M1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.31Å | 1.34Å | |
| C9 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.60Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | CL1 | sing | 1.80Å | 1.81Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| O11 | C4 | sing | 1.43Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | C10 | sing | 1.53Å | 1.48Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| O11 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C9 | 116.8° | 120.0° |
| C8 | C7 | C1 | 122.5° | 120.0° |
| C7 | C8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H10 | 120.0° | 120.0° |
| C9 | C7 | C1 | 120.3° | 120.0° |
| C7 | C9 | H11 | 109.5° | 109.5° |
| C7 | C9 | H12 | 109.5° | 109.5° |
| C7 | C9 | H13 | 109.5° | 109.4° |
| C7 | C1 | C2 | 115.4° | 109.5° |
| C7 | C1 | C6 | 108.9° | 109.5° |
| C7 | C1 | H8 | 108.1° | 109.5° |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C2 | C1 | C6 | 109.4° | 109.5° |
| C1 | C2 | H6 | 109.1° | 109.5° |
| C1 | C2 | H7 | 109.1° | 109.5° |
| C2 | C1 | H8 | 107.0° | 109.5° |
| C2 | C3 | CL1 | 106.9° | 109.5° |
| C2 | C3 | C4 | 112.1° | 109.4° |
| C2 | C3 | H5 | 109.9° | 109.5° |
| C3 | C2 | H6 | 109.1° | 109.5° |
| C3 | C2 | H7 | 109.1° | 109.5° |
| C1 | C6 | C5 | 110.2° | 109.5° |
| C1 | C6 | H1 | 109.3° | 109.5° |
| C1 | C6 | H2 | 109.3° | 109.4° |
| C6 | C1 | H8 | 107.9° | 109.4° |
| C6 | C5 | C4 | 113.0° | 109.5° |
| C5 | C6 | H1 | 109.3° | 109.5° |
| C5 | C6 | H2 | 109.3° | 109.5° |
| C6 | C5 | H3 | 108.6° | 109.5° |
| C6 | C5 | H4 | 108.6° | 109.5° |
| CL1 | C3 | C4 | 111.6° | 109.5° |
| CL1 | C3 | H5 | 106.5° | 109.5° |
| C3 | C4 | O11 | 100.9° | 109.5° |
| C3 | C4 | C5 | 112.8° | 109.5° |
| C3 | C4 | C10 | 112.3° | 109.5° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| O11 | C4 | C5 | 111.0° | 109.5° |
| O11 | C4 | C10 | 110.9° | 109.5° |
| C4 | O11 | H17 | 109.5° | 114.0° |
| C5 | C4 | C10 | 108.8° | 109.4° |
| C4 | C5 | H3 | 108.6° | 109.5° |
| C4 | C5 | H4 | 108.6° | 109.5° |
| C4 | C10 | H14 | 109.5° | 109.5° |
| C4 | C10 | H15 | 109.5° | 109.5° |
| C4 | C10 | H16 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H9 | C8 | H10 | 120.0° | 120.0° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H13 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C9 | C1 | 173.4° | 180.0° |
| C8 | C7 | C1 | C2 | 0.1° | 120.0° |
| C8 | C7 | C1 | C6 | 123.5° | 120.0° |
| C8 | C7 | C1 | H8 | 119.5° | 0.0° |
| C7 | C8 | H9 | H10 | 180.0° | 179.9° |
| C8 | C7 | C9 | H11 | 180.0° | 180.0° |
| C8 | C7 | C9 | H12 | 60.0° | 60.0° |
| C8 | C7 | C9 | H13 | 60.0° | 60.0° |
| C9 | C7 | C1 | C2 | 173.2° | 60.0° |
| C9 | C7 | C1 | C6 | 63.4° | 60.0° |
| C9 | C7 | C1 | H8 | 53.5° | 180.0° |
| C9 | C7 | C8 | H9 | 173.2° | 0.0° |
| C9 | C7 | C8 | H10 | 6.8° | 180.0° |
| C7 | C9 | H11 | H12 | 120.0° | 120.1° |
| C7 | C9 | H11 | H13 | 120.0° | 120.0° |
| C7 | C9 | H12 | H13 | 120.0° | 120.0° |
| C7 | C1 | C2 | C6 | 123.1° | 120.0° |
| C7 | C1 | C2 | H8 | 120.3° | 120.0° |
| C7 | C1 | C2 | C3 | 176.9° | 180.0° |
| C7 | C1 | C6 | H8 | 117.1° | 120.0° |
| C7 | C1 | C6 | C5 | 174.5° | 180.0° |
| C7 | C1 | C6 | H1 | 65.4° | 60.0° |
| C7 | C1 | C6 | H2 | 54.4° | 60.0° |
| C7 | C1 | C2 | H6 | 56.7° | 60.0° |
| C7 | C1 | C2 | H7 | 62.9° | 60.0° |
| C1 | C7 | C8 | H9 | 0.0° | 180.0° |
| C1 | C7 | C8 | H10 | 180.0° | 0.0° |
| C1 | C7 | C9 | H11 | 6.6° | 0.0° |
| C1 | C7 | C9 | H12 | 126.6° | 120.0° |
| C1 | C7 | C9 | H13 | 113.4° | 120.0° |
| C1 | C2 | C3 | H6 | 120.2° | 120.0° |
| C1 | C2 | C3 | H7 | 120.2° | 120.0° |
| C2 | C1 | C6 | H8 | 116.0° | 120.0° |
| C2 | C1 | C6 | C5 | 58.6° | 60.0° |
| C1 | C2 | C3 | CL1 | 67.4° | 60.0° |
| C1 | C2 | C3 | C4 | 55.2° | 60.0° |
| C2 | C1 | C6 | H1 | 61.5° | 180.0° |
| C2 | C1 | C6 | H2 | 178.7° | 60.0° |
| C1 | C2 | C3 | H5 | 177.3° | 180.0° |
| C1 | C2 | H6 | H7 | 119.4° | 120.0° |
| C3 | C2 | C1 | C6 | 60.0° | 60.0° |
| C2 | C3 | CL1 | C4 | 122.9° | 120.0° |
| C2 | C3 | CL1 | H5 | 117.5° | 120.1° |
| C2 | C3 | C4 | H5 | 122.4° | 120.0° |
| C2 | C3 | C4 | O11 | 68.1° | 60.0° |
| C2 | C3 | C4 | C5 | 50.4° | 60.0° |
| C2 | C3 | C4 | C10 | 173.8° | 180.0° |
| C3 | C2 | H6 | H7 | 119.4° | 120.0° |
| C3 | C2 | C1 | H8 | 56.6° | 60.0° |
| C1 | C6 | C5 | H1 | 120.1° | 120.0° |
| C1 | C6 | C5 | H2 | 120.1° | 120.0° |
| C1 | C6 | C5 | C4 | 54.7° | 60.0° |
| C1 | C6 | H1 | H2 | 119.7° | 120.0° |
| C1 | C6 | C5 | H3 | 175.2° | 180.0° |
| C1 | C6 | C5 | H4 | 65.8° | 60.0° |
| C6 | C1 | C2 | H6 | 179.8° | 60.0° |
| C6 | C1 | C2 | H7 | 60.2° | 180.0° |
| C6 | C5 | C4 | C3 | 49.8° | 60.0° |
| C6 | C5 | C4 | O11 | 62.6° | 60.0° |
| C6 | C5 | C4 | H3 | 120.5° | 120.0° |
| C6 | C5 | C4 | H4 | 120.5° | 120.0° |
| C6 | C5 | C4 | C10 | 175.1° | 180.0° |
| C5 | C6 | H1 | H2 | 119.7° | 120.0° |
| C6 | C5 | H3 | H4 | 118.4° | 120.0° |
| C5 | C6 | C1 | H8 | 57.4° | 60.0° |
| CL1 | C3 | C4 | H5 | 117.7° | 120.0° |
| CL1 | C3 | C4 | O11 | 172.0° | 180.0° |
| CL1 | C3 | C4 | C5 | 69.5° | 60.0° |
| CL1 | C3 | C4 | C10 | 53.8° | 59.9° |
| CL1 | C3 | C2 | H6 | 52.8° | 180.0° |
| CL1 | C3 | C2 | H7 | 172.4° | 60.0° |
| C3 | C4 | O11 | C5 | 119.7° | 120.0° |
| C3 | C4 | O11 | C10 | 119.2° | 120.0° |
| C3 | C4 | C5 | C10 | 125.3° | 120.0° |
| C3 | C4 | C5 | H3 | 170.3° | 180.0° |
| C3 | C4 | C5 | H4 | 70.7° | 60.0° |
| C4 | C3 | C2 | H6 | 175.4° | 60.0° |
| C4 | C3 | C2 | H7 | 65.0° | 180.0° |
| C3 | C4 | C10 | H14 | 180.0° | 59.9° |
| C3 | C4 | C10 | H15 | 60.0° | 60.0° |
| C3 | C4 | C10 | H16 | 60.0° | 180.0° |
| C3 | C4 | O11 | H17 | 180.0° | 60.0° |
| O11 | C4 | C5 | C10 | 122.3° | 120.0° |
| O11 | C4 | C5 | H3 | 57.9° | 60.0° |
| O11 | C4 | C5 | H4 | 176.9° | 180.0° |
| O11 | C4 | C3 | H5 | 54.3° | 60.0° |
| O11 | C4 | C10 | H14 | 67.9° | 180.0° |
| O11 | C4 | C10 | H15 | 172.1° | 60.0° |
| O11 | C4 | C10 | H16 | 52.1° | 60.0° |
| C4 | C5 | C6 | H1 | 65.4° | 180.0° |
| C4 | C5 | C6 | H2 | 174.8° | 60.0° |
| C4 | C5 | H3 | H4 | 118.4° | 120.0° |
| C5 | C4 | C3 | H5 | 172.8° | 180.0° |
| C5 | C4 | C10 | H14 | 54.5° | 60.0° |
| C5 | C4 | C10 | H15 | 65.6° | 180.0° |
| C5 | C4 | C10 | H16 | 174.5° | 60.0° |
| C5 | C4 | O11 | H17 | 60.3° | 180.0° |
| C10 | C4 | C5 | H3 | 64.4° | 60.0° |
| C10 | C4 | C5 | H4 | 54.6° | 60.0° |
| C10 | C4 | C3 | H5 | 63.9° | 60.0° |
| C4 | C10 | H14 | H15 | 120.0° | 120.0° |
| C4 | C10 | H14 | H16 | 120.0° | 120.0° |
| C4 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C4 | O11 | H17 | 60.8° | 60.0° |
| H1 | C6 | C5 | H3 | 55.1° | 60.0° |
| H1 | C6 | C5 | H4 | 174.1° | 60.0° |
| H1 | C6 | C1 | H8 | 177.5° | 60.0° |
| H2 | C6 | C5 | H3 | 64.7° | 60.1° |
| H2 | C6 | C5 | H4 | 54.3° | 180.0° |
| H2 | C6 | C1 | H8 | 62.7° | 180.0° |
| H5 | C3 | C2 | H6 | 62.5° | 60.0° |
| H5 | C3 | C2 | H7 | 57.1° | 60.0° |
| H6 | C2 | C1 | H8 | 63.6° | 180.0° |
| H7 | C2 | C1 | H8 | 176.8° | 60.0° |
| H11 | C9 | H12 | H13 | 120.0° | 120.0° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
