9MI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.47Å | 1.38Å | |
| C8 | C2 | doub | 1.33Å | 1.33Å | |
| C7 | C5 | doub | 1.33Å | 1.33Å | |
| C9 | C1 | sing | 1.53Å | 1.48Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C5 | C4 | sing | 1.51Å | 1.48Å | |
| C1 | C | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C2 | 119.6° | 119.8° |
| C8 | C7 | C5 | 120.9° | 119.8° |
| C8 | C7 | H9 | 119.6° | 120.1° |
| C7 | C8 | H16 | 120.2° | 120.1° |
| C8 | C2 | C1 | 125.3° | 119.9° |
| C8 | C2 | C3 | 120.1° | 120.2° |
| C2 | C8 | H16 | 120.2° | 120.1° |
| C7 | C5 | C6 | 122.8° | 119.9° |
| C7 | C5 | C4 | 121.0° | 120.1° |
| C5 | C7 | H9 | 119.5° | 120.1° |
| C9 | C1 | C2 | 115.0° | 109.4° |
| C9 | C1 | C | 115.8° | 109.5° |
| C9 | C1 | H1 | 105.3° | 109.4° |
| C1 | C9 | H10 | 109.5° | 109.5° |
| C1 | C9 | H11 | 109.5° | 109.5° |
| C1 | C9 | H12 | 109.4° | 109.5° |
| C1 | C2 | C3 | 114.4° | 119.9° |
| C2 | C1 | C | 109.5° | 109.5° |
| C2 | C1 | H1 | 105.0° | 109.5° |
| C2 | C3 | C4 | 113.5° | 109.9° |
| C2 | C3 | H2 | 108.5° | 109.4° |
| C2 | C3 | H3 | 108.4° | 109.3° |
| C6 | C5 | C4 | 115.9° | 119.9° |
| C5 | C6 | H6 | 109.5° | 109.4° |
| C5 | C6 | H7 | 109.4° | 109.5° |
| C5 | C6 | H8 | 109.4° | 109.5° |
| C5 | C4 | C3 | 109.9° | 109.9° |
| C5 | C4 | H4 | 109.4° | 109.3° |
| C5 | C4 | H5 | 109.4° | 109.3° |
| C | C1 | H1 | 105.1° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.4° | 109.4° |
| C4 | C3 | H2 | 108.5° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.4° |
| C3 | C4 | H4 | 109.4° | 109.4° |
| C3 | C4 | H5 | 109.4° | 109.4° |
| H2 | C3 | H3 | 109.4° | 109.3° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H8 | 109.4° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.4° |
| H10 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C2 | H16 | 180.0° | 179.9° |
| C8 | C7 | C5 | H9 | 180.0° | 180.0° |
| C7 | C8 | C2 | C1 | 179.6° | 179.9° |
| C7 | C8 | C2 | C3 | 6.3° | 0.1° |
| C8 | C7 | C5 | C6 | 174.3° | 179.9° |
| C8 | C7 | C5 | C4 | 12.5° | 0.4° |
| C2 | C8 | C7 | C5 | 3.6° | 19.3° |
| C8 | C2 | C1 | C9 | 11.5° | 119.8° |
| C8 | C2 | C1 | C3 | 174.4° | 179.8° |
| C8 | C2 | C1 | C | 120.9° | 120.2° |
| C8 | C2 | C3 | C4 | 31.8° | 34.7° |
| C8 | C2 | C1 | H1 | 126.7° | 0.2° |
| C8 | C2 | C3 | H2 | 88.8° | 85.5° |
| C8 | C2 | C3 | H3 | 152.4° | 154.8° |
| C2 | C8 | C7 | H9 | 176.4° | 160.7° |
| C7 | C5 | C6 | C4 | 173.6° | 179.8° |
| C7 | C5 | C4 | C3 | 36.6° | 35.1° |
| C7 | C5 | C4 | H4 | 83.4° | 155.2° |
| C7 | C5 | C4 | H5 | 156.7° | 85.0° |
| C7 | C5 | C6 | H6 | 180.0° | 0.0° |
| C7 | C5 | C6 | H7 | 60.0° | 120.0° |
| C7 | C5 | C6 | H8 | 60.0° | 120.0° |
| C5 | C7 | C8 | H16 | 176.3° | 160.6° |
| C9 | C1 | C2 | C | 132.4° | 120.0° |
| C9 | C1 | C2 | H1 | 115.2° | 119.9° |
| C9 | C1 | C2 | C3 | 174.0° | 60.1° |
| C9 | C1 | C | H1 | 115.7° | 120.0° |
| C1 | C9 | H10 | H11 | 120.0° | 120.0° |
| C1 | C9 | H10 | H12 | 120.0° | 120.0° |
| C1 | C9 | H11 | H12 | 119.9° | 120.0° |
| C9 | C1 | C | H13 | 180.0° | 180.0° |
| C9 | C1 | C | H14 | 60.0° | 60.0° |
| C9 | C1 | C | H15 | 60.0° | 60.0° |
| C2 | C1 | C | H1 | 112.3° | 120.0° |
| C1 | C2 | C3 | C4 | 153.4° | 145.2° |
| C1 | C2 | C3 | H2 | 85.9° | 94.6° |
| C1 | C2 | C3 | H3 | 32.8° | 25.1° |
| C2 | C1 | C9 | H10 | 180.0° | 180.0° |
| C2 | C1 | C9 | H11 | 60.0° | 60.0° |
| C2 | C1 | C9 | H12 | 60.0° | 60.0° |
| C2 | C1 | C | H13 | 48.0° | 60.0° |
| C2 | C1 | C | H14 | 72.0° | 179.9° |
| C2 | C1 | C | H15 | 168.0° | 59.9° |
| C1 | C2 | C8 | H16 | 0.4° | 0.0° |
| C2 | C3 | C4 | C5 | 43.5° | 49.8° |
| C3 | C2 | C1 | C | 53.5° | 59.9° |
| C2 | C3 | C4 | H2 | 120.6° | 120.1° |
| C2 | C3 | C4 | H3 | 120.6° | 120.1° |
| C3 | C2 | C1 | H1 | 58.9° | 180.0° |
| C2 | C3 | H2 | H3 | 118.1° | 119.7° |
| C2 | C3 | C4 | H4 | 76.5° | 169.9° |
| C2 | C3 | C4 | H5 | 163.6° | 70.2° |
| C3 | C2 | C8 | H16 | 173.8° | 179.9° |
| C6 | C5 | C4 | C3 | 149.7° | 145.1° |
| C6 | C5 | C4 | H4 | 90.3° | 25.0° |
| C6 | C5 | C4 | H5 | 29.6° | 94.7° |
| C5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C5 | C6 | H6 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C6 | C5 | C7 | H9 | 5.7° | 0.2° |
| C5 | C4 | C3 | H4 | 120.1° | 120.1° |
| C5 | C4 | C3 | H5 | 120.1° | 120.1° |
| C5 | C4 | C3 | H2 | 77.1° | 70.3° |
| C5 | C4 | C3 | H3 | 164.1° | 169.9° |
| C5 | C4 | H4 | H5 | 119.8° | 119.7° |
| C4 | C5 | C6 | H6 | 6.5° | 179.7° |
| C4 | C5 | C6 | H7 | 113.5° | 60.2° |
| C4 | C5 | C6 | H8 | 126.4° | 59.8° |
| C4 | C5 | C7 | H9 | 167.5° | 179.6° |
| C | C1 | C9 | H10 | 50.6° | 60.0° |
| C | C1 | C9 | H11 | 69.4° | 180.0° |
| C | C1 | C9 | H12 | 170.6° | 60.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 119.9° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C4 | C3 | H2 | H3 | 118.1° | 119.8° |
| C3 | C4 | H4 | H5 | 119.8° | 119.9° |
| H1 | C1 | C9 | H10 | 65.0° | 60.0° |
| H1 | C1 | C9 | H11 | 175.0° | 60.0° |
| H1 | C1 | C9 | H12 | 55.0° | 180.0° |
| H1 | C1 | C | H13 | 64.3° | 60.0° |
| H1 | C1 | C | H14 | 175.7° | 60.0° |
| H1 | C1 | C | H15 | 55.7° | 180.0° |
| H2 | C3 | C4 | H4 | 162.8° | 49.7° |
| H2 | C3 | C4 | H5 | 42.9° | 169.6° |
| H3 | C3 | C4 | H4 | 44.0° | 70.0° |
| H3 | C3 | C4 | H5 | 75.8° | 49.8° |
| H6 | C6 | H7 | H8 | 120.0° | 120.0° |
| H9 | C7 | C8 | H16 | 3.7° | 19.3° |
| H10 | C9 | H11 | H12 | 120.0° | 120.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
