TV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL09 | C08 | sing | 1.74Å | 1.78Å | |
| N03 | C02 | sing | 1.47Å | 1.45Å | |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C08 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O05 | C06 | sing | 1.36Å | 1.40Å | |
| O05 | C04 | sing | 1.43Å | 1.40Å | |
| C06 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | CL12 | sing | 1.74Å | 1.77Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| N03 | H10 | sing | 1.01Å | 1.00Å | |
| N03 | H11 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL09 | C08 | C07 | 120.5° | 120.0° |
| CL09 | C08 | C10 | 119.3° | 119.9° |
| N03 | C02 | C01 | 110.1° | 109.4° |
| N03 | C02 | C04 | 109.6° | 109.4° |
| N03 | C02 | H6 | 108.9° | 109.5° |
| C02 | N03 | H10 | 109.5° | 111.1° |
| C02 | N03 | H11 | 109.4° | 110.9° |
| C08 | C07 | C06 | 119.7° | 119.9° |
| C07 | C08 | C10 | 120.2° | 120.1° |
| C08 | C07 | H9 | 120.2° | 120.0° |
| C07 | C06 | O05 | 119.5° | 120.0° |
| C07 | C06 | C13 | 120.2° | 119.9° |
| C06 | C07 | H9 | 120.2° | 120.0° |
| C01 | C02 | C04 | 112.4° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C01 | C02 | H6 | 107.9° | 109.5° |
| C02 | C04 | O05 | 106.9° | 109.5° |
| C04 | C02 | H6 | 107.9° | 109.5° |
| C02 | C04 | H7 | 110.1° | 109.5° |
| C02 | C04 | H8 | 110.1° | 109.5° |
| C08 | C10 | C11 | 120.0° | 120.0° |
| C08 | C10 | H1 | 120.0° | 120.0° |
| C06 | O05 | C04 | 116.0° | 117.0° |
| O05 | C06 | C13 | 120.3° | 120.0° |
| O05 | C04 | H7 | 110.1° | 109.4° |
| O05 | C04 | H8 | 110.1° | 109.5° |
| C06 | C13 | C11 | 119.2° | 120.0° |
| C06 | C13 | H2 | 120.4° | 120.0° |
| C10 | C11 | C13 | 120.7° | 120.0° |
| C10 | C11 | CL12 | 117.4° | 120.0° |
| C11 | C10 | H1 | 120.0° | 119.9° |
| C13 | C11 | CL12 | 121.9° | 120.0° |
| C11 | C13 | H2 | 120.4° | 120.0° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H10 | N03 | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL09 | C08 | C07 | C10 | 180.0° | 180.0° |
| CL09 | C08 | C07 | C06 | 179.8° | 179.4° |
| CL09 | C08 | C10 | C11 | 179.6° | 180.0° |
| CL09 | C08 | C10 | H1 | 0.4° | 0.3° |
| CL09 | C08 | C07 | H9 | 0.2° | 0.0° |
| N03 | C02 | C01 | C04 | 122.5° | 119.9° |
| N03 | C02 | C01 | H6 | 118.7° | 120.0° |
| N03 | C02 | C04 | H6 | 118.4° | 120.0° |
| N03 | C02 | C04 | O05 | 68.5° | 64.9° |
| N03 | C02 | C01 | H3 | 180.0° | 180.0° |
| N03 | C02 | C01 | H4 | 60.0° | 60.1° |
| N03 | C02 | C01 | H5 | 60.0° | 60.0° |
| N03 | C02 | C04 | H7 | 171.9° | 55.1° |
| N03 | C02 | C04 | H8 | 51.1° | 175.0° |
| C02 | N03 | H10 | H11 | 120.0° | 123.9° |
| C08 | C07 | C06 | H9 | 180.0° | 179.4° |
| C08 | C07 | C06 | O05 | 179.5° | 179.8° |
| C08 | C07 | C06 | C13 | 0.2° | 0.9° |
| C07 | C08 | C10 | C11 | 0.5° | 0.0° |
| C07 | C08 | C10 | H1 | 179.5° | 179.7° |
| C06 | C07 | C08 | C10 | 0.3° | 0.6° |
| C07 | C06 | O05 | C13 | 179.3° | 179.4° |
| C07 | C06 | O05 | C04 | 114.8° | 0.6° |
| C07 | C06 | C13 | C11 | 0.5° | 0.6° |
| C07 | C06 | C13 | H2 | 179.6° | 179.5° |
| C01 | C02 | C04 | H6 | 118.8° | 120.1° |
| C01 | C02 | C04 | O05 | 168.7° | 55.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C01 | C02 | C04 | H7 | 49.1° | 175.0° |
| C01 | C02 | C04 | H8 | 71.7° | 65.1° |
| C01 | C02 | N03 | H10 | 180.0° | 63.9° |
| C01 | C02 | N03 | H11 | 60.0° | 60.1° |
| C02 | C04 | O05 | C06 | 137.7° | 180.0° |
| C02 | C04 | O05 | H7 | 119.6° | 120.0° |
| C02 | C04 | O05 | H8 | 119.6° | 120.0° |
| C04 | C02 | C01 | H3 | 57.5° | 60.1° |
| C04 | C02 | C01 | H4 | 177.5° | 180.0° |
| C04 | C02 | C01 | H5 | 62.5° | 59.9° |
| C02 | C04 | H7 | H8 | 121.2° | 120.0° |
| C04 | C02 | N03 | H10 | 55.9° | 56.0° |
| C04 | C02 | N03 | H11 | 64.1° | 180.0° |
| C08 | C10 | C11 | H1 | 180.0° | 179.7° |
| C08 | C10 | C11 | C13 | 0.7° | 0.2° |
| C08 | C10 | C11 | CL12 | 179.7° | 179.7° |
| C10 | C08 | C07 | H9 | 179.8° | 180.0° |
| O05 | C06 | C13 | C11 | 179.7° | 180.0° |
| O05 | C06 | C13 | H2 | 0.3° | 0.1° |
| C06 | O05 | C04 | H7 | 18.2° | 60.0° |
| C06 | O05 | C04 | H8 | 102.7° | 59.9° |
| O05 | C06 | C07 | H9 | 0.5° | 0.3° |
| C04 | O05 | C06 | C13 | 66.0° | 180.0° |
| O05 | C04 | C02 | H6 | 49.9° | 175.0° |
| O05 | C04 | H7 | H8 | 121.2° | 120.0° |
| C06 | C13 | C11 | C10 | 0.7° | 0.1° |
| C06 | C13 | C11 | H2 | 180.0° | 179.9° |
| C06 | C13 | C11 | CL12 | 179.6° | 180.0° |
| C13 | C06 | C07 | H9 | 179.8° | 179.7° |
| C10 | C11 | C13 | CL12 | 178.9° | 179.9° |
| C10 | C11 | C13 | H2 | 179.4° | 180.0° |
| C13 | C11 | C10 | H1 | 179.3° | 179.9° |
| CL12 | C11 | C10 | H1 | 0.3° | 0.0° |
| CL12 | C11 | C13 | H2 | 0.4° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | C02 | H6 | 61.3° | 60.0° |
| H4 | C01 | C02 | H6 | 58.7° | 60.0° |
| H5 | C01 | C02 | H6 | 178.7° | 180.0° |
| H6 | C02 | C04 | H7 | 69.7° | 65.0° |
| H6 | C02 | C04 | H8 | 169.5° | 55.0° |
| H6 | C02 | N03 | H10 | 61.9° | 176.0° |
| H6 | C02 | N03 | H11 | 178.1° | 60.0° |
