TM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | OAU | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O4 | C4 | sing | 1.43Å | 1.47Å | |
| O5 | C1 | sing | 1.43Å | 1.45Å | |
| O1 | C1 | sing | 1.43Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.59Å | |
| C3 | C2 | sing | 1.53Å | 1.60Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 1.01Å | 1.00Å | |
| N2 | H6 | sing | 1.01Å | 1.00Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| OAU | H10 | sing | 0.97Å | 0.95Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | OAU | 107.1° | 109.5° |
| O6 | C6 | C5 | 118.1° | 109.5° |
| C6 | O6 | H11 | 109.5° | 114.0° |
| O6 | C6 | H14 | 109.1° | 109.5° |
| OAU | C6 | C5 | 105.3° | 109.4° |
| C6 | OAU | H10 | 109.5° | 114.0° |
| OAU | C6 | H14 | 109.3° | 109.5° |
| C6 | C5 | O5 | 110.8° | 109.5° |
| C6 | C5 | C4 | 109.3° | 109.5° |
| C6 | C5 | H4 | 109.8° | 109.5° |
| C5 | C6 | H14 | 107.8° | 109.5° |
| O5 | C5 | C4 | 105.7° | 109.4° |
| C5 | O5 | C1 | 114.6° | 114.1° |
| O5 | C5 | H4 | 111.1° | 109.5° |
| C5 | C4 | O4 | 109.9° | 109.6° |
| C5 | C4 | C3 | 110.8° | 109.2° |
| C5 | C4 | H2 | 109.7° | 109.5° |
| C4 | C5 | H4 | 110.1° | 109.4° |
| O4 | C4 | C3 | 105.6° | 109.5° |
| O4 | C4 | H2 | 110.5° | 109.5° |
| C4 | O4 | H3 | 109.5° | 114.0° |
| O5 | C1 | O1 | 107.3° | 109.5° |
| O5 | C1 | C2 | 116.4° | 109.4° |
| O5 | C1 | H12 | 109.8° | 109.5° |
| O1 | C1 | C2 | 105.5° | 109.4° |
| O1 | C1 | H12 | 109.6° | 109.5° |
| C1 | O1 | H13 | 109.5° | 113.9° |
| C4 | C3 | C2 | 112.3° | 109.1° |
| C4 | C3 | O3 | 108.1° | 109.6° |
| C3 | C4 | H2 | 110.3° | 109.6° |
| C4 | C3 | H8 | 106.7° | 109.6° |
| C1 | C2 | C3 | 117.1° | 109.2° |
| C1 | C2 | N2 | 112.8° | 109.5° |
| C1 | C2 | H1 | 104.1° | 109.5° |
| C2 | C1 | H12 | 108.0° | 109.5° |
| C2 | C3 | O3 | 116.7° | 109.5° |
| C3 | C2 | N2 | 112.1° | 109.5° |
| C3 | C2 | H1 | 104.1° | 109.5° |
| C2 | C3 | H8 | 105.5° | 109.5° |
| O3 | C3 | H8 | 106.9° | 109.6° |
| C3 | O3 | H9 | 109.5° | 114.0° |
| N2 | C2 | H1 | 105.2° | 109.6° |
| C2 | N2 | H5 | 109.5° | 111.0° |
| C2 | N2 | H6 | 109.5° | 111.0° |
| H5 | N2 | H6 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | OAU | C5 | 126.5° | 120.0° |
| O6 | C6 | OAU | H14 | 118.0° | 120.0° |
| O6 | C6 | C5 | H14 | 124.0° | 120.0° |
| O6 | C6 | C5 | O5 | 141.7° | 60.0° |
| O6 | C6 | C5 | C4 | 102.2° | 60.0° |
| O6 | C6 | C5 | H4 | 18.7° | 180.0° |
| O6 | C6 | OAU | H10 | 180.0° | 60.0° |
| OAU | C6 | C5 | H14 | 116.6° | 120.0° |
| OAU | C6 | C5 | O5 | 98.9° | 60.0° |
| OAU | C6 | C5 | C4 | 17.2° | 180.0° |
| OAU | C6 | C5 | H4 | 138.0° | 60.1° |
| OAU | C6 | O6 | H11 | 180.0° | 60.0° |
| C6 | C5 | O5 | C4 | 118.3° | 120.1° |
| C6 | C5 | O5 | H4 | 122.4° | 120.1° |
| C6 | C5 | C4 | H4 | 120.7° | 120.0° |
| C6 | C5 | C4 | O4 | 50.1° | 62.5° |
| C6 | C5 | O5 | C1 | 176.5° | 178.9° |
| C6 | C5 | C4 | C3 | 166.4° | 177.6° |
| C6 | C5 | C4 | H2 | 71.6° | 57.7° |
| C5 | C6 | OAU | H10 | 53.6° | 60.0° |
| C5 | C6 | O6 | H11 | 61.6° | 179.9° |
| O5 | C5 | C4 | H4 | 120.0° | 119.9° |
| O5 | C5 | C4 | O4 | 169.4° | 177.5° |
| C5 | O5 | C1 | O1 | 89.4° | 58.9° |
| O5 | C5 | C4 | C3 | 74.3° | 57.6° |
| C5 | O5 | C1 | C2 | 28.4° | 61.1° |
| O5 | C5 | C4 | H2 | 47.6° | 62.4° |
| C5 | O5 | C1 | H12 | 151.6° | 178.9° |
| O5 | C5 | C6 | H14 | 17.7° | 180.0° |
| C5 | C4 | O4 | C3 | 119.5° | 119.7° |
| C5 | C4 | O4 | H2 | 121.3° | 120.1° |
| C4 | C5 | O5 | C1 | 65.2° | 61.1° |
| C5 | C4 | C3 | H2 | 121.6° | 119.9° |
| C5 | C4 | C3 | C2 | 43.9° | 57.0° |
| C5 | C4 | C3 | O3 | 174.0° | 176.8° |
| C5 | C4 | O4 | H3 | 180.0° | 60.3° |
| C5 | C4 | C3 | H8 | 71.3° | 62.9° |
| C4 | C5 | C6 | H14 | 133.8° | 60.0° |
| O4 | C4 | C3 | H2 | 119.4° | 120.1° |
| O4 | C4 | C3 | C2 | 162.8° | 177.0° |
| O4 | C4 | C3 | O3 | 67.1° | 63.2° |
| O4 | C4 | C5 | H4 | 70.6° | 57.6° |
| O4 | C4 | C3 | H8 | 47.6° | 57.0° |
| O5 | C1 | O1 | C2 | 124.7° | 119.9° |
| O5 | C1 | O1 | H12 | 119.2° | 120.1° |
| O5 | C1 | C2 | H12 | 124.0° | 120.0° |
| O5 | C1 | C2 | C3 | 1.5° | 57.6° |
| O5 | C1 | C2 | N2 | 133.8° | 62.3° |
| O5 | C1 | C2 | H1 | 112.7° | 177.5° |
| C1 | O5 | C5 | H4 | 54.2° | 58.8° |
| O5 | C1 | O1 | H13 | 180.0° | 60.0° |
| O1 | C1 | C2 | H12 | 117.1° | 120.0° |
| O1 | C1 | C2 | C3 | 120.4° | 62.4° |
| O1 | C1 | C2 | N2 | 107.4° | 177.8° |
| O1 | C1 | C2 | H1 | 6.1° | 57.6° |
| C4 | C3 | C2 | C1 | 7.3° | 57.0° |
| C4 | C3 | C2 | O3 | 125.6° | 119.9° |
| C4 | C3 | C2 | H8 | 115.9° | 120.0° |
| C4 | C3 | O3 | H8 | 114.6° | 120.3° |
| C4 | C3 | C2 | N2 | 125.3° | 62.9° |
| C4 | C3 | C2 | H1 | 121.6° | 177.0° |
| C3 | C4 | O4 | H3 | 60.5° | 180.0° |
| C3 | C4 | C5 | H4 | 45.7° | 62.3° |
| C4 | C3 | O3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | N2 | 132.6° | 119.9° |
| C1 | C2 | C3 | H1 | 114.3° | 119.9° |
| C1 | C2 | C3 | O3 | 132.9° | 176.9° |
| C1 | C2 | N2 | H1 | 112.8° | 120.2° |
| C1 | C2 | N2 | H5 | 180.0° | 60.2° |
| C1 | C2 | N2 | H6 | 60.0° | 175.9° |
| C1 | C2 | C3 | H8 | 108.6° | 62.9° |
| C2 | C1 | O1 | H13 | 55.2° | 180.0° |
| C2 | C3 | O3 | H8 | 117.8° | 120.2° |
| C3 | C2 | N2 | H1 | 112.4° | 120.1° |
| C2 | C3 | C4 | H2 | 77.8° | 62.9° |
| C3 | C2 | N2 | H5 | 45.3° | 179.9° |
| C3 | C2 | N2 | H6 | 74.7° | 56.2° |
| C2 | C3 | O3 | H9 | 52.3° | 60.5° |
| C3 | C2 | C1 | H12 | 122.5° | 177.6° |
| O3 | C3 | C2 | N2 | 0.3° | 57.0° |
| O3 | C3 | C2 | H1 | 112.8° | 63.2° |
| O3 | C3 | C4 | H2 | 52.3° | 56.9° |
| C2 | N2 | H5 | H6 | 120.0° | 123.9° |
| N2 | C2 | C3 | H8 | 118.8° | 177.2° |
| N2 | C2 | C1 | H12 | 9.8° | 57.7° |
| H1 | C2 | N2 | H5 | 67.2° | 60.0° |
| H1 | C2 | N2 | H6 | 172.8° | 63.9° |
| H1 | C2 | C3 | H8 | 5.7° | 57.0° |
| H1 | C2 | C1 | H12 | 123.2° | 62.5° |
| H2 | C4 | O4 | H3 | 58.7° | 59.8° |
| H2 | C4 | C5 | H4 | 167.6° | 177.7° |
| H2 | C4 | C3 | H8 | 167.0° | 177.2° |
| H4 | C5 | C6 | H14 | 105.4° | 60.0° |
| H8 | C3 | O3 | H9 | 65.4° | 59.7° |
| H10 | OAU | C6 | H14 | 62.0° | 180.0° |
| H11 | O6 | C6 | H14 | 61.8° | 60.1° |
| H12 | C1 | O1 | H13 | 60.8° | 60.0° |
