M9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| N2 | C6 | sing | 1.46Å | 1.47Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| C14 | N4 | sing | 1.47Å | 1.47Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| N4 | C13 | sing | 1.47Å | 1.48Å | |
| C1 | C13 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 1.01Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 1.01Å | 1.00Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C7 | N2 | 123.0° | 120.0° |
| O2 | C7 | C8 | 119.8° | 120.0° |
| C11 | C10 | C5 | 120.6° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C11 | C10 | H15 | 119.7° | 120.0° |
| C10 | C11 | H16 | 120.0° | 120.0° |
| C10 | C5 | C6 | 121.0° | 120.0° |
| C10 | C5 | C4 | 118.3° | 120.0° |
| C5 | C10 | H15 | 119.7° | 120.0° |
| C7 | N2 | C6 | 122.9° | 120.0° |
| N2 | C7 | C8 | 117.1° | 120.0° |
| C7 | N2 | H7 | 118.6° | 120.0° |
| N2 | C6 | C5 | 114.0° | 109.5° |
| N2 | C6 | H5 | 108.3° | 109.5° |
| N2 | C6 | H6 | 108.3° | 109.5° |
| C6 | N2 | H7 | 118.5° | 120.0° |
| C11 | C12 | C3 | 120.5° | 120.0° |
| C12 | C11 | H16 | 119.9° | 120.0° |
| C11 | C12 | H17 | 119.7° | 120.0° |
| C7 | C8 | N3 | 111.3° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C8 | H9 | 109.0° | 109.5° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C5 | C6 | H5 | 108.3° | 109.4° |
| C5 | C6 | H6 | 108.3° | 109.4° |
| C5 | C4 | C3 | 121.8° | 120.0° |
| C5 | C4 | H4 | 119.1° | 120.0° |
| C12 | C3 | C4 | 118.7° | 120.0° |
| C12 | C3 | C2 | 120.5° | 120.0° |
| C3 | C12 | H17 | 119.8° | 120.0° |
| C8 | N3 | C9 | 109.2° | 111.1° |
| N3 | C8 | H8 | 109.0° | 109.4° |
| N3 | C8 | H9 | 109.0° | 109.4° |
| C8 | N3 | H10 | 109.6° | 111.0° |
| C9 | N3 | H10 | 109.5° | 111.0° |
| N3 | C9 | H12 | 109.5° | 109.4° |
| N3 | C9 | H13 | 109.4° | 109.5° |
| N3 | C9 | H14 | 109.5° | 109.5° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C3 | C4 | H4 | 119.1° | 120.0° |
| C3 | C2 | N1 | 113.5° | 109.5° |
| C3 | C2 | H2 | 108.5° | 109.5° |
| C3 | C2 | H3 | 108.5° | 109.5° |
| C2 | N1 | C1 | 122.5° | 120.0° |
| C2 | N1 | H1 | 118.8° | 120.0° |
| N1 | C2 | H2 | 108.4° | 109.5° |
| N1 | C2 | H3 | 108.5° | 109.4° |
| C14 | N4 | C13 | 114.2° | 111.0° |
| C14 | N4 | H20 | 108.3° | 111.0° |
| N4 | C14 | H22 | 109.5° | 109.5° |
| N4 | C14 | H23 | 109.4° | 109.5° |
| N4 | C14 | H24 | 109.5° | 109.5° |
| N1 | C1 | C13 | 118.5° | 120.0° |
| N1 | C1 | O1 | 121.4° | 120.0° |
| C1 | N1 | H1 | 118.7° | 120.0° |
| N4 | C13 | C1 | 120.0° | 109.5° |
| N4 | C13 | H18 | 106.8° | 109.5° |
| N4 | C13 | H19 | 106.8° | 109.5° |
| C13 | N4 | H20 | 108.3° | 111.0° |
| C13 | C1 | O1 | 120.1° | 120.0° |
| C1 | C13 | H18 | 106.8° | 109.4° |
| C1 | C13 | H19 | 106.7° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.4° | 109.5° |
| H12 | C9 | H14 | 109.4° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C7 | N2 | C8 | 179.3° | 180.0° |
| O2 | C7 | N2 | C6 | 133.8° | 0.0° |
| O2 | C7 | C8 | N3 | 102.1° | 0.0° |
| O2 | C7 | N2 | H7 | 46.2° | 180.0° |
| O2 | C7 | C8 | H8 | 18.2° | 120.0° |
| O2 | C7 | C8 | H9 | 137.7° | 120.0° |
| C11 | C10 | C5 | H15 | 180.0° | 179.7° |
| C10 | C11 | C12 | H16 | 180.0° | 179.8° |
| C11 | C10 | C5 | C6 | 178.7° | 180.0° |
| C11 | C10 | C5 | C4 | 0.5° | 0.0° |
| C10 | C11 | C12 | C3 | 0.6° | 0.5° |
| C10 | C11 | C12 | H17 | 179.4° | 180.0° |
| C10 | C5 | C6 | N2 | 38.0° | 90.0° |
| C5 | C10 | C11 | C12 | 0.7° | 0.2° |
| C10 | C5 | C6 | C4 | 178.1° | 180.0° |
| C10 | C5 | C4 | C3 | 0.4° | 0.0° |
| C10 | C5 | C4 | H4 | 179.6° | 179.9° |
| C10 | C5 | C6 | H5 | 82.7° | 30.1° |
| C10 | C5 | C6 | H6 | 158.6° | 150.0° |
| C5 | C10 | C11 | H16 | 179.3° | 180.0° |
| C7 | N2 | C6 | H7 | 180.0° | 179.9° |
| C7 | N2 | C6 | C5 | 94.3° | 180.0° |
| N2 | C7 | C8 | N3 | 78.7° | 180.0° |
| C7 | N2 | C6 | H5 | 145.1° | 60.0° |
| C7 | N2 | C6 | H6 | 26.4° | 60.0° |
| N2 | C7 | C8 | H8 | 161.1° | 60.0° |
| N2 | C7 | C8 | H9 | 41.6° | 60.0° |
| C6 | N2 | C7 | C8 | 45.5° | 180.0° |
| N2 | C6 | C5 | H5 | 120.7° | 120.1° |
| N2 | C6 | C5 | H6 | 120.6° | 120.0° |
| N2 | C6 | C5 | C4 | 143.9° | 90.0° |
| N2 | C6 | H5 | H6 | 117.9° | 120.1° |
| C11 | C12 | C3 | H17 | 180.0° | 179.5° |
| C11 | C12 | C3 | C4 | 0.4° | 0.5° |
| C11 | C12 | C3 | C2 | 179.8° | 179.8° |
| C12 | C11 | C10 | H15 | 179.4° | 180.0° |
| C7 | C8 | N3 | H8 | 120.2° | 120.1° |
| C7 | C8 | N3 | H9 | 120.2° | 120.0° |
| C7 | C8 | N3 | C9 | 102.1° | 180.0° |
| C8 | C7 | N2 | H7 | 134.5° | 0.0° |
| C7 | C8 | H8 | H9 | 119.2° | 120.0° |
| C7 | C8 | N3 | H10 | 17.8° | 56.0° |
| C6 | C5 | C4 | C3 | 178.5° | 180.0° |
| C6 | C5 | C4 | H4 | 1.5° | 0.0° |
| C5 | C6 | H5 | H6 | 117.9° | 119.9° |
| C5 | C6 | N2 | H7 | 85.7° | 0.0° |
| C6 | C5 | C10 | H15 | 1.3° | 0.3° |
| C5 | C4 | C3 | C12 | 0.3° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 179.7° | 180.0° |
| C4 | C5 | C6 | H5 | 95.4° | 150.0° |
| C4 | C5 | C6 | H6 | 23.3° | 30.0° |
| C4 | C5 | C10 | H15 | 179.5° | 179.7° |
| C12 | C3 | C4 | C2 | 179.4° | 179.7° |
| C12 | C3 | C2 | N1 | 56.5° | 90.3° |
| C12 | C3 | C2 | H2 | 64.1° | 149.7° |
| C12 | C3 | C2 | H3 | 177.1° | 29.7° |
| C12 | C3 | C4 | H4 | 179.7° | 179.7° |
| C3 | C12 | C11 | H16 | 179.4° | 179.8° |
| C8 | N3 | C9 | H10 | 120.0° | 124.0° |
| N3 | C8 | H8 | H9 | 119.2° | 119.9° |
| C8 | N3 | C9 | H12 | 180.0° | 60.0° |
| C8 | N3 | C9 | H13 | 60.0° | 180.0° |
| C8 | N3 | C9 | H14 | 60.0° | 60.0° |
| C9 | N3 | C8 | H8 | 137.6° | 59.9° |
| C9 | N3 | C8 | H9 | 18.1° | 60.0° |
| N3 | C9 | H12 | H13 | 120.0° | 120.0° |
| N3 | C9 | H12 | H14 | 120.0° | 120.0° |
| N3 | C9 | H13 | H14 | 120.0° | 120.0° |
| C4 | C3 | C2 | N1 | 124.1° | 90.0° |
| C4 | C3 | C2 | H2 | 115.3° | 30.0° |
| C4 | C3 | C2 | H3 | 3.5° | 150.0° |
| C4 | C3 | C12 | H17 | 179.6° | 180.0° |
| C3 | C2 | N1 | H2 | 120.6° | 120.0° |
| C3 | C2 | N1 | H3 | 120.6° | 120.0° |
| C3 | C2 | N1 | C1 | 159.0° | 180.0° |
| C3 | C2 | N1 | H1 | 21.0° | 0.0° |
| C3 | C2 | H2 | H3 | 118.2° | 120.0° |
| C2 | C3 | C4 | H4 | 0.3° | 0.1° |
| C2 | C3 | C12 | H17 | 0.2° | 0.3° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | C13 | 173.6° | 180.0° |
| C2 | N1 | C1 | O1 | 5.8° | 0.3° |
| N1 | C2 | H2 | H3 | 118.1° | 120.0° |
| C14 | N4 | C13 | H20 | 120.7° | 124.0° |
| C14 | N4 | C13 | C1 | 115.0° | 180.0° |
| C14 | N4 | C13 | H18 | 123.5° | 60.0° |
| C14 | N4 | C13 | H19 | 6.4° | 60.0° |
| N4 | C14 | H22 | H23 | 120.0° | 120.0° |
| N4 | C14 | H22 | H24 | 120.0° | 120.0° |
| N4 | C14 | H23 | H24 | 120.0° | 120.0° |
| N1 | C1 | C13 | N4 | 9.5° | 179.7° |
| N1 | C1 | C13 | O1 | 179.4° | 179.7° |
| C1 | N1 | C2 | H2 | 38.4° | 60.0° |
| C1 | N1 | C2 | H3 | 80.4° | 60.0° |
| N1 | C1 | C13 | H18 | 131.0° | 60.3° |
| N1 | C1 | C13 | H19 | 112.0° | 59.7° |
| N4 | C13 | C1 | H18 | 121.5° | 120.0° |
| N4 | C13 | C1 | H19 | 121.5° | 120.0° |
| N4 | C13 | C1 | O1 | 171.0° | 0.0° |
| N4 | C13 | H18 | H19 | 115.3° | 120.0° |
| C13 | N4 | C14 | H22 | 180.0° | 60.0° |
| C13 | N4 | C14 | H23 | 60.0° | 180.0° |
| C13 | N4 | C14 | H24 | 60.0° | 60.0° |
| C13 | C1 | N1 | H1 | 6.4° | 0.0° |
| C1 | C13 | H18 | H19 | 115.2° | 120.0° |
| C1 | C13 | N4 | H20 | 5.7° | 56.0° |
| O1 | C1 | N1 | H1 | 174.2° | 179.8° |
| O1 | C1 | C13 | H18 | 49.5° | 120.0° |
| O1 | C1 | C13 | H19 | 67.5° | 120.0° |
| H1 | N1 | C2 | H2 | 141.6° | 120.0° |
| H1 | N1 | C2 | H3 | 99.6° | 120.0° |
| H5 | C6 | N2 | H7 | 34.9° | 120.0° |
| H6 | C6 | N2 | H7 | 153.6° | 120.0° |
| H8 | C8 | N3 | H10 | 102.4° | 176.1° |
| H9 | C8 | N3 | H10 | 138.1° | 64.0° |
| H10 | N3 | C9 | H12 | 60.0° | 64.0° |
| H10 | N3 | C9 | H13 | 180.0° | 56.1° |
| H10 | N3 | C9 | H14 | 60.0° | 176.1° |
| H12 | C9 | H13 | H14 | 120.0° | 120.1° |
| H15 | C10 | C11 | H16 | 0.7° | 0.3° |
| H16 | C11 | C12 | H17 | 0.6° | 0.3° |
| H18 | C13 | N4 | H20 | 115.8° | 63.9° |
| H19 | C13 | N4 | H20 | 127.1° | 176.1° |
| H20 | N4 | C14 | H22 | 59.3° | 176.0° |
| H20 | N4 | C14 | H23 | 60.7° | 56.0° |
| H20 | N4 | C14 | H24 | 179.3° | 64.0° |
| H22 | C14 | H23 | H24 | 120.0° | 120.0° |
