M7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| CL | C11 | sing | 1.74Å | 1.74Å | |
| O | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N | C3 | 117.6° | 121.8° |
| N | C2 | C1 | 124.2° | 120.9° |
| N | C2 | H10 | 117.9° | 119.5° |
| N | C3 | C4 | 123.3° | 120.7° |
| N | C3 | H9 | 118.4° | 119.7° |
| C2 | C1 | C | 121.8° | 120.4° |
| C2 | C1 | C13 | 116.9° | 119.2° |
| C1 | C2 | H10 | 117.9° | 119.5° |
| C3 | C4 | C13 | 117.8° | 119.0° |
| C3 | C4 | N1 | 122.5° | 120.5° |
| C4 | C3 | H9 | 118.4° | 119.7° |
| C | C1 | C13 | 121.3° | 120.4° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C13 | C4 | 120.3° | 118.4° |
| C1 | C13 | H6 | 119.8° | 120.8° |
| C13 | C4 | N1 | 119.7° | 120.5° |
| C4 | C13 | H6 | 119.8° | 120.8° |
| C4 | N1 | C5 | 125.8° | 120.0° |
| C4 | N1 | H1 | 117.1° | 120.0° |
| N1 | C5 | O | 123.4° | 120.0° |
| N1 | C5 | C6 | 114.9° | 120.0° |
| C5 | N1 | H1 | 117.1° | 120.0° |
| CL | C11 | C12 | 118.8° | 120.0° |
| CL | C11 | C10 | 119.4° | 120.0° |
| O | C5 | C6 | 121.7° | 120.0° |
| C5 | C6 | C7 | 109.5° | 109.5° |
| C5 | C6 | H2 | 109.5° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C11 | C12 | C7 | 119.8° | 120.0° |
| C12 | C11 | C10 | 121.8° | 120.0° |
| C11 | C12 | H8 | 120.1° | 120.0° |
| C12 | C7 | C6 | 119.9° | 120.0° |
| C12 | C7 | C8 | 118.9° | 120.1° |
| C7 | C12 | H8 | 120.1° | 120.0° |
| C11 | C10 | C9 | 118.5° | 120.0° |
| C11 | C10 | H5 | 120.7° | 120.0° |
| C6 | C7 | C8 | 121.1° | 119.9° |
| C7 | C6 | H2 | 109.5° | 109.5° |
| C7 | C6 | H3 | 109.5° | 109.5° |
| C7 | C8 | C9 | 120.7° | 120.0° |
| C7 | C8 | H4 | 119.7° | 120.0° |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C9 | C10 | H5 | 120.7° | 120.0° |
| C10 | C9 | H7 | 119.8° | 120.0° |
| C9 | C8 | H4 | 119.7° | 120.0° |
| C8 | C9 | H7 | 119.9° | 120.0° |
| H2 | C6 | H3 | 109.4° | 109.4° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C2 | C1 | H10 | 180.0° | 179.7° |
| C2 | N | C3 | C4 | 0.4° | 0.1° |
| N | C2 | C1 | C | 178.4° | 179.9° |
| N | C2 | C1 | C13 | 1.1° | 0.6° |
| C2 | N | C3 | H9 | 179.7° | 180.0° |
| C3 | N | C2 | C1 | 0.4° | 0.2° |
| N | C3 | C4 | H9 | 180.0° | 179.9° |
| N | C3 | C4 | C13 | 0.4° | 0.0° |
| N | C3 | C4 | N1 | 176.2° | 179.7° |
| C3 | N | C2 | H10 | 179.5° | 180.0° |
| C2 | C1 | C | C13 | 179.5° | 179.3° |
| C2 | C1 | C13 | C4 | 1.0° | 0.7° |
| C2 | C1 | C13 | H6 | 179.0° | 179.5° |
| C2 | C1 | C | H11 | 90.2° | 90.1° |
| C2 | C1 | C | H12 | 149.8° | 150.0° |
| C2 | C1 | C | H13 | 29.8° | 29.9° |
| C3 | C4 | C13 | C1 | 0.3° | 0.4° |
| C3 | C4 | C13 | N1 | 175.9° | 179.7° |
| C3 | C4 | N1 | C5 | 82.3° | 145.3° |
| C3 | C4 | N1 | H1 | 97.6° | 34.4° |
| C3 | C4 | C13 | H6 | 179.7° | 179.8° |
| C | C1 | C13 | C4 | 178.5° | 180.0° |
| C | C1 | C13 | H6 | 1.5° | 0.2° |
| C | C1 | C2 | H10 | 1.6° | 0.3° |
| C1 | C | H11 | H12 | 120.0° | 119.9° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C13 | C4 | H6 | 180.0° | 179.8° |
| C1 | C13 | C4 | N1 | 175.6° | 180.0° |
| C13 | C1 | C2 | H10 | 178.9° | 179.6° |
| C13 | C1 | C | H11 | 90.2° | 90.6° |
| C13 | C1 | C | H12 | 29.8° | 29.3° |
| C13 | C1 | C | H13 | 149.8° | 149.4° |
| C13 | C4 | N1 | C5 | 93.3° | 35.0° |
| C13 | C4 | N1 | H1 | 86.7° | 145.2° |
| C13 | C4 | C3 | H9 | 179.6° | 180.0° |
| C4 | N1 | C5 | H1 | 180.0° | 179.8° |
| C4 | N1 | C5 | O | 7.4° | 4.9° |
| C4 | N1 | C5 | C6 | 170.6° | 175.0° |
| N1 | C4 | C13 | H6 | 4.5° | 0.1° |
| N1 | C4 | C3 | H9 | 3.9° | 0.3° |
| N1 | C5 | O | C6 | 177.9° | 179.9° |
| N1 | C5 | C6 | C7 | 158.9° | 180.0° |
| N1 | C5 | C6 | H2 | 81.1° | 59.9° |
| N1 | C5 | C6 | H3 | 38.8° | 60.0° |
| CL | C11 | C12 | C10 | 178.8° | 179.7° |
| CL | C11 | C12 | C7 | 179.3° | 179.7° |
| CL | C11 | C10 | C9 | 177.2° | 180.0° |
| CL | C11 | C10 | H5 | 2.8° | 0.3° |
| CL | C11 | C12 | H8 | 0.7° | 0.3° |
| O | C5 | C6 | C7 | 23.1° | 0.1° |
| O | C5 | N1 | H1 | 172.6° | 175.3° |
| O | C5 | C6 | H2 | 97.0° | 120.0° |
| O | C5 | C6 | H3 | 143.1° | 120.1° |
| C5 | C6 | C7 | C12 | 76.6° | 90.2° |
| C5 | C6 | C7 | H2 | 120.0° | 120.1° |
| C5 | C6 | C7 | H3 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 99.9° | 90.0° |
| C6 | C5 | N1 | H1 | 9.4° | 4.8° |
| C5 | C6 | H2 | H3 | 120.0° | 120.0° |
| C11 | C12 | C7 | H8 | 180.0° | 180.0° |
| C11 | C12 | C7 | C6 | 174.6° | 180.0° |
| C11 | C12 | C7 | C8 | 2.0° | 0.2° |
| C12 | C11 | C10 | C9 | 1.7° | 0.3° |
| C12 | C11 | C10 | H5 | 178.3° | 180.0° |
| C7 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C7 | C6 | C8 | 176.5° | 179.7° |
| C12 | C7 | C8 | C9 | 1.5° | 0.2° |
| C12 | C7 | C6 | H2 | 163.4° | 149.7° |
| C12 | C7 | C6 | H3 | 43.5° | 29.8° |
| C12 | C7 | C8 | H4 | 178.5° | 179.7° |
| C11 | C10 | C9 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 2.2° | 0.3° |
| C11 | C10 | C9 | H7 | 177.8° | 179.8° |
| C10 | C11 | C12 | H8 | 179.5° | 180.0° |
| C6 | C7 | C8 | C9 | 175.1° | 180.0° |
| C7 | C6 | H2 | H3 | 120.0° | 120.0° |
| C6 | C7 | C8 | H4 | 4.9° | 0.0° |
| C6 | C7 | C12 | H8 | 5.4° | 0.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | H2 | 20.1° | 30.0° |
| C8 | C7 | C6 | H3 | 140.0° | 150.0° |
| C7 | C8 | C9 | H7 | 179.4° | 180.0° |
| C8 | C7 | C12 | H8 | 178.0° | 179.7° |
| C10 | C9 | C8 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | H4 | 179.4° | 180.0° |
| C8 | C9 | C10 | H5 | 177.8° | 180.0° |
| H4 | C8 | C9 | H7 | 0.6° | 0.1° |
| H5 | C10 | C9 | H7 | 2.2° | 0.1° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
