | 58.9° | 175.0° |
| H62 | C6 | C5 | C4 | 177.6° | 55.0° |
| H62 | C6 | C5 | H5 | 62.3° | 65.0° |
| O5 | C5 | C4 | H5 | 121.2° | 119.9° |
| O5 | C5 | C4 | C3 | 59.1° | 60.0° |
| O5 | C5 | C4 | O4 | 177.6° | 180.0° |
| O5 | C5 | C4 | H4 | 61.6° | 60.0° |
| C4 | C5 | O5 | HO5 | 164.3° | 60.0° |
| C5 | C4 | C3 | O4 | 120.6° | 120.0° |
| C5 | C4 | C3 | H4 | 118.6° | 120.0° |
| C5 | C4 | O4 | H4 | 118.6° | 120.0° |
| C5 | C4 | O4 | HO4 | 165.7° | 60.0° |
| C5 | C4 | C3 | C2 | 175.7° | 175.0° |
| C5 | C4 | C3 | O3 | 63.7° | 55.0° |
| C5 | C4 | C3 | H3 | 56.3° | 65.0° |
| H5 | C5 | O5 | HO5 | 44.2° | 179.9° |
| H5 | C5 | C4 | C3 | 62.2° | 59.9° |
| H5 | C5 | C4 | O4 | 56.3° | 60.1° |
| H5 | C5 | C4 | H4 | 177.1° | 179.9° |
| C3 | C4 | O4 | H4 | 120.7° | 120.0° |
| C3 | C4 | O4 | HO4 | 73.7° | 60.0° |
| C4 | C3 | C2 | O3 | 121.1° | 120.0° |
| C4 | C3 | C2 | H3 | 118.9° | 119.9° |
| C4 | C3 | O3 | H3 | 119.0° | 120.0° |
| C4 | C3 | O3 | HO3 | 176.7° | 60.0° |
| C4 | C3 | C2 | N2 | 157.3° | 60.0° |
| C4 | C3 | C2 | C1 | 81.6° | 180.0° |
| C4 | C3 | C2 | H2 | 36.4° | 60.0° |
| O4 | C4 | C3 | C2 | 63.7° | 55.0° |
| O4 | C4 | C3 | O3 | 56.9° | 65.0° |
| O4 | C4 | C3 | H3 | 176.9° | 175.0° |
| H4 | C4 | O4 | HO4 | 47.0° | 180.0° |
| H4 | C4 | C3 | C2 | 57.1° | 65.0° |
| H4 | C4 | C3 | O3 | 177.7° | 175.0° |
| H4 | C4 | C3 | H3 | 62.4° | 55.0° |
| C2 | C3 | O3 | H3 | 119.5° | 120.1° |
| C2 | C3 | O3 | HO3 | 55.1° | 59.9° |
| C3 | C2 | N2 | C1 | 119.4° | 120.0° |
| C3 | C2 | N2 | H2 | 122.6° | 120.0° |
| C3 | C2 | C1 | H2 | 122.7° | 120.0° |
| C3 | C2 | N2 | HN21 | 87.8° | 60.0° |
| C3 | C2 | N2 | HN22 | 152.2° | 63.9° |
| C3 | C2 | C1 | O1 | 170.4° | 175.0° |
| C3 | C2 | C1 | H11 | 69.6° | 54.9° |
| C3 | C2 | C1 | H12 | 54.0° | 65.0° |
| O3 | C3 | C2 | N2 | 81.6° | 179.9° |
| O3 | C3 | C2 | C1 | 39.5° | 60.0° |
| O3 | C3 | C2 | H2 | 157.5° | 59.9° |
| H3 | C3 | O3 | HO3 | 64.4° | 180.0° |
| H3 | C3 | C2 | N2 | 38.4° | 60.0° |
| H3 | C3 | C2 | C1 | 159.5° | 60.1° |
| H3 | C3 | C2 | H2 | 82.5° | 180.0° |
| N2 | C2 | C1 | H2 | 121.0° | 119.9° |
| C2 | N2 | HN21 | HN22 | 120.0° | 124.0° |
| N2 | C2 | C1 | O1 | 54.2° | 64.9° |
| N2 | C2 | C1 | H11 | 174.1° | 175.0° |
| N2 | C2 | C1 | H12 | 62.3° | 55.1° |
| C1 | C2 | N2 | HN21 | 152.8° | 60.0° |
| C1 | C2 | N2 | HN22 | 32.8° | 176.0° |
| C2 | C1 | O1 | H11 | 120.0° | 120.0° |
| C2 | C1 | O1 | H12 | 116.5° | 120.0° |
| C2 | C1 | H11 | H12 | 116.9° | 119.9° |
| C2 | C1 | O1 | HO1 | 29.8° | 180.0° |
| H2 | C2 | N2 | HN21 | 34.8° | 179.9° |
| H2 | C2 | N2 | HN22 | 85.2° | 56.1° |
| H2 | C2 | C1 | O1 | 66.9° | 55.0° |
| H2 | C2 | C1 | H11 | 53.1° | 65.1° |
| H2 | C2 | C1 | H12 | 176.7° | 175.0° |
| O1 | C1 | H11 | H12 | 116.9° | 120.0° |
| H11 | C1 | O1 | HO1 | 149.7° | 59.9° |
| H12 | C1 | O1 | HO1 | 86.7° | 60.1° |
