MNA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | O1A | doub | 1.21Å | 1.23Å | |
| C1 | O1B | sing | 1.34Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | O6 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H32 | sing | 1.09Å | 1.08Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.09Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | N5 | sing | 1.46Å | 1.47Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | O7 | sing | 1.43Å | 1.40Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | O8 | sing | 1.43Å | 1.40Å | |
| C8 | H8 | sing | 1.09Å | 1.09Å | |
| C9 | O9 | sing | 1.43Å | 1.39Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N5 | sing | 1.35Å | 1.33Å | |
| C10 | O10 | doub | 1.21Å | 1.22Å | |
| C11 | H111 | sing | 1.09Å | 1.08Å | |
| C11 | H113 | sing | 1.09Å | 1.09Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | O2 | sing | 1.43Å | 1.43Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å | |
| N5 | HN5 | sing | 0.97Å | 0.97Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.97Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1A | 119.9° | 120.0° |
| C2 | C1 | O1B | 120.4° | 120.0° |
| C1 | C2 | C3 | 112.4° | 109.4° |
| C1 | C2 | O2 | 106.2° | 109.4° |
| C1 | C2 | O6 | 113.6° | 109.4° |
| O1A | C1 | O1B | 119.7° | 120.0° |
| C1 | O1B | HO1B | 120.4° | 120.0° |
| C3 | C2 | O2 | 110.1° | 109.4° |
| C3 | C2 | O6 | 106.5° | 109.8° |
| C2 | C3 | C4 | 112.8° | 109.0° |
| C2 | C3 | H32 | 108.9° | 109.5° |
| C2 | C3 | H31 | 110.1° | 109.6° |
| O2 | C2 | O6 | 108.0° | 109.5° |
| C2 | O2 | C12 | 116.2° | 106.8° |
| C2 | O6 | C6 | 118.3° | 107.6° |
| C4 | C3 | H32 | 109.9° | 109.5° |
| C4 | C3 | H31 | 109.1° | 109.6° |
| C3 | C4 | C5 | 109.4° | 108.7° |
| C3 | C4 | O4 | 113.2° | 109.6° |
| C3 | C4 | H4 | 107.6° | 109.5° |
| H32 | C3 | H31 | 105.8° | 109.7° |
| C5 | C4 | O4 | 109.5° | 109.8° |
| C5 | C4 | H4 | 109.5° | 109.6° |
| C4 | C5 | C6 | 108.1° | 109.0° |
| C4 | C5 | N5 | 106.9° | 109.6° |
| C4 | C5 | H5 | 107.7° | 109.6° |
| O4 | C4 | H4 | 107.6° | 109.5° |
| C4 | O4 | HO4 | 108.3° | 106.9° |
| C6 | C5 | N5 | 111.8° | 109.6° |
| C6 | C5 | H5 | 111.3° | 109.5° |
| C5 | C6 | C7 | 116.1° | 109.5° |
| C5 | C6 | O6 | 111.2° | 109.8° |
| C5 | C6 | H6 | 108.9° | 109.4° |
| N5 | C5 | H5 | 110.9° | 109.5° |
| C5 | N5 | C10 | 122.6° | 120.0° |
| C5 | N5 | HN5 | 117.1° | 120.0° |
| C7 | C6 | O6 | 104.7° | 109.4° |
| C7 | C6 | H6 | 106.8° | 109.4° |
| C6 | C7 | C8 | 112.0° | 109.5° |
| C6 | C7 | O7 | 105.5° | 109.5° |
| C6 | C7 | H7 | 109.8° | 109.5° |
| O6 | C6 | H6 | 108.8° | 109.4° |
| C8 | C7 | O7 | 108.8° | 109.4° |
| C8 | C7 | H7 | 111.0° | 109.5° |
| C7 | C8 | C9 | 110.3° | 109.4° |
| C7 | C8 | O8 | 112.0° | 109.4° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| O7 | C7 | H7 | 109.6° | 109.5° |
| C7 | O7 | HO7 | 104.1° | 106.8° |
| C9 | C8 | O8 | 108.2° | 109.4° |
| C9 | C8 | H8 | 110.0° | 109.5° |
| C8 | C9 | O9 | 107.3° | 109.5° |
| C8 | C9 | H92 | 109.9° | 109.4° |
| C8 | C9 | H91 | 109.2° | 109.5° |
| O8 | C8 | H8 | 107.3° | 109.5° |
| C8 | O8 | HO8 | 108.2° | 106.9° |
| O9 | C9 | H92 | 108.3° | 109.4° |
| O9 | C9 | H91 | 112.3° | 109.5° |
| C9 | O9 | HO9 | 105.0° | 106.8° |
| H92 | C9 | H91 | 109.8° | 109.5° |
| C11 | C10 | N5 | 119.6° | 120.0° |
| C11 | C10 | O10 | 121.1° | 120.0° |
| C10 | C11 | H111 | 110.5° | 109.5° |
| C10 | C11 | H113 | 109.9° | 109.5° |
| C10 | C11 | H112 | 110.8° | 109.5° |
| N5 | C10 | O10 | 119.2° | 120.0° |
| C10 | N5 | HN5 | 120.4° | 120.0° |
| H111 | C11 | H113 | 108.2° | 109.5° |
| H111 | C11 | H112 | 108.2° | 109.5° |
| H113 | C11 | H112 | 109.3° | 109.5° |
| O2 | C12 | H121 | 116.2° | 109.5° |
| O2 | C12 | H122 | 109.8° | 109.5° |
| O2 | C12 | H123 | 109.8° | 109.5° |
| H121 | C12 | H122 | 109.8° | 109.4° |
| H121 | C12 | H123 | 109.8° | 109.4° |
| H122 | C12 | H123 | 100.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1A | O1B | 179.8° | 179.9° |
| C1 | C2 | C3 | O2 | 118.2° | 119.8° |
| C1 | C2 | C3 | O6 | 125.0° | 120.1° |
| C1 | C2 | O2 | O6 | 122.1° | 119.8° |
| C1 | C2 | C3 | C4 | 71.0° | 58.9° |
| C1 | C2 | C3 | H32 | 51.3° | 178.7° |
| C1 | C2 | C3 | H31 | 166.9° | 61.0° |
| C1 | C2 | O6 | C6 | 69.0° | 52.5° |
| C1 | C2 | O2 | C12 | 60.2° | 62.8° |
| C2 | C1 | O1B | HO1B | 179.9° | 180.0° |
| O1A | C1 | C2 | C3 | 52.6° | 143.5° |
| O1A | C1 | C2 | O2 | 67.9° | 96.8° |
| O1A | C1 | C2 | O6 | 173.6° | 23.1° |
| O1A | C1 | O1B | HO1B | 0.3° | 0.1° |
| O1B | C1 | C2 | C3 | 127.6° | 36.5° |
| O1B | C1 | C2 | O2 | 111.9° | 83.3° |
| O1B | C1 | C2 | O6 | 6.6° | 156.8° |
| C3 | C2 | O2 | O6 | 115.9° | 120.4° |
| C2 | C3 | C4 | H32 | 121.7° | 119.7° |
| C2 | C3 | C4 | H31 | 122.6° | 119.9° |
| C2 | C3 | H32 | H31 | 118.3° | 120.3° |
| C2 | C3 | C4 | C5 | 57.7° | 53.7° |
| C2 | C3 | C4 | O4 | 179.9° | 173.7° |
| C2 | C3 | C4 | H4 | 61.2° | 66.1° |
| C3 | C2 | O6 | C6 | 55.3° | 67.6° |
| C3 | C2 | O2 | C12 | 177.8° | 177.4° |
| O2 | C2 | C3 | C4 | 170.7° | 178.7° |
| O2 | C2 | C3 | H32 | 66.9° | 61.6° |
| O2 | C2 | C3 | H31 | 48.6° | 58.7° |
| O2 | C2 | O6 | C6 | 173.5° | 172.3° |
| C2 | O2 | C12 | H121 | 180.0° | 174.4° |
| C2 | O2 | C12 | H122 | 54.7° | 54.4° |
| C2 | O2 | C12 | H123 | 54.7° | 65.6° |
| O6 | C2 | C3 | C4 | 53.9° | 61.2° |
| O6 | C2 | C3 | H32 | 176.2° | 58.6° |
| O6 | C2 | C3 | H31 | 68.2° | 178.9° |
| C2 | O6 | C6 | C5 | 58.6° | 67.6° |
| C2 | O6 | C6 | C7 | 175.3° | 172.3° |
| C2 | O6 | C6 | H6 | 61.4° | 52.5° |
| O6 | C2 | O2 | C12 | 61.9° | 57.0° |
| C4 | C3 | H32 | H31 | 117.7° | 120.3° |
| C3 | C4 | C5 | O4 | 124.6° | 119.9° |
| C3 | C4 | C5 | H4 | 117.7° | 119.7° |
| C3 | C4 | O4 | H4 | 118.8° | 120.2° |
| C3 | C4 | C5 | C6 | 55.9° | 53.7° |
| C3 | C4 | C5 | N5 | 176.4° | 173.7° |
| C3 | C4 | C5 | H5 | 64.4° | 66.2° |
| C3 | C4 | O4 | HO4 | 76.0° | 59.9° |
| H32 | C3 | C4 | C5 | 179.4° | 66.1° |
| H32 | C3 | C4 | O4 | 58.2° | 53.9° |
| H32 | C3 | C4 | H4 | 60.6° | 174.1° |
| H31 | C3 | C4 | C5 | 64.9° | 173.6° |
| H31 | C3 | C4 | O4 | 57.5° | 66.4° |
| H31 | C3 | C4 | H4 | 176.2° | 53.8° |
| C5 | C4 | O4 | H4 | 118.9° | 120.4° |
| C4 | C5 | C6 | N5 | 117.3° | 120.0° |
| C4 | C5 | C6 | H5 | 118.1° | 119.9° |
| C4 | C5 | N5 | H5 | 117.2° | 120.2° |
| C4 | C5 | C6 | C7 | 174.5° | 178.7° |
| C4 | C5 | C6 | O6 | 55.0° | 61.2° |
| C4 | C5 | C6 | H6 | 64.9° | 58.9° |
| C4 | C5 | N5 | C10 | 150.2° | 90.0° |
| C4 | C5 | N5 | HN5 | 28.9° | 90.0° |
| C5 | C4 | O4 | HO4 | 161.7° | 179.3° |
| O4 | C4 | C5 | C6 | 179.5° | 173.6° |
| O4 | C4 | C5 | N5 | 59.0° | 66.4° |
| O4 | C4 | C5 | H5 | 60.2° | 53.7° |
| H4 | C4 | C5 | C6 | 61.8° | 66.0° |
| H4 | C4 | C5 | N5 | 58.7° | 53.9° |
| H4 | C4 | C5 | H5 | 177.9° | 174.1° |
| H4 | C4 | O4 | HO4 | 42.8° | 60.3° |
| C6 | C5 | N5 | H5 | 124.8° | 120.2° |
| C5 | C6 | C7 | O6 | 123.0° | 120.3° |
| C5 | C6 | C7 | H6 | 121.7° | 119.9° |
| C5 | C6 | O6 | H6 | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 179.0° | 180.0° |
| C5 | C6 | C7 | O7 | 60.8° | 60.0° |
| C5 | C6 | C7 | H7 | 57.2° | 60.0° |
| C6 | C5 | N5 | C10 | 91.8° | 150.4° |
| C6 | C5 | N5 | HN5 | 89.2° | 29.6° |
| N5 | C5 | C6 | C7 | 68.2° | 58.7° |
| N5 | C5 | C6 | O6 | 172.3° | 178.8° |
| N5 | C5 | C6 | H6 | 52.4° | 61.1° |
| C5 | N5 | C10 | C11 | 177.9° | 180.0° |
| C5 | N5 | C10 | HN5 | 179.0° | 180.0° |
| C5 | N5 | C10 | O10 | 4.9° | 0.0° |
| H5 | C5 | C6 | C7 | 56.4° | 61.4° |
| H5 | C5 | C6 | O6 | 63.1° | 58.6° |
| H5 | C5 | C6 | H6 | 176.9° | 178.7° |
| H5 | C5 | N5 | C10 | 33.0° | 30.2° |
| H5 | C5 | N5 | HN5 | 146.0° | 149.8° |
| C7 | C6 | O6 | H6 | 113.9° | 119.8° |
| C6 | C7 | C8 | O7 | 116.2° | 120.0° |
| C6 | C7 | C8 | H7 | 123.1° | 120.1° |
| C6 | C7 | O7 | H7 | 118.1° | 120.0° |
| C6 | C7 | C8 | C9 | 175.4° | 180.0° |
| C6 | C7 | C8 | O8 | 54.9° | 60.1° |
| C6 | C7 | C8 | H8 | 63.7° | 60.0° |
| C6 | C7 | O7 | HO7 | 28.5° | 59.9° |
| O6 | C6 | C7 | C8 | 56.0° | 59.6° |
| O6 | C6 | C7 | O7 | 62.2° | 60.3° |
| O6 | C6 | C7 | H7 | 179.9° | 179.7° |
| H6 | C6 | C7 | C8 | 59.3° | 60.2° |
| H6 | C6 | C7 | O7 | 177.5° | 179.9° |
| H6 | C6 | C7 | H7 | 64.5° | 59.9° |
| C8 | C7 | O7 | H7 | 121.6° | 120.0° |
| C7 | C8 | C9 | O8 | 122.8° | 119.9° |
| C7 | C8 | C9 | H8 | 120.2° | 120.1° |
| C7 | C8 | O8 | H8 | 119.6° | 120.1° |
| C7 | C8 | C9 | O9 | 163.5° | 180.0° |
| C7 | C8 | C9 | H92 | 45.9° | 60.1° |
| C7 | C8 | C9 | H91 | 74.5° | 59.9° |
| C8 | C7 | O7 | HO7 | 91.8° | 60.0° |
| C7 | C8 | O8 | HO8 | 137.3° | 60.0° |
| O7 | C7 | C8 | C9 | 68.4° | 60.1° |
| O7 | C7 | C8 | O8 | 171.1° | 180.0° |
| O7 | C7 | C8 | H8 | 52.5° | 60.0° |
| H7 | C7 | C8 | C9 | 52.3° | 59.9° |
| H7 | C7 | C8 | O8 | 68.3° | 60.0° |
| H7 | C7 | C8 | H8 | 173.1° | 180.0° |
| H7 | C7 | O7 | HO7 | 146.7° | 180.0° |
| C9 | C8 | O8 | H8 | 118.7° | 120.0° |
| C8 | C9 | O9 | H92 | 118.6° | 119.9° |
| C8 | C9 | O9 | H91 | 120.0° | 120.1° |
| C8 | C9 | H92 | H91 | 120.1° | 120.0° |
| C9 | C8 | O8 | HO8 | 15.5° | 60.0° |
| C8 | C9 | O9 | HO9 | 68.8° | 179.9° |
| O8 | C8 | C9 | O9 | 40.7° | 60.1° |
| O8 | C8 | C9 | H92 | 76.9° | 180.0° |
| O8 | C8 | C9 | H91 | 162.6° | 60.0° |
| H8 | C8 | C9 | O9 | 76.3° | 59.9° |
| H8 | C8 | C9 | H92 | 166.2° | 60.0° |
| H8 | C8 | C9 | H91 | 45.7° | 180.0° |
| H8 | C8 | O8 | HO8 | 103.1° | 180.0° |
| O9 | C9 | H92 | H91 | 123.0° | 120.0° |
| H92 | C9 | O9 | HO9 | 172.6° | 60.1° |
| H91 | C9 | O9 | HO9 | 51.2° | 59.9° |
| C11 | C10 | N5 | O10 | 177.2° | 180.0° |
| C10 | C11 | H111 | H113 | 120.4° | 120.0° |
| C10 | C11 | H111 | H112 | 121.4° | 120.0° |
| C10 | C11 | H113 | H112 | 121.8° | 120.0° |
| C11 | C10 | N5 | HN5 | 1.1° | 0.0° |
| N5 | C10 | C11 | H111 | 21.5° | 180.0° |
| N5 | C10 | C11 | H113 | 97.8° | 60.0° |
| N5 | C10 | C11 | H112 | 141.3° | 60.0° |
| O10 | C10 | C11 | H111 | 155.7° | 0.0° |
| O10 | C10 | C11 | H113 | 85.0° | 120.0° |
| O10 | C10 | C11 | H112 | 35.9° | 120.0° |
| O10 | C10 | N5 | HN5 | 176.1° | 180.0° |
| H111 | C11 | H113 | H112 | 117.5° | 120.0° |
| O2 | C12 | H121 | H122 | 125.3° | 120.0° |
| O2 | C12 | H121 | H123 | 125.3° | 120.0° |
| O2 | C12 | H122 | H123 | 115.5° | 120.0° |
| H121 | C12 | H122 | H123 | 115.6° | 120.0° |
