TN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C10 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O11 | sing | 1.36Å | 1.35Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | HG | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | HF | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | HE | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | HD1 | sing | 1.09Å | 1.10Å | |
| C7 | HD2 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | HC1 | sing | 1.09Å | 1.09Å | |
| C8 | HC2 | sing | 1.09Å | 1.09Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | HB1 | sing | 1.09Å | 1.09Å | |
| C9 | HB2 | sing | 1.09Å | 1.10Å | |
| C10 | HA1 | sing | 1.09Å | 1.10Å | |
| C10 | HA2 | sing | 1.09Å | 1.10Å | |
| O11 | HH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.4° | 119.6° |
| C2 | C1 | C10 | 119.5° | 117.8° |
| C1 | C2 | C3 | 120.7° | 120.4° |
| C1 | C2 | O11 | 121.8° | 119.8° |
| C6 | C1 | C10 | 123.1° | 122.6° |
| C1 | C6 | C5 | 122.5° | 119.7° |
| C1 | C6 | C7 | 115.8° | 122.5° |
| C1 | C10 | C9 | 119.9° | 110.6° |
| C1 | C10 | HA1 | 105.3° | 109.4° |
| C1 | C10 | HA2 | 105.3° | 109.1° |
| C3 | C2 | O11 | 117.5° | 119.8° |
| C2 | C3 | C4 | 120.3° | 119.7° |
| C2 | C3 | HG | 120.6° | 120.1° |
| C2 | O11 | HH | 125.0° | 106.8° |
| C4 | C3 | HG | 119.1° | 120.2° |
| C3 | C4 | C5 | 119.6° | 119.9° |
| C3 | C4 | HF | 120.4° | 120.1° |
| C5 | C4 | HF | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.6° |
| C4 | C5 | HE | 120.5° | 119.7° |
| C6 | C5 | HE | 120.0° | 119.7° |
| C5 | C6 | C7 | 121.7° | 117.7° |
| C6 | C7 | C8 | 114.3° | 110.6° |
| C6 | C7 | HD1 | 108.3° | 109.3° |
| C6 | C7 | HD2 | 108.4° | 109.2° |
| C8 | C7 | HD1 | 109.5° | 109.3° |
| C8 | C7 | HD2 | 109.6° | 109.3° |
| C7 | C8 | C9 | 111.3° | 108.4° |
| C7 | C8 | HC1 | 110.9° | 109.7° |
| C7 | C8 | HC2 | 110.8° | 109.7° |
| HD1 | C7 | HD2 | 106.4° | 109.2° |
| C9 | C8 | HC1 | 108.1° | 109.7° |
| C9 | C8 | HC2 | 108.1° | 109.7° |
| C8 | C9 | C10 | 110.9° | 108.4° |
| C8 | C9 | HB1 | 108.3° | 109.7° |
| C8 | C9 | HB2 | 108.0° | 109.7° |
| HC1 | C8 | HC2 | 107.5° | 109.7° |
| C10 | C9 | HB1 | 111.0° | 109.7° |
| C10 | C9 | HB2 | 110.8° | 109.6° |
| C9 | C10 | HA1 | 109.5° | 109.3° |
| C9 | C10 | HA2 | 109.6° | 109.3° |
| HB1 | C9 | HB2 | 107.6° | 109.7° |
| HA1 | C10 | HA2 | 106.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C10 | 180.0° | 179.3° |
| C1 | C2 | C3 | O11 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | HG | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.0° | 0.7° |
| C2 | C1 | C6 | C7 | 180.0° | 179.3° |
| C2 | C1 | C10 | C9 | 171.6° | 162.1° |
| C2 | C1 | C10 | HA1 | 64.5° | 41.7° |
| C2 | C1 | C10 | HA2 | 47.8° | 77.7° |
| C1 | C2 | O11 | HH | 153.9° | 90.3° |
| C6 | C1 | C2 | C3 | 0.0° | 0.7° |
| C6 | C1 | C2 | O11 | 179.9° | 179.6° |
| C1 | C6 | C5 | C4 | 0.0° | 0.3° |
| C1 | C6 | C5 | C7 | 180.0° | 180.0° |
| C1 | C6 | C5 | HE | 180.0° | 179.7° |
| C1 | C6 | C7 | C8 | 33.3° | 17.4° |
| C1 | C6 | C7 | HD1 | 89.0° | 102.9° |
| C1 | C6 | C7 | HD2 | 155.9° | 137.7° |
| C6 | C1 | C10 | C9 | 8.3° | 17.2° |
| C6 | C1 | C10 | HA1 | 115.5° | 137.6° |
| C6 | C1 | C10 | HA2 | 132.2° | 103.0° |
| C10 | C1 | C2 | C3 | 180.0° | 180.0° |
| C10 | C1 | C2 | O11 | 0.1° | 0.2° |
| C10 | C1 | C6 | C5 | 180.0° | 180.0° |
| C10 | C1 | C6 | C7 | 0.0° | 0.0° |
| C1 | C10 | C9 | C8 | 16.3° | 50.9° |
| C1 | C10 | C9 | HA1 | 121.8° | 120.5° |
| C1 | C10 | C9 | HA2 | 121.8° | 120.1° |
| C1 | C10 | C9 | HB1 | 136.8° | 68.9° |
| C1 | C10 | C9 | HB2 | 103.7° | 170.5° |
| C1 | C10 | HA1 | HA2 | 111.4° | 119.3° |
| C2 | C3 | C4 | HG | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C2 | C3 | C4 | HF | 179.9° | 179.9° |
| C3 | C2 | O11 | HH | 26.0° | 90.0° |
| O11 | C2 | C3 | C4 | 180.0° | 180.0° |
| O11 | C2 | C3 | HG | 0.1° | 0.0° |
| C3 | C4 | C5 | HF | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | HE | 180.0° | 179.9° |
| HG | C3 | C4 | C5 | 180.0° | 179.9° |
| HG | C3 | C4 | HF | 0.0° | 0.1° |
| C4 | C5 | C6 | HE | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 180.0° | 179.7° |
| HF | C4 | C5 | C6 | 180.0° | 179.9° |
| HF | C4 | C5 | HE | 0.0° | 0.1° |
| C5 | C6 | C7 | C8 | 146.7° | 162.6° |
| C5 | C6 | C7 | HD1 | 91.0° | 77.1° |
| C5 | C6 | C7 | HD2 | 24.1° | 42.3° |
| HE | C5 | C6 | C7 | 0.0° | 0.3° |
| C6 | C7 | C8 | HD1 | 121.7° | 120.3° |
| C6 | C7 | C8 | HD2 | 121.9° | 120.3° |
| C6 | C7 | HD1 | HD2 | 116.4° | 119.4° |
| C6 | C7 | C8 | C9 | 58.2° | 51.1° |
| C6 | C7 | C8 | HC1 | 62.2° | 170.8° |
| C6 | C7 | C8 | HC2 | 178.5° | 68.6° |
| C8 | C7 | HD1 | HD2 | 118.4° | 119.5° |
| C7 | C8 | C9 | HC1 | 122.0° | 119.7° |
| C7 | C8 | C9 | HC2 | 121.9° | 119.7° |
| C7 | C8 | HC1 | HC2 | 121.3° | 120.5° |
| C7 | C8 | C9 | C10 | 47.5° | 69.9° |
| C7 | C8 | C9 | HB1 | 169.6° | 49.8° |
| C7 | C8 | C9 | HB2 | 74.2° | 170.4° |
| HD1 | C7 | C8 | C9 | 63.5° | 69.2° |
| HD1 | C7 | C8 | HC1 | 176.1° | 50.6° |
| HD1 | C7 | C8 | HC2 | 56.8° | 171.1° |
| HD2 | C7 | C8 | C9 | 179.9° | 171.4° |
| HD2 | C7 | C8 | HC1 | 59.7° | 68.9° |
| HD2 | C7 | C8 | HC2 | 59.6° | 51.6° |
| C9 | C8 | HC1 | HC2 | 116.5° | 120.6° |
| C8 | C9 | C10 | HB1 | 120.5° | 119.8° |
| C8 | C9 | C10 | HB2 | 120.0° | 119.7° |
| C8 | C9 | HB1 | HB2 | 116.5° | 120.6° |
| C8 | C9 | C10 | HA1 | 138.1° | 171.4° |
| C8 | C9 | C10 | HA2 | 105.5° | 69.2° |
| HC1 | C8 | C9 | C10 | 74.5° | 170.3° |
| HC1 | C8 | C9 | HB1 | 47.5° | 69.9° |
| HC1 | C8 | C9 | HB2 | 163.8° | 50.7° |
| HC2 | C8 | C9 | C10 | 169.4° | 49.8° |
| HC2 | C8 | C9 | HB1 | 68.5° | 169.5° |
| HC2 | C8 | C9 | HB2 | 47.8° | 69.8° |
| C10 | C9 | HB1 | HB2 | 121.5° | 120.5° |
| C9 | C10 | HA1 | HA2 | 118.4° | 119.5° |
| HB1 | C9 | C10 | HA1 | 101.5° | 51.6° |
| HB1 | C9 | C10 | HA2 | 15.0° | 171.0° |
| HB2 | C9 | C10 | HA1 | 18.1° | 69.0° |
| HB2 | C9 | C10 | HA2 | 134.5° | 50.5° |
