M93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.39Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| CL | C13 | sing | 1.74Å | 1.74Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| O1 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C | O | sing | 1.43Å | 1.42Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C15 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | O2 | sing | 1.43Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| O | H14 | sing | 0.97Å | 0.95Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C4 | 117.4° | 121.8° |
| N | C3 | C2 | 123.5° | 120.9° |
| N | C3 | H15 | 118.3° | 119.5° |
| N | C4 | C5 | 123.5° | 120.7° |
| N | C4 | H2 | 118.3° | 119.7° |
| C3 | C2 | C1 | 119.2° | 119.2° |
| C3 | C2 | H7 | 120.4° | 120.4° |
| C2 | C3 | H15 | 118.2° | 119.5° |
| C4 | C5 | C1 | 118.3° | 119.0° |
| C4 | C5 | N1 | 116.4° | 120.5° |
| C5 | C4 | H2 | 118.2° | 119.7° |
| C2 | C1 | C5 | 117.9° | 118.4° |
| C2 | C1 | C | 120.1° | 120.8° |
| C1 | C2 | H7 | 120.4° | 120.4° |
| C1 | C5 | N1 | 125.0° | 120.5° |
| C5 | C1 | C | 121.8° | 120.8° |
| C5 | N1 | C6 | 136.6° | 120.1° |
| C5 | N1 | H1 | 111.7° | 120.0° |
| C1 | C | O | 112.5° | 109.5° |
| C1 | C | H12 | 108.7° | 109.5° |
| C1 | C | H13 | 108.7° | 109.5° |
| CL | C13 | C14 | 119.0° | 120.0° |
| CL | C13 | C12 | 119.2° | 120.0° |
| N1 | C6 | O1 | 122.5° | 119.9° |
| N1 | C6 | C7 | 115.2° | 120.1° |
| C6 | N1 | H1 | 111.7° | 120.0° |
| O1 | C6 | C7 | 122.2° | 120.0° |
| C6 | C7 | C15 | 105.6° | 109.4° |
| C6 | C7 | C8 | 108.1° | 109.5° |
| C6 | C7 | H3 | 110.3° | 109.4° |
| O | C | H12 | 108.7° | 109.5° |
| O | C | H13 | 108.7° | 109.5° |
| C | O | H14 | 109.5° | 114.0° |
| C14 | C13 | C12 | 121.8° | 119.9° |
| C13 | C14 | C15 | 119.8° | 120.3° |
| C13 | C14 | H11 | 120.1° | 119.9° |
| C13 | C12 | C11 | 119.2° | 119.9° |
| C13 | C12 | H10 | 120.4° | 120.0° |
| C14 | C15 | C7 | 121.6° | 118.7° |
| C14 | C15 | C10 | 118.1° | 119.9° |
| C15 | C14 | H11 | 120.1° | 119.8° |
| C15 | C7 | C8 | 112.0° | 109.7° |
| C7 | C15 | C10 | 120.0° | 121.4° |
| C15 | C7 | H3 | 110.5° | 109.4° |
| C7 | C8 | C9 | 110.1° | 108.3° |
| C8 | C7 | H3 | 110.2° | 109.4° |
| C7 | C8 | H4 | 109.3° | 109.7° |
| C7 | C8 | H5 | 109.3° | 109.7° |
| C12 | C11 | C10 | 119.6° | 120.2° |
| C12 | C11 | H6 | 120.2° | 119.9° |
| C11 | C12 | H10 | 120.4° | 120.0° |
| C15 | C10 | C11 | 121.4° | 119.7° |
| C15 | C10 | O2 | 122.9° | 121.8° |
| C11 | C10 | O2 | 115.7° | 118.5° |
| C10 | C11 | H6 | 120.2° | 119.9° |
| C10 | O2 | C9 | 115.0° | 117.8° |
| C8 | C9 | O2 | 111.4° | 108.4° |
| C9 | C8 | H4 | 109.3° | 109.7° |
| C9 | C8 | H5 | 109.3° | 109.6° |
| C8 | C9 | H8 | 109.0° | 109.7° |
| C8 | C9 | H9 | 109.0° | 109.7° |
| O2 | C9 | H8 | 109.0° | 109.7° |
| O2 | C9 | H9 | 109.0° | 109.7° |
| H4 | C8 | H5 | 109.5° | 109.8° |
| H8 | C9 | H9 | 109.5° | 109.7° |
| H12 | C | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C2 | H15 | 180.0° | 179.5° |
| C3 | N | C4 | C5 | 3.3° | 0.0° |
| N | C3 | C2 | C1 | 2.4° | 0.8° |
| C3 | N | C4 | H2 | 176.7° | 179.7° |
| N | C3 | C2 | H7 | 177.6° | 179.7° |
| C4 | N | C3 | C2 | 0.7° | 0.5° |
| N | C4 | C5 | H2 | 180.0° | 179.7° |
| N | C4 | C5 | C1 | 5.6° | 0.2° |
| N | C4 | C5 | N1 | 168.6° | 179.7° |
| C4 | N | C3 | H15 | 179.3° | 180.0° |
| C3 | C2 | C1 | H7 | 180.0° | 179.5° |
| C3 | C2 | C1 | C5 | 0.0° | 0.5° |
| C3 | C2 | C1 | C | 175.0° | 179.5° |
| C4 | C5 | C1 | C2 | 3.7° | 0.0° |
| C4 | C5 | C1 | N1 | 173.7° | 180.0° |
| C4 | C5 | C1 | C | 171.2° | 180.0° |
| C4 | C5 | N1 | C6 | 95.5° | 19.6° |
| C4 | C5 | N1 | H1 | 84.5° | 160.6° |
| C2 | C1 | C5 | C | 174.9° | 179.9° |
| C2 | C1 | C5 | N1 | 170.0° | 180.0° |
| C2 | C1 | C | O | 105.2° | 0.0° |
| C2 | C1 | C | H12 | 15.2° | 119.9° |
| C2 | C1 | C | H13 | 134.3° | 120.1° |
| C1 | C2 | C3 | H15 | 177.6° | 179.7° |
| C1 | C5 | N1 | C6 | 78.3° | 160.4° |
| C5 | C1 | C | O | 80.0° | 180.0° |
| C1 | C5 | N1 | H1 | 101.8° | 19.4° |
| C1 | C5 | C4 | H2 | 174.4° | 179.9° |
| C5 | C1 | C2 | H7 | 180.0° | 180.0° |
| C5 | C1 | C | H12 | 159.6° | 60.0° |
| C5 | C1 | C | H13 | 40.5° | 60.0° |
| N1 | C5 | C1 | C | 15.1° | 0.0° |
| C5 | N1 | C6 | H1 | 180.0° | 179.7° |
| C5 | N1 | C6 | O1 | 24.5° | 1.5° |
| C5 | N1 | C6 | C7 | 158.9° | 178.4° |
| N1 | C5 | C4 | H2 | 11.4° | 0.1° |
| C1 | C | O | H12 | 120.4° | 120.0° |
| C1 | C | O | H13 | 120.4° | 120.0° |
| C | C1 | C2 | H7 | 5.0° | 0.0° |
| C1 | C | H12 | H13 | 118.6° | 120.0° |
| C1 | C | O | H14 | 180.0° | 180.0° |
| CL | C13 | C14 | C12 | 179.7° | 179.9° |
| CL | C13 | C14 | C15 | 178.9° | 180.0° |
| CL | C13 | C12 | C11 | 178.4° | 180.0° |
| CL | C13 | C12 | H10 | 1.6° | 0.1° |
| CL | C13 | C14 | H11 | 1.1° | 0.1° |
| N1 | C6 | O1 | C7 | 176.4° | 179.9° |
| N1 | C6 | C7 | C15 | 146.0° | 80.2° |
| N1 | C6 | C7 | C8 | 93.9° | 159.5° |
| N1 | C6 | C7 | H3 | 26.6° | 39.6° |
| O1 | C6 | C7 | C15 | 30.6° | 99.8° |
| O1 | C6 | C7 | C8 | 89.4° | 20.4° |
| O1 | C6 | N1 | H1 | 155.5° | 178.7° |
| O1 | C6 | C7 | H3 | 150.0° | 140.3° |
| C6 | C7 | C15 | C14 | 73.2° | 42.3° |
| C6 | C7 | C15 | C8 | 117.5° | 120.1° |
| C6 | C7 | C15 | H3 | 119.3° | 119.9° |
| C6 | C7 | C8 | H3 | 120.6° | 119.9° |
| C6 | C7 | C15 | C10 | 100.7° | 137.8° |
| C6 | C7 | C8 | C9 | 75.4° | 168.2° |
| C7 | C6 | N1 | H1 | 21.2° | 1.3° |
| C6 | C7 | C8 | H4 | 44.7° | 48.5° |
| C6 | C7 | C8 | H5 | 164.5° | 72.1° |
| O | C | H12 | H13 | 118.7° | 120.0° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | C7 | 170.8° | 179.9° |
| C14 | C13 | C12 | C11 | 1.3° | 0.1° |
| C13 | C14 | C15 | C10 | 3.3° | 0.1° |
| C14 | C13 | C12 | H10 | 178.7° | 179.9° |
| C12 | C13 | C14 | C15 | 1.4° | 0.1° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 2.0° | 0.0° |
| C13 | C12 | C11 | H6 | 178.0° | 180.0° |
| C12 | C13 | C14 | H11 | 178.6° | 180.0° |
| C14 | C15 | C7 | C10 | 174.0° | 179.9° |
| C14 | C15 | C7 | C8 | 169.3° | 162.4° |
| C14 | C15 | C10 | C11 | 2.6° | 0.2° |
| C14 | C15 | C10 | O2 | 176.3° | 179.7° |
| C14 | C15 | C7 | H3 | 46.1° | 77.6° |
| C15 | C7 | C8 | H3 | 123.4° | 120.0° |
| C7 | C15 | C10 | C11 | 171.6° | 179.7° |
| C7 | C15 | C10 | O2 | 9.5° | 0.4° |
| C15 | C7 | C8 | C9 | 40.6° | 48.2° |
| C15 | C7 | C8 | H4 | 160.7° | 71.5° |
| C15 | C7 | C8 | H5 | 79.5° | 167.8° |
| C7 | C15 | C14 | H11 | 9.2° | 0.2° |
| C8 | C7 | C15 | C10 | 16.7° | 17.7° |
| C7 | C8 | C9 | H4 | 120.1° | 119.7° |
| C7 | C8 | C9 | H5 | 120.1° | 119.7° |
| C7 | C8 | C9 | O2 | 59.5° | 64.8° |
| C7 | C8 | H4 | H5 | 119.7° | 120.6° |
| C7 | C8 | C9 | H8 | 60.8° | 175.5° |
| C7 | C8 | C9 | H9 | 179.8° | 54.9° |
| C12 | C11 | C10 | C15 | 0.1° | 0.2° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | O2 | 179.0° | 179.7° |
| C15 | C10 | C11 | O2 | 178.9° | 179.9° |
| C15 | C10 | O2 | C9 | 27.5° | 17.2° |
| C10 | C15 | C7 | H3 | 140.0° | 102.3° |
| C15 | C10 | C11 | H6 | 180.0° | 179.9° |
| C10 | C15 | C14 | H11 | 176.7° | 179.8° |
| C11 | C10 | O2 | C9 | 153.6° | 162.9° |
| C10 | C11 | C12 | H10 | 178.0° | 180.0° |
| C10 | O2 | C9 | C8 | 52.8° | 49.2° |
| O2 | C10 | C11 | H6 | 1.0° | 0.2° |
| C10 | O2 | C9 | H8 | 67.5° | 168.9° |
| C10 | O2 | C9 | H9 | 173.0° | 70.5° |
| C8 | C9 | O2 | H8 | 120.3° | 119.7° |
| C8 | C9 | O2 | H9 | 120.3° | 119.7° |
| C9 | C8 | C7 | H3 | 164.0° | 71.8° |
| C9 | C8 | H4 | H5 | 119.7° | 120.5° |
| C8 | C9 | H8 | H9 | 119.1° | 120.6° |
| O2 | C9 | C8 | H4 | 179.6° | 54.9° |
| O2 | C9 | C8 | H5 | 60.6° | 175.5° |
| O2 | C9 | H8 | H9 | 119.2° | 120.5° |
| H3 | C7 | C8 | H4 | 75.9° | 168.5° |
| H3 | C7 | C8 | H5 | 43.9° | 47.8° |
| H4 | C8 | C9 | H8 | 59.3° | 64.8° |
| H4 | C8 | C9 | H9 | 60.1° | 174.6° |
| H5 | C8 | C9 | H8 | 179.1° | 55.8° |
| H5 | C8 | C9 | H9 | 59.7° | 64.7° |
| H6 | C11 | C12 | H10 | 2.0° | 0.1° |
| H7 | C2 | C3 | H15 | 2.4° | 0.3° |
| H12 | C | O | H14 | 59.6° | 60.0° |
| H13 | C | O | H14 | 59.5° | 60.0° |
