M7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C11 | sing | 1.40Å | 1.33Å | |
| F2 | C11 | sing | 1.40Å | 1.33Å | |
| F1 | C11 | sing | 1.40Å | 1.34Å | |
| C11 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C12 | N2 | sing | 1.38Å | 1.39Å | |
| C12 | C2 | doub | 1.33Å | 1.38Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| N2 | C13 | sing | 1.35Å | 1.34Å | |
| C2 | N1 | sing | 1.38Å | 1.36Å | |
| C13 | O2 | doub | 1.22Å | 1.23Å | |
| C13 | C1 | sing | 1.49Å | 1.58Å | |
| N1 | C1 | sing | 1.35Å | 1.37Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C11 | F2 | 108.5° | 109.4° |
| F3 | C11 | F1 | 108.6° | 109.5° |
| F3 | C11 | C8 | 108.6° | 109.5° |
| F2 | C11 | F1 | 108.5° | 109.4° |
| F2 | C11 | C8 | 111.0° | 109.5° |
| F1 | C11 | C8 | 111.5° | 109.5° |
| C11 | C8 | C7 | 119.9° | 120.0° |
| C11 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | C9 | 119.8° | 120.0° |
| C8 | C7 | C6 | 120.0° | 120.0° |
| C8 | C7 | H7 | 120.0° | 119.9° |
| C8 | C9 | C10 | 120.1° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C7 | C6 | C5 | 120.1° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C9 | C10 | C5 | 120.0° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C6 | C5 | C10 | 119.9° | 120.0° |
| C6 | C5 | C4 | 120.2° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C10 | C5 | C4 | 119.9° | 120.0° |
| C5 | C10 | H10 | 120.0° | 120.0° |
| C5 | C4 | C3 | 115.7° | 109.5° |
| C5 | C4 | H42 | 107.9° | 109.5° |
| C5 | C4 | H41 | 107.9° | 109.5° |
| C4 | C3 | C2 | 116.5° | 109.5° |
| C3 | C4 | H42 | 107.9° | 109.5° |
| C3 | C4 | H41 | 107.9° | 109.4° |
| C4 | C3 | H32 | 107.7° | 109.5° |
| C4 | C3 | H31 | 107.7° | 109.4° |
| N2 | C12 | C2 | 121.9° | 121.6° |
| C12 | N2 | C13 | 121.5° | 119.9° |
| N2 | C12 | H12 | 119.0° | 119.2° |
| C12 | N2 | HN2 | 119.2° | 120.0° |
| C12 | C2 | C3 | 119.6° | 119.2° |
| C12 | C2 | N1 | 122.7° | 121.7° |
| C2 | C12 | H12 | 119.1° | 119.1° |
| C3 | C2 | N1 | 117.6° | 119.2° |
| C2 | C3 | H32 | 107.7° | 109.5° |
| C2 | C3 | H31 | 107.7° | 109.5° |
| N2 | C13 | O2 | 124.1° | 120.7° |
| N2 | C13 | C1 | 115.2° | 118.5° |
| C13 | N2 | HN2 | 119.3° | 120.1° |
| C2 | N1 | C1 | 118.5° | 119.8° |
| C2 | N1 | H2 | 120.7° | 120.1° |
| O2 | C13 | C1 | 120.7° | 120.8° |
| C13 | C1 | N1 | 120.2° | 118.5° |
| C13 | C1 | O1 | 114.9° | 120.7° |
| N1 | C1 | O1 | 125.0° | 120.8° |
| C1 | N1 | H2 | 120.7° | 120.0° |
| H42 | C4 | H41 | 109.4° | 109.4° |
| H32 | C3 | H31 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C11 | F2 | F1 | 117.8° | 120.0° |
| F3 | C11 | F2 | C8 | 119.3° | 120.0° |
| F3 | C11 | F1 | C8 | 119.6° | 120.1° |
| F3 | C11 | C8 | C7 | 72.0° | 30.0° |
| F3 | C11 | C8 | C9 | 107.7° | 150.0° |
| F2 | C11 | F1 | C8 | 122.6° | 120.0° |
| F2 | C11 | C8 | C7 | 47.2° | 150.0° |
| F2 | C11 | C8 | C9 | 133.1° | 30.0° |
| F1 | C11 | C8 | C7 | 168.4° | 90.0° |
| F1 | C11 | C8 | C9 | 11.9° | 90.0° |
| C11 | C8 | C7 | C9 | 179.7° | 180.0° |
| C11 | C8 | C7 | C6 | 179.9° | 180.0° |
| C11 | C8 | C9 | C10 | 180.0° | 179.7° |
| C11 | C8 | C7 | H7 | 0.1° | 0.0° |
| C11 | C8 | C9 | H9 | 0.0° | 0.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.3° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H6 | 179.8° | 180.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | C5 | 0.0° | 0.6° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 0.4° | 0.4° |
| C7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C9 | C10 | C5 | C6 | 0.3° | 0.7° |
| C9 | C10 | C5 | H10 | 180.0° | 179.6° |
| C9 | C10 | C5 | C4 | 179.8° | 179.7° |
| C6 | C5 | C10 | C4 | 179.9° | 179.6° |
| C6 | C5 | C4 | C3 | 55.2° | 90.0° |
| C6 | C5 | C4 | H42 | 176.1° | 149.9° |
| C6 | C5 | C4 | H41 | 65.7° | 30.0° |
| C5 | C6 | C7 | H7 | 179.8° | 179.9° |
| C6 | C5 | C10 | H10 | 179.7° | 179.7° |
| C10 | C5 | C4 | C3 | 124.9° | 90.4° |
| C10 | C5 | C4 | H42 | 4.0° | 29.7° |
| C10 | C5 | C4 | H41 | 114.2° | 149.7° |
| C10 | C5 | C6 | H6 | 179.6° | 179.7° |
| C5 | C10 | C9 | H9 | 179.9° | 179.7° |
| C5 | C4 | C3 | H42 | 120.9° | 120.1° |
| C5 | C4 | C3 | H41 | 120.9° | 120.0° |
| C5 | C4 | C3 | C2 | 50.1° | 180.0° |
| C5 | C4 | H42 | H41 | 117.1° | 120.0° |
| C4 | C5 | C6 | H6 | 0.3° | 0.1° |
| C4 | C5 | C10 | H10 | 0.3° | 0.0° |
| C5 | C4 | C3 | H32 | 171.1° | 59.9° |
| C5 | C4 | C3 | H31 | 70.9° | 60.0° |
| C4 | C3 | C2 | C12 | 110.5° | 95.1° |
| C4 | C3 | C2 | H32 | 121.0° | 120.1° |
| C4 | C3 | C2 | H31 | 121.0° | 120.0° |
| C4 | C3 | C2 | N1 | 71.0° | 85.0° |
| C3 | C4 | H42 | H41 | 117.1° | 119.9° |
| C4 | C3 | H32 | H31 | 116.9° | 119.9° |
| N2 | C12 | C2 | H12 | 180.0° | 179.7° |
| N2 | C12 | C2 | C3 | 177.8° | 179.9° |
| C12 | N2 | C13 | HN2 | 180.0° | 179.8° |
| N2 | C12 | C2 | N1 | 0.7° | 0.0° |
| C12 | N2 | C13 | O2 | 178.4° | 180.0° |
| C12 | N2 | C13 | C1 | 1.6° | 0.5° |
| C12 | C2 | C3 | N1 | 178.5° | 180.0° |
| C2 | C12 | N2 | C13 | 0.8° | 0.2° |
| C12 | C2 | N1 | C1 | 1.0° | 0.0° |
| C12 | C2 | C3 | H32 | 128.5° | 25.0° |
| C12 | C2 | C3 | H31 | 10.5° | 145.0° |
| C2 | C12 | N2 | HN2 | 179.2° | 180.0° |
| C12 | C2 | N1 | H2 | 179.0° | 179.7° |
| C3 | C2 | N1 | C1 | 177.5° | 180.0° |
| C2 | C3 | C4 | H42 | 70.8° | 59.9° |
| C2 | C3 | C4 | H41 | 171.0° | 60.0° |
| C2 | C3 | H32 | H31 | 116.8° | 120.0° |
| C3 | C2 | C12 | H12 | 2.3° | 0.3° |
| C3 | C2 | N1 | H2 | 2.6° | 0.3° |
| N2 | C13 | O2 | C1 | 180.0° | 179.5° |
| N2 | C13 | C1 | N1 | 1.2° | 0.5° |
| N2 | C13 | C1 | O1 | 178.5° | 179.5° |
| C13 | N2 | C12 | H12 | 179.2° | 180.0° |
| C2 | N1 | C1 | C13 | 0.1° | 0.2° |
| C2 | N1 | C1 | H2 | 180.0° | 179.7° |
| C2 | N1 | C1 | O1 | 179.8° | 179.7° |
| N1 | C2 | C3 | H32 | 50.0° | 155.0° |
| N1 | C2 | C3 | H31 | 168.0° | 35.0° |
| N1 | C2 | C12 | H12 | 179.3° | 179.7° |
| O2 | C13 | C1 | N1 | 178.8° | 180.0° |
| O2 | C13 | C1 | O1 | 1.4° | 0.0° |
| O2 | C13 | N2 | HN2 | 1.6° | 0.2° |
| C13 | C1 | N1 | O1 | 179.8° | 180.0° |
| C1 | C13 | N2 | HN2 | 178.4° | 179.8° |
| C13 | C1 | N1 | H2 | 179.9° | 180.0° |
| O1 | C1 | N1 | H2 | 0.2° | 0.0° |
| H42 | C4 | C3 | H32 | 50.2° | 180.0° |
| H42 | C4 | C3 | H31 | 168.1° | 60.1° |
| H41 | C4 | C3 | H32 | 68.0° | 60.1° |
| H41 | C4 | C3 | H31 | 50.0° | NaN° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| H10 | C10 | C9 | H9 | 0.0° | 0.1° |
| H12 | C12 | N2 | HN2 | 0.8° | 0.3° |
