MZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.34Å | 1.36Å | |
| N1 | C1 | sing | 1.34Å | 1.35Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| O2 | C6 | doub | 1.21Å | 1.22Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.54Å | 1.35Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| O3 | C4 | doub | 1.21Å | 1.22Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O4 | C5 | sing | 1.43Å | 1.11Å | |
| C6 | N2 | sing | 1.34Å | 1.35Å | |
| C7 | C6 | sing | 1.51Å | 1.48Å | |
| C7 | C8 | sing | 1.54Å | 1.35Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | N2 | sing | 1.34Å | 1.36Å | |
| C9 | O5 | doub | 1.21Å | 1.22Å | |
| C10 | O4 | sing | 1.43Å | 1.11Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H101 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C1 | 109.5° | 114.5° |
| N1 | C4 | C3 | 108.3° | 109.2° |
| N1 | C4 | O3 | 126.3° | 125.4° |
| C4 | N1 | C5 | 125.4° | 122.8° |
| N1 | C1 | O1 | 126.0° | 125.4° |
| N1 | C1 | C2 | 108.3° | 109.2° |
| C1 | N1 | C5 | 125.2° | 122.7° |
| O1 | C1 | C2 | 125.7° | 125.4° |
| C1 | C2 | H2 | 110.1° | 110.5° |
| C1 | C2 | C3 | 107.0° | 103.6° |
| C1 | C2 | H9 | 110.1° | 110.6° |
| O2 | C6 | N2 | 126.0° | 125.4° |
| O2 | C6 | C7 | 125.7° | 125.4° |
| H2 | C2 | C3 | 110.1° | 110.6° |
| H2 | C2 | H9 | 109.5° | 110.6° |
| C10 | N2 | C6 | 125.2° | 122.8° |
| C10 | N2 | C9 | 125.4° | 122.7° |
| N2 | C10 | O4 | 136.2° | 109.5° |
| N2 | C10 | H10 | 102.4° | 109.5° |
| N2 | C10 | H10A | 102.4° | 109.5° |
| C2 | C3 | H3 | 110.1° | 110.6° |
| C2 | C3 | C4 | 106.9° | 103.6° |
| C3 | C2 | H9 | 110.1° | 110.8° |
| C2 | C3 | H101 | 110.1° | 110.6° |
| H3 | C3 | C4 | 110.1° | 110.6° |
| H3 | C3 | H101 | 109.5° | 110.5° |
| C3 | C4 | O3 | 125.4° | 125.4° |
| C4 | C3 | H101 | 110.1° | 110.7° |
| N1 | C5 | H5 | 102.4° | 109.5° |
| N1 | C5 | H5A | 102.4° | 109.5° |
| N1 | C5 | O4 | 136.2° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H5 | C5 | O4 | 102.5° | 109.5° |
| H5A | C5 | O4 | 102.4° | 109.5° |
| C5 | O4 | C10 | 180.0° | 114.0° |
| N2 | C6 | C7 | 108.3° | 109.2° |
| C6 | N2 | C9 | 109.5° | 114.5° |
| C6 | C7 | C8 | 107.0° | 103.5° |
| C6 | C7 | H7 | 110.1° | 110.6° |
| C6 | C7 | H11 | 110.1° | 110.6° |
| C8 | C7 | H7 | 110.1° | 110.6° |
| C7 | C8 | C9 | 106.9° | 103.6° |
| C7 | C8 | H8 | 110.1° | 110.6° |
| C8 | C7 | H11 | 110.1° | 110.7° |
| C7 | C8 | H12 | 110.1° | 110.5° |
| H7 | C7 | H11 | 109.5° | 110.6° |
| C9 | C8 | H8 | 110.1° | 110.8° |
| C8 | C9 | N2 | 108.3° | 109.2° |
| C8 | C9 | O5 | 125.4° | 125.4° |
| C9 | C8 | H12 | 110.1° | 110.4° |
| H8 | C8 | H12 | 109.5° | 110.7° |
| N2 | C9 | O5 | 126.3° | 125.4° |
| O4 | C10 | H10 | 102.4° | 109.5° |
| O4 | C10 | H10A | 102.4° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C1 | C5 | 179.7° | 179.7° |
| C4 | N1 | C1 | O1 | 180.0° | 180.0° |
| C4 | N1 | C1 | C2 | 0.3° | 0.0° |
| N1 | C4 | C3 | C2 | 0.2° | 0.0° |
| N1 | C4 | C3 | H3 | 119.4° | 118.5° |
| N1 | C4 | C3 | O3 | 179.7° | 180.0° |
| C4 | N1 | C5 | H5 | 40.2° | 134.3° |
| C4 | N1 | C5 | H5A | 153.6° | 14.4° |
| C4 | N1 | C5 | O4 | 83.1° | 105.6° |
| N1 | C4 | C3 | H101 | 119.8° | 118.6° |
| N1 | C1 | O1 | C2 | 179.7° | 180.0° |
| N1 | C1 | C2 | H2 | 119.5° | 118.5° |
| N1 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | N1 | C4 | C3 | 0.3° | 0.0° |
| C1 | N1 | C4 | O3 | 180.0° | 180.0° |
| C1 | N1 | C5 | H5 | 139.5° | 46.0° |
| C1 | N1 | C5 | H5A | 26.0° | 165.9° |
| C1 | N1 | C5 | O4 | 97.2° | 74.1° |
| N1 | C1 | C2 | H9 | 119.7° | 118.7° |
| O1 | C1 | C2 | H2 | 60.2° | 61.5° |
| O1 | C1 | C2 | C3 | 179.8° | 180.0° |
| O1 | C1 | N1 | C5 | 0.3° | 0.3° |
| O1 | C1 | C2 | H9 | 60.6° | 61.3° |
| C1 | C2 | H2 | C3 | 117.7° | 114.1° |
| C1 | C2 | H2 | H9 | 121.2° | 122.8° |
| C1 | C2 | C3 | H9 | 119.6° | 118.6° |
| C1 | C2 | C3 | H3 | 119.5° | 118.5° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | N1 | C5 | 180.0° | 179.7° |
| C1 | C2 | C3 | H101 | 119.7° | 118.6° |
| O2 | C6 | N2 | C10 | 0.3° | 0.1° |
| O2 | C6 | N2 | C7 | 179.7° | 179.9° |
| O2 | C6 | C7 | C8 | 179.8° | 179.9° |
| O2 | C6 | C7 | H7 | 60.2° | 61.4° |
| O2 | C6 | N2 | C9 | 180.0° | 179.8° |
| O2 | C6 | C7 | H11 | 60.6° | 61.5° |
| H2 | C2 | C3 | H9 | 120.8° | 123.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| H2 | C2 | C3 | C4 | 119.7° | 118.5° |
| H2 | C2 | C3 | H101 | 120.7° | 122.9° |
| N2 | C10 | O4 | C5 | 15.0° | 80.2° |
| C10 | N2 | C6 | C9 | 179.7° | 179.7° |
| C10 | N2 | C6 | C7 | 180.0° | 180.0° |
| C10 | N2 | C9 | C8 | 180.0° | 179.9° |
| C10 | N2 | C9 | O5 | 0.3° | 0.2° |
| N2 | C10 | O4 | H10 | 123.3° | 120.0° |
| N2 | C10 | O4 | H10A | 123.2° | 120.0° |
| N2 | C10 | H10 | H10A | 108.2° | 120.0° |
| C2 | C3 | H3 | C4 | 117.6° | 114.2° |
| C2 | C3 | H3 | H101 | 121.2° | 122.8° |
| C2 | C3 | C4 | H101 | 119.6° | 118.5° |
| C2 | C3 | C4 | O3 | 179.9° | 179.9° |
| H3 | C3 | C4 | H101 | 120.8° | 122.9° |
| H3 | C3 | C4 | O3 | 60.4° | 61.5° |
| H3 | C3 | C2 | H9 | 120.9° | 122.9° |
| C3 | C4 | N1 | C5 | 180.0° | 179.7° |
| C4 | C3 | C2 | H9 | 119.6° | 118.5° |
| O3 | C4 | N1 | C5 | 0.3° | 0.3° |
| O3 | C4 | C3 | H101 | 60.5° | 61.4° |
| N1 | C5 | H5 | H5A | 108.2° | 119.9° |
| N1 | C5 | H5 | O4 | 143.6° | 120.1° |
| N1 | C5 | H5A | O4 | 143.6° | 120.0° |
| N1 | C5 | O4 | C10 | 165.0° | 80.3° |
| H5 | C5 | H5A | O4 | 108.2° | 120.0° |
| H5 | C5 | O4 | C10 | 71.7° | 159.7° |
| H5A | C5 | O4 | C10 | 41.7° | 39.7° |
| C5 | O4 | C10 | H10 | 108.3° | 159.8° |
| C5 | O4 | C10 | H10A | 138.3° | 39.8° |
| N2 | C6 | C7 | C8 | 0.1° | 0.0° |
| N2 | C6 | C7 | H7 | 119.5° | 118.5° |
| C6 | N2 | C9 | C8 | 0.3° | 0.5° |
| C6 | N2 | C9 | O5 | 180.0° | 179.9° |
| C6 | N2 | C10 | O4 | 97.2° | 105.9° |
| C6 | N2 | C10 | H10 | 139.5° | 134.1° |
| C6 | N2 | C10 | H10A | 26.0° | 14.1° |
| N2 | C6 | C7 | H11 | 119.7° | 118.6° |
| C6 | C7 | C8 | H7 | 119.6° | 118.5° |
| C6 | C7 | C8 | H11 | 119.6° | 118.5° |
| C6 | C7 | H7 | H11 | 121.2° | 122.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.3° |
| C6 | C7 | C8 | H8 | 119.5° | 118.5° |
| C7 | C6 | N2 | C9 | 0.3° | 0.3° |
| C6 | C7 | C8 | H12 | 119.7° | 118.5° |
| C8 | C7 | H7 | H11 | 121.1° | 123.0° |
| C7 | C8 | C9 | H8 | 119.6° | 118.7° |
| C7 | C8 | C9 | H12 | 119.6° | 118.4° |
| C7 | C8 | H8 | H12 | 121.2° | 122.9° |
| C7 | C8 | C9 | N2 | 0.2° | 0.4° |
| C7 | C8 | C9 | O5 | 179.9° | 179.9° |
| H7 | C7 | C8 | C9 | 119.7° | 118.7° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| H7 | C7 | C8 | H12 | 120.7° | 123.0° |
| C9 | C8 | H8 | H12 | 121.2° | 122.9° |
| C8 | C9 | N2 | O5 | 179.7° | 179.6° |
| C9 | C8 | C7 | H11 | 119.6° | 118.3° |
| H8 | C8 | C9 | N2 | 119.4° | 118.2° |
| H8 | C8 | C9 | O5 | 60.4° | 61.4° |
| H8 | C8 | C7 | H11 | 120.9° | 122.9° |
| C9 | N2 | C10 | O4 | 83.1° | 74.5° |
| C9 | N2 | C10 | H10 | 40.2° | 45.6° |
| C9 | N2 | C10 | H10A | 153.6° | 165.5° |
| N2 | C9 | C8 | H12 | 119.8° | 118.8° |
| O5 | C9 | C8 | H12 | 60.5° | 61.6° |
| O4 | C10 | H10 | H10A | 108.1° | 120.0° |
| H9 | C2 | C3 | H101 | 0.0° | 0.1° |
| H11 | C7 | C8 | H12 | 0.0° | 0.0° |
