MDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.37Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | C10 | sing | 1.35Å | 1.33Å | |
| N2 | C11 | sing | 1.46Å | 1.47Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | C7 | sing | 1.43Å | 1.44Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.40Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | O8 | doub | 1.21Å | 1.24Å | |
| C8 | O9 | sing | 1.34Å | 1.34Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C10 | O10 | doub | 1.22Å | 1.24Å | |
| C10 | O11 | sing | 1.35Å | 1.23Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 115.9° | 109.5° |
| O1 | C1 | O5 | 113.5° | 109.5° |
| O1 | C1 | H1 | 100.9° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | O5 | 106.5° | 109.4° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C1 | C2 | N2 | 105.3° | 109.5° |
| C1 | C2 | C3 | 91.4° | 109.2° |
| C1 | C2 | H2 | 129.0° | 109.5° |
| O5 | C1 | H1 | 111.3° | 109.5° |
| C1 | O5 | C5 | 103.6° | 114.1° |
| N2 | C2 | C3 | 124.9° | 109.5° |
| N2 | C2 | H2 | 98.3° | 109.6° |
| C2 | N2 | C10 | 130.9° | 120.0° |
| C2 | N2 | C11 | 113.4° | 120.0° |
| C3 | C2 | H2 | 110.9° | 109.6° |
| C2 | C3 | O3 | 112.3° | 109.6° |
| C2 | C3 | C4 | 108.8° | 109.1° |
| C2 | C3 | H3 | 108.0° | 109.6° |
| C10 | N2 | C11 | 105.3° | 120.0° |
| N2 | C10 | O10 | 121.6° | 120.0° |
| N2 | C10 | O11 | 118.4° | 120.0° |
| N2 | C11 | H111 | 109.5° | 109.5° |
| N2 | C11 | H112 | 109.4° | 109.5° |
| N2 | C11 | H113 | 109.4° | 109.5° |
| O3 | C3 | C4 | 109.4° | 109.5° |
| O3 | C3 | H3 | 107.4° | 109.5° |
| C3 | O3 | C7 | 114.2° | 114.0° |
| C4 | C3 | H3 | 111.0° | 109.6° |
| C3 | C4 | O4 | 106.7° | 109.6° |
| C3 | C4 | C5 | 112.7° | 109.2° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| O3 | C7 | C8 | 108.8° | 109.5° |
| O3 | C7 | C9 | 110.7° | 109.5° |
| O3 | C7 | H7 | 112.0° | 109.4° |
| O4 | C4 | C5 | 109.0° | 109.5° |
| O4 | C4 | H4 | 112.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 106.7° | 109.6° |
| C4 | C5 | O5 | 108.0° | 109.4° |
| C4 | C5 | C6 | 120.4° | 109.5° |
| C4 | C5 | H5 | 102.0° | 109.5° |
| O5 | C5 | C6 | 106.6° | 109.5° |
| O5 | C5 | H5 | 116.9° | 109.4° |
| C6 | C5 | H5 | 103.5° | 109.5° |
| C5 | C6 | O6 | 106.6° | 109.5° |
| C5 | C6 | H61 | 110.4° | 109.5° |
| C5 | C6 | H62 | 110.4° | 109.5° |
| O6 | C6 | H61 | 110.5° | 109.4° |
| O6 | C6 | H62 | 110.4° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 108.5° | 109.5° |
| C8 | C7 | C9 | 116.7° | 109.5° |
| C8 | C7 | H7 | 105.3° | 109.5° |
| C7 | C8 | O8 | 122.8° | 120.0° |
| C7 | C8 | O9 | 113.1° | 120.0° |
| C9 | C7 | H7 | 103.2° | 109.5° |
| C7 | C9 | H91 | 109.5° | 109.5° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| C7 | C9 | H93 | 109.5° | 109.5° |
| O8 | C8 | O9 | 115.1° | 120.0° |
| C8 | O9 | HO9 | 109.5° | 117.0° |
| H91 | C9 | H92 | 109.4° | 109.4° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.4° |
| O10 | C10 | O11 | 115.6° | 120.0° |
| C10 | O11 | H11 | 109.5° | 117.0° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 127.3° | 120.0° |
| O1 | C1 | C2 | H1 | 112.7° | 120.0° |
| O1 | C1 | O5 | H1 | 113.0° | 120.1° |
| O1 | C1 | C2 | N2 | 17.9° | 62.5° |
| O1 | C1 | C2 | C3 | 144.8° | 177.6° |
| O1 | C1 | C2 | H2 | 96.6° | 57.7° |
| O1 | C1 | O5 | C5 | 142.4° | 178.9° |
| C2 | C1 | O5 | H1 | 118.3° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | N2 | C3 | 102.8° | 119.7° |
| C1 | C2 | N2 | H2 | 134.4° | 120.2° |
| C1 | C2 | C3 | H2 | 133.1° | 119.9° |
| C1 | C2 | N2 | C10 | 151.6° | 60.0° |
| C1 | C2 | N2 | C11 | 69.3° | 120.0° |
| C1 | C2 | C3 | O3 | 174.7° | 176.8° |
| C1 | C2 | C3 | C4 | 64.0° | 57.0° |
| C1 | C2 | C3 | H3 | 56.5° | 63.0° |
| C2 | C1 | O5 | C5 | 88.9° | 61.1° |
| O5 | C1 | O1 | HO1 | 56.2° | 60.0° |
| O5 | C1 | C2 | N2 | 145.3° | 177.5° |
| O5 | C1 | C2 | C3 | 87.9° | 57.6° |
| O5 | C1 | C2 | H2 | 30.8° | 62.3° |
| C1 | O5 | C5 | C4 | 58.3° | 61.1° |
| C1 | O5 | C5 | C6 | 171.0° | 178.8° |
| C1 | O5 | C5 | H5 | 55.9° | 58.9° |
| H1 | C1 | O1 | HO1 | 62.9° | 60.0° |
| H1 | C1 | C2 | N2 | 94.8° | 57.5° |
| H1 | C1 | C2 | C3 | 32.1° | 62.4° |
| H1 | C1 | C2 | H2 | 150.7° | 177.7° |
| H1 | C1 | O5 | C5 | 29.4° | 58.8° |
| N2 | C2 | C3 | H2 | 117.1° | 120.2° |
| C2 | N2 | C10 | C11 | 141.5° | 180.0° |
| N2 | C2 | C3 | O3 | 65.0° | 63.3° |
| N2 | C2 | C3 | C4 | 173.8° | 176.9° |
| N2 | C2 | C3 | H3 | 53.3° | 56.9° |
| C2 | N2 | C10 | O10 | 170.2° | 0.0° |
| C2 | N2 | C10 | O11 | 34.2° | 180.0° |
| C2 | N2 | C11 | H111 | 180.0° | 90.0° |
| C2 | N2 | C11 | H112 | 60.0° | 149.9° |
| C2 | N2 | C11 | H113 | 60.0° | 30.0° |
| C3 | C2 | N2 | C10 | 105.6° | 59.7° |
| C3 | C2 | N2 | C11 | 33.5° | 120.3° |
| C2 | C3 | O3 | C4 | 120.9° | 119.6° |
| C2 | C3 | O3 | H3 | 118.6° | 120.2° |
| C2 | C3 | C4 | H3 | 118.7° | 119.9° |
| C2 | C3 | O3 | C7 | 98.1° | 113.7° |
| C2 | C3 | C4 | O4 | 171.2° | 176.9° |
| C2 | C3 | C4 | C5 | 51.6° | 57.0° |
| C2 | C3 | C4 | H4 | 66.7° | 63.0° |
| H2 | C2 | N2 | C10 | 17.2° | 179.9° |
| H2 | C2 | N2 | C11 | 156.3° | 0.1° |
| H2 | C2 | C3 | O3 | 52.2° | 56.9° |
| H2 | C2 | C3 | C4 | 69.1° | 62.9° |
| H2 | C2 | C3 | H3 | 170.4° | 177.1° |
| N2 | C10 | O10 | O11 | 156.2° | 180.0° |
| N2 | C10 | O11 | H11 | 157.0° | 179.9° |
| C10 | N2 | C11 | H111 | 30.9° | 90.0° |
| C10 | N2 | C11 | H112 | 89.1° | 30.1° |
| C10 | N2 | C11 | H113 | 150.9° | 150.0° |
| C11 | N2 | C10 | O10 | 28.7° | 180.0° |
| C11 | N2 | C10 | O11 | 175.7° | 0.0° |
| N2 | C11 | H111 | H112 | 120.0° | 120.1° |
| N2 | C11 | H111 | H113 | 120.0° | 120.0° |
| N2 | C11 | H112 | H113 | 120.0° | 119.9° |
| O3 | C3 | C4 | H3 | 118.3° | 120.2° |
| O3 | C3 | C4 | O4 | 65.7° | 63.2° |
| O3 | C3 | C4 | C5 | 174.6° | 176.9° |
| O3 | C3 | C4 | H4 | 56.4° | 56.9° |
| C3 | O3 | C7 | C8 | 134.7° | 152.6° |
| C3 | O3 | C7 | C9 | 95.8° | 87.3° |
| C3 | O3 | C7 | H7 | 18.7° | 32.6° |
| C4 | C3 | O3 | C7 | 140.9° | 126.7° |
| C3 | C4 | O4 | C5 | 122.0° | 119.7° |
| C3 | C4 | O4 | H4 | 119.7° | 120.1° |
| C3 | C4 | C5 | H4 | 119.7° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 44.0° | 57.5° |
| C3 | C4 | C5 | C6 | 166.6° | 177.6° |
| C3 | C4 | C5 | H5 | 79.8° | 62.4° |
| H3 | C3 | O3 | C7 | 20.4° | 6.5° |
| H3 | C3 | C4 | O4 | 52.6° | 56.9° |
| H3 | C3 | C4 | C5 | 67.1° | 63.0° |
| H3 | C3 | C4 | H4 | 174.7° | 177.1° |
| O3 | C7 | C8 | C9 | 126.1° | 120.0° |
| O3 | C7 | C8 | H7 | 120.2° | 120.0° |
| O3 | C7 | C9 | H7 | 119.9° | 119.9° |
| O3 | C7 | C8 | O8 | 141.7° | 5.0° |
| O3 | C7 | C8 | O9 | 3.5° | 175.0° |
| O3 | C7 | C9 | H91 | 180.0° | 175.1° |
| O3 | C7 | C9 | H92 | 60.0° | 55.2° |
| O3 | C7 | C9 | H93 | 60.0° | 64.8° |
| O4 | C4 | C5 | H4 | 122.1° | 120.2° |
| O4 | C4 | C5 | O5 | 162.3° | 177.5° |
| O4 | C4 | C5 | C6 | 75.2° | 62.5° |
| O4 | C4 | C5 | H5 | 38.5° | 57.6° |
| C5 | C4 | O4 | HO4 | 58.0° | 60.3° |
| C4 | C5 | O5 | C6 | 130.7° | 120.0° |
| C4 | C5 | O5 | H5 | 114.2° | 120.0° |
| C4 | C5 | C6 | H5 | 112.8° | 120.0° |
| C4 | C5 | C6 | O6 | 69.0° | 175.0° |
| C4 | C5 | C6 | H61 | 171.0° | 55.0° |
| C4 | C5 | C6 | H62 | 51.0° | 65.1° |
| H4 | C4 | O4 | HO4 | 60.3° | 59.9° |
| H4 | C4 | C5 | O5 | 75.7° | 62.3° |
| H4 | C4 | C5 | C6 | 46.9° | 57.7° |
| H4 | C4 | C5 | H5 | 160.6° | 177.7° |
| O5 | C5 | C6 | H5 | 123.9° | 120.0° |
| O5 | C5 | C6 | O6 | 54.3° | 65.0° |
| O5 | C5 | C6 | H61 | 65.7° | 175.0° |
| O5 | C5 | C6 | H62 | 174.3° | 54.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 121.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 178.2° | 54.9° |
| H5 | C5 | C6 | H61 | 58.2° | 65.1° |
| H5 | C5 | C6 | H62 | 61.8° | 174.9° |
| O6 | C6 | H61 | H62 | 121.2° | 119.9° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
| C8 | C7 | C9 | H7 | 114.9° | 120.0° |
| C7 | C8 | O8 | O9 | 144.7° | 180.0° |
| C7 | C8 | O9 | HO9 | 148.1° | 180.0° |
| C8 | C7 | C9 | H91 | 54.8° | 55.1° |
| C8 | C7 | C9 | H92 | 65.1° | 64.9° |
| C8 | C7 | C9 | H93 | 174.8° | 175.1° |
| C9 | C7 | C8 | O8 | 15.6° | 115.0° |
| C9 | C7 | C8 | O9 | 129.7° | 65.0° |
| C7 | C9 | H91 | H92 | 120.0° | 120.0° |
| C7 | C9 | H91 | H93 | 120.0° | 120.1° |
| C7 | C9 | H92 | H93 | 120.0° | 120.0° |
| H7 | C7 | C8 | O8 | 98.1° | 125.0° |
| H7 | C7 | C8 | O9 | 116.6° | 55.0° |
| H7 | C7 | C9 | H91 | 60.1° | 64.9° |
| H7 | C7 | C9 | H92 | 180.0° | 175.1° |
| H7 | C7 | C9 | H93 | 60.0° | 55.1° |
| O8 | C8 | O9 | HO9 | 0.0° | 0.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
| O10 | C10 | O11 | H11 | 0.0° | 0.0° |
| H111 | C11 | H112 | H113 | 120.0° | 119.9° |
