TM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| O | N2 | sing | 1.21Å | 1.42Å | Aromatic |
| O | C2 | sing | 1.34Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| N2 | C3 | doub | 1.30Å | 1.30Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.29Å | Aromatic |
| C3 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 111.5° | 109.5° |
| C | C1 | N | 108.6° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.5° |
| C | C1 | H13 | 107.7° | 109.5° |
| N2 | O | C2 | 106.1° | 109.8° |
| O | N2 | C3 | 103.1° | 110.2° |
| O | C2 | C1 | 118.0° | 126.5° |
| O | C2 | N1 | 113.2° | 106.9° |
| C2 | C1 | N | 112.5° | 109.4° |
| C1 | C2 | N1 | 128.7° | 126.6° |
| C2 | C1 | H13 | 107.9° | 109.4° |
| C1 | N | H7 | 109.5° | 110.9° |
| C1 | N | H8 | 109.5° | 111.0° |
| N | C1 | H13 | 108.4° | 109.5° |
| N2 | C3 | N1 | 114.8° | 107.4° |
| N2 | C3 | C4 | 123.3° | 126.3° |
| C2 | N1 | C3 | 102.8° | 105.6° |
| N1 | C3 | C4 | 121.7° | 126.3° |
| C3 | C4 | C5 | 114.0° | 109.5° |
| C3 | C4 | H1 | 108.3° | 109.5° |
| C3 | C4 | H2 | 108.3° | 109.5° |
| C4 | C5 | C6 | 120.8° | 120.0° |
| C4 | C5 | C10 | 120.8° | 120.0° |
| C5 | C4 | H1 | 108.3° | 109.5° |
| C5 | C4 | H2 | 108.3° | 109.5° |
| C6 | C5 | C10 | 118.4° | 120.0° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C5 | C6 | H3 | 119.6° | 120.0° |
| C5 | C10 | C9 | 120.8° | 120.0° |
| C5 | C10 | H6 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.2° | 120.0° |
| C7 | C6 | H3 | 119.7° | 120.0° |
| C6 | C7 | H4 | 119.9° | 120.0° |
| C10 | C9 | C8 | 120.2° | 120.0° |
| C9 | C10 | H6 | 119.6° | 120.0° |
| C10 | C9 | H14 | 119.9° | 120.0° |
| C7 | C8 | C9 | 119.8° | 120.0° |
| C8 | C7 | H4 | 119.9° | 120.0° |
| C7 | C8 | H5 | 120.1° | 120.0° |
| C9 | C8 | H5 | 120.1° | 120.0° |
| C8 | C9 | H14 | 119.9° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H7 | N | H8 | 109.5° | 111.0° |
| H10 | C | H11 | 109.4° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O | 37.8° | 75.0° |
| C | C1 | C2 | N | 122.3° | 120.0° |
| C | C1 | C2 | H13 | 118.1° | 120.0° |
| C | C1 | N | H13 | 116.7° | 120.1° |
| C | C1 | C2 | N1 | 136.7° | 105.0° |
| C | C1 | N | H7 | 180.0° | 60.1° |
| C | C1 | N | H8 | 60.0° | 63.9° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| N2 | O | C2 | C1 | 174.0° | 180.0° |
| N2 | O | C2 | N1 | 1.4° | 0.0° |
| O | N2 | C3 | N1 | 1.1° | 0.0° |
| O | N2 | C3 | C4 | 174.2° | 179.9° |
| O | C2 | C1 | N1 | 174.6° | 180.0° |
| O | C2 | C1 | N | 160.1° | 45.0° |
| C2 | O | N2 | C3 | 0.1° | 0.0° |
| O | C2 | N1 | C3 | 2.0° | 0.0° |
| O | C2 | C1 | H13 | 80.3° | 165.0° |
| C2 | C1 | N | H13 | 119.3° | 119.9° |
| C1 | C2 | N1 | C3 | 172.8° | 180.0° |
| C2 | C1 | N | H7 | 56.0° | 180.0° |
| C2 | C1 | N | H8 | 176.0° | 56.1° |
| C2 | C1 | C | H10 | 180.0° | 60.0° |
| C2 | C1 | C | H11 | 60.0° | 180.0° |
| C2 | C1 | C | H12 | 60.0° | 60.0° |
| N | C1 | C2 | N1 | 14.4° | 135.0° |
| C1 | N | H7 | H8 | 120.0° | 123.9° |
| N | C1 | C | H10 | 55.5° | 59.9° |
| N | C1 | C | H11 | 175.5° | 60.0° |
| N | C1 | C | H12 | 64.5° | 180.0° |
| N2 | C3 | N1 | C2 | 1.9° | 0.0° |
| N2 | C3 | N1 | C4 | 175.4° | 179.9° |
| N2 | C3 | C4 | C5 | 115.3° | 89.9° |
| N2 | C3 | C4 | H1 | 124.0° | 150.0° |
| N2 | C3 | C4 | H2 | 5.4° | 30.1° |
| C2 | N1 | C3 | C4 | 173.4° | 179.9° |
| N1 | C2 | C1 | H13 | 105.2° | 15.1° |
| N1 | C3 | C4 | C5 | 69.7° | 90.0° |
| N1 | C3 | C4 | H1 | 50.9° | 30.1° |
| N1 | C3 | C4 | H2 | 169.6° | 150.0° |
| C3 | C4 | C5 | H1 | 120.7° | 120.0° |
| C3 | C4 | C5 | H2 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 70.7° | 90.0° |
| C3 | C4 | C5 | C10 | 107.6° | 90.2° |
| C3 | C4 | H1 | H2 | 117.9° | 119.9° |
| C4 | C5 | C6 | C10 | 178.3° | 179.8° |
| C4 | C5 | C6 | C7 | 177.6° | 180.0° |
| C4 | C5 | C10 | C9 | 178.1° | 179.8° |
| C5 | C4 | H1 | H2 | 117.9° | 120.0° |
| C4 | C5 | C6 | H3 | 2.4° | 0.0° |
| C4 | C5 | C10 | H6 | 1.9° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C10 | C9 | 0.2° | 0.5° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | C5 | C4 | H1 | 168.6° | 150.0° |
| C6 | C5 | C4 | H2 | 49.9° | 30.1° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| C6 | C5 | C10 | H6 | 179.8° | 179.7° |
| C10 | C5 | C6 | C7 | 0.8° | 0.2° |
| C5 | C10 | C9 | H6 | 180.0° | 179.8° |
| C5 | C10 | C9 | C8 | 0.6° | 0.5° |
| C10 | C5 | C4 | H1 | 13.1° | 29.8° |
| C10 | C5 | C4 | H2 | 131.8° | 149.7° |
| C10 | C5 | C6 | H3 | 179.2° | 179.7° |
| C5 | C10 | C9 | H14 | 179.4° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | H5 | 179.6° | 180.0° |
| C10 | C9 | C8 | C7 | 0.9° | 0.2° |
| C10 | C9 | C8 | H14 | 180.0° | 179.6° |
| C10 | C9 | C8 | H5 | 179.1° | 179.8° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 179.5° | 180.0° |
| C7 | C8 | C9 | H14 | 179.1° | 179.8° |
| C9 | C8 | C7 | H4 | 179.6° | 180.0° |
| C8 | C9 | C10 | H6 | 179.4° | 179.7° |
| H3 | C6 | C7 | H4 | 0.5° | 0.1° |
| H4 | C7 | C8 | H5 | 0.4° | 0.0° |
| H5 | C8 | C9 | H14 | 0.9° | 0.2° |
| H6 | C10 | C9 | H14 | 0.6° | 0.2° |
| H7 | N | C1 | H13 | 63.3° | 60.0° |
| H8 | N | C1 | H13 | 56.7° | 176.0° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H10 | C | C1 | H13 | 61.7° | 180.0° |
| H11 | C | C1 | H13 | 58.3° | 60.1° |
| H12 | C | C1 | H13 | 178.3° | 59.9° |
