T9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | doub | 1.31Å | 1.29Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O1 | 109.6° | 109.5° |
| C1 | C2 | C3 | 113.2° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C1 | C2 | H4 | 107.9° | 109.5° |
| O1 | C2 | C3 | 109.4° | 109.5° |
| O1 | C2 | H4 | 109.0° | 109.5° |
| C2 | O1 | H5 | 109.5° | 114.0° |
| C2 | C3 | N1 | 109.5° | 109.5° |
| C2 | C3 | C6 | 112.5° | 109.5° |
| C3 | C2 | H4 | 107.6° | 109.4° |
| C2 | C3 | H6 | 108.2° | 109.5° |
| C3 | N1 | C4 | 123.7° | 119.9° |
| N1 | C3 | C6 | 108.9° | 109.5° |
| C3 | N1 | H7 | 118.1° | 120.0° |
| N1 | C3 | H6 | 109.3° | 109.5° |
| N1 | C4 | C5 | 116.4° | 120.0° |
| N1 | C4 | O2 | 122.1° | 120.1° |
| C4 | N1 | H7 | 118.2° | 120.1° |
| C5 | C4 | O2 | 121.4° | 120.0° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.4° |
| C3 | C6 | O3 | 119.1° | 120.0° |
| C3 | C6 | N2 | 118.0° | 120.0° |
| C6 | C3 | H6 | 108.3° | 109.4° |
| O3 | C6 | N2 | 122.9° | 120.0° |
| C6 | N2 | C7 | 122.7° | 120.0° |
| C6 | N2 | H11 | 118.7° | 120.0° |
| N2 | C7 | C8 | 114.4° | 109.5° |
| N2 | C7 | H13 | 108.2° | 109.5° |
| N2 | C7 | H12 | 108.2° | 109.5° |
| C7 | N2 | H11 | 118.6° | 120.0° |
| C7 | C8 | C9 | 119.6° | 120.0° |
| C8 | C7 | H13 | 108.2° | 109.5° |
| C8 | C7 | H12 | 108.2° | 109.5° |
| C7 | C8 | H14 | 120.2° | 120.0° |
| C9 | C8 | H14 | 120.2° | 120.0° |
| C8 | C9 | H16 | 120.0° | 120.0° |
| C8 | C9 | H15 | 120.0° | 120.0° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H8 | 109.5° | 109.5° |
| H10 | C5 | H8 | 109.5° | 109.4° |
| H13 | C7 | H12 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H16 | C9 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | C3 | 124.6° | 120.0° |
| C1 | C2 | O1 | H4 | 118.0° | 120.0° |
| C1 | C2 | C3 | H4 | 119.1° | 119.9° |
| C1 | C2 | C3 | N1 | 67.5° | 64.5° |
| C1 | C2 | C3 | C6 | 171.2° | 175.5° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 51.6° | 55.5° |
| C1 | C2 | O1 | H5 | 180.0° | 174.0° |
| O1 | C2 | C3 | H4 | 118.3° | 120.1° |
| O1 | C2 | C3 | N1 | 170.0° | 175.5° |
| O1 | C2 | C3 | C6 | 48.7° | 55.5° |
| O1 | C2 | C1 | H3 | 180.0° | 60.0° |
| O1 | C2 | C1 | H1 | 60.0° | 180.0° |
| O1 | C2 | C1 | H2 | 60.0° | 60.0° |
| O1 | C2 | C3 | H6 | 71.0° | 64.5° |
| C2 | C3 | N1 | C6 | 123.5° | 120.0° |
| C2 | C3 | N1 | H6 | 118.3° | 120.0° |
| C2 | C3 | N1 | C4 | 96.8° | 85.0° |
| C2 | C3 | C6 | H6 | 119.5° | 120.0° |
| C2 | C3 | C6 | O3 | 83.5° | 93.0° |
| C2 | C3 | C6 | N2 | 97.1° | 87.0° |
| C2 | C3 | N1 | H7 | 83.3° | 95.2° |
| C3 | C2 | C1 | H3 | 57.6° | 180.0° |
| C3 | C2 | C1 | H1 | 62.5° | 60.0° |
| C3 | C2 | C1 | H2 | 177.6° | 60.0° |
| C3 | C2 | O1 | H5 | 55.4° | 66.0° |
| C3 | N1 | C4 | H7 | 180.0° | 179.8° |
| C3 | N1 | C4 | C5 | 174.8° | 179.7° |
| C3 | N1 | C4 | O2 | 5.7° | 0.2° |
| N1 | C3 | C6 | H6 | 118.8° | 120.0° |
| N1 | C3 | C6 | O3 | 38.2° | 27.0° |
| N1 | C3 | C6 | N2 | 141.2° | 153.0° |
| N1 | C3 | C2 | H4 | 51.7° | 55.4° |
| N1 | C4 | C5 | O2 | 179.5° | 180.0° |
| C4 | N1 | C3 | C6 | 139.7° | 155.0° |
| N1 | C4 | C5 | H9 | 179.5° | 59.9° |
| N1 | C4 | C5 | H10 | 60.5° | 180.0° |
| N1 | C4 | C5 | H8 | 59.5° | 60.0° |
| C4 | N1 | C3 | H6 | 21.6° | 35.0° |
| C5 | C4 | N1 | H7 | 5.3° | 0.0° |
| C4 | C5 | H9 | H10 | 120.0° | 120.1° |
| C4 | C5 | H9 | H8 | 120.0° | 120.0° |
| C4 | C5 | H10 | H8 | 120.0° | 120.0° |
| O2 | C4 | N1 | H7 | 174.2° | 180.0° |
| O2 | C4 | C5 | H9 | 0.0° | 120.0° |
| O2 | C4 | C5 | H10 | 120.0° | 0.1° |
| O2 | C4 | C5 | H8 | 120.0° | 120.0° |
| C3 | C6 | O3 | N2 | 179.4° | 180.0° |
| C3 | C6 | N2 | C7 | 178.3° | 175.1° |
| C6 | C3 | N1 | H7 | 40.2° | 24.8° |
| C6 | C3 | C2 | H4 | 69.7° | 64.6° |
| C3 | C6 | N2 | H11 | 1.7° | 4.9° |
| O3 | C6 | N2 | C7 | 1.1° | 4.9° |
| O3 | C6 | C3 | H6 | 157.0° | 147.0° |
| O3 | C6 | N2 | H11 | 178.9° | 175.1° |
| C6 | N2 | C7 | H11 | 180.0° | 180.0° |
| C6 | N2 | C7 | C8 | 106.5° | 180.0° |
| C6 | N2 | C7 | H13 | 14.2° | 60.0° |
| C6 | N2 | C7 | H12 | 132.8° | 60.0° |
| N2 | C6 | C3 | H6 | 22.4° | 33.0° |
| N2 | C7 | C8 | H13 | 120.7° | 120.0° |
| N2 | C7 | C8 | H12 | 120.7° | 120.1° |
| N2 | C7 | C8 | C9 | 12.7° | 125.0° |
| N2 | C7 | H13 | H12 | 117.7° | 120.0° |
| N2 | C7 | C8 | H14 | 167.3° | 55.0° |
| C7 | C8 | C9 | H14 | 180.0° | 180.0° |
| C8 | C7 | H13 | H12 | 117.7° | 120.0° |
| C7 | C8 | C9 | H16 | 180.0° | 179.9° |
| C7 | C8 | C9 | H15 | 0.0° | 0.0° |
| C8 | C7 | N2 | H11 | 73.5° | 0.0° |
| C9 | C8 | C7 | H13 | 133.4° | 115.0° |
| C9 | C8 | C7 | H12 | 108.0° | 5.0° |
| C8 | C9 | H16 | H15 | 180.0° | 179.9° |
| H7 | N1 | C3 | H6 | 158.4° | 144.7° |
| H9 | C5 | H10 | H8 | 120.0° | 120.0° |
| H13 | C7 | C8 | H14 | 46.6° | 65.0° |
| H13 | C7 | N2 | H11 | 165.8° | 120.0° |
| H12 | C7 | C8 | H14 | 72.0° | 175.0° |
| H12 | C7 | N2 | H11 | 47.2° | 120.0° |
| H14 | C8 | C9 | H16 | 0.0° | 0.1° |
| H14 | C8 | C9 | H15 | 180.0° | 180.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.1° |
| H3 | C1 | C2 | H4 | 61.3° | 60.1° |
| H1 | C1 | C2 | H4 | 178.6° | 59.9° |
| H2 | C1 | C2 | H4 | 58.6° | 179.9° |
| H4 | C2 | C3 | H6 | 170.7° | 175.5° |
| H4 | C2 | O1 | H5 | 62.1° | 53.9° |
