TU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL12 | C06 | sing | 1.74Å | 1.78Å | |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C26 | sing | 1.51Å | 1.53Å | |
| C15 | O18 | sing | 1.43Å | 1.39Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | O18 | sing | 1.43Å | 1.39Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | sing | 1.47Å | 1.47Å | |
| N13 | C20 | sing | 1.47Å | 1.46Å | |
| N13 | C11 | sing | 1.35Å | 1.46Å | |
| O25 | C11 | doub | 1.22Å | 1.18Å | |
| C11 | C05 | sing | 1.48Å | 1.54Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | CL08 | sing | 1.74Å | 1.78Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL12 | C06 | C01 | 119.9° | 120.1° |
| CL12 | C06 | C05 | 119.9° | 120.1° |
| C31 | C32 | C26 | 120.2° | 120.0° |
| C32 | C31 | C30 | 119.9° | 120.0° |
| C32 | C31 | H14 | 120.0° | 120.0° |
| C31 | C32 | H15 | 119.9° | 120.0° |
| C32 | C26 | C15 | 119.8° | 120.0° |
| C32 | C26 | C28 | 119.9° | 120.0° |
| C26 | C32 | H15 | 119.9° | 120.0° |
| C31 | C30 | C29 | 120.0° | 120.0° |
| C31 | C30 | H13 | 120.0° | 120.1° |
| C30 | C31 | H14 | 120.1° | 120.0° |
| C26 | C15 | O18 | 110.1° | 109.5° |
| C26 | C15 | C14 | 110.1° | 109.5° |
| C15 | C26 | C28 | 120.3° | 120.0° |
| C26 | C15 | H3 | 108.6° | 109.5° |
| O18 | C15 | C14 | 108.7° | 109.2° |
| C15 | O18 | C19 | 109.7° | 114.2° |
| O18 | C15 | H3 | 110.6° | 109.6° |
| C15 | C14 | N13 | 110.5° | 108.4° |
| C15 | C14 | H1 | 109.2° | 109.7° |
| C15 | C14 | H2 | 109.2° | 109.7° |
| C14 | C15 | H3 | 108.7° | 109.5° |
| C26 | C28 | C29 | 120.0° | 120.0° |
| C26 | C28 | H11 | 120.0° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C30 | C29 | H12 | 120.0° | 120.0° |
| C29 | C30 | H13 | 120.0° | 120.0° |
| C01 | C06 | C05 | 120.2° | 119.8° |
| C06 | C01 | C02 | 119.9° | 120.2° |
| C06 | C01 | H4 | 120.0° | 119.9° |
| C06 | C05 | C11 | 119.7° | 120.1° |
| C06 | C05 | C04 | 119.9° | 119.7° |
| C01 | C02 | CL08 | 119.8° | 119.9° |
| C01 | C02 | C03 | 120.1° | 120.3° |
| C02 | C01 | H4 | 120.1° | 119.9° |
| O18 | C19 | C20 | 111.4° | 109.2° |
| O18 | C19 | H7 | 109.0° | 109.5° |
| O18 | C19 | H8 | 109.0° | 109.5° |
| C19 | C20 | N13 | 112.4° | 108.4° |
| C20 | C19 | H7 | 109.0° | 109.5° |
| C20 | C19 | H8 | 109.0° | 109.5° |
| C19 | C20 | H9 | 108.7° | 109.7° |
| C19 | C20 | H10 | 108.7° | 109.7° |
| C14 | N13 | C20 | 121.6° | 118.1° |
| C14 | N13 | C11 | 118.6° | 120.9° |
| N13 | C14 | H1 | 109.2° | 109.7° |
| N13 | C14 | H2 | 109.2° | 109.6° |
| C20 | N13 | C11 | 119.8° | 121.0° |
| N13 | C20 | H9 | 108.7° | 109.7° |
| N13 | C20 | H10 | 108.7° | 109.7° |
| N13 | C11 | O25 | 119.4° | 120.0° |
| N13 | C11 | C05 | 121.2° | 120.0° |
| O25 | C11 | C05 | 119.3° | 120.0° |
| C11 | C05 | C04 | 120.3° | 120.2° |
| C29 | C28 | H11 | 120.0° | 120.0° |
| C28 | C29 | H12 | 120.0° | 120.0° |
| C05 | C04 | C03 | 119.8° | 119.9° |
| C05 | C04 | H6 | 120.1° | 120.1° |
| CL08 | C02 | C03 | 120.1° | 119.9° |
| C02 | C03 | C04 | 120.1° | 120.2° |
| C02 | C03 | H5 | 120.0° | 119.9° |
| C04 | C03 | H5 | 119.9° | 119.9° |
| C03 | C04 | H6 | 120.1° | 120.1° |
| H1 | C14 | H2 | 109.4° | 109.7° |
| H7 | C19 | H8 | 109.5° | 109.6° |
| H9 | C20 | H10 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL12 | C06 | C01 | C05 | 179.6° | 179.5° |
| CL12 | C06 | C01 | C02 | 179.9° | 180.0° |
| CL12 | C06 | C05 | C11 | 0.6° | 0.2° |
| CL12 | C06 | C05 | C04 | 179.8° | 180.0° |
| CL12 | C06 | C01 | H4 | 0.1° | 0.3° |
| C31 | C32 | C26 | H15 | 180.0° | 179.4° |
| C32 | C31 | C30 | H14 | 180.0° | 179.9° |
| C31 | C32 | C26 | C15 | 180.0° | 179.7° |
| C31 | C32 | C26 | C28 | 0.2° | 0.5° |
| C32 | C31 | C30 | C29 | 0.1° | 0.2° |
| C32 | C31 | C30 | H13 | 179.9° | 179.8° |
| C26 | C32 | C31 | C30 | 0.2° | 0.5° |
| C32 | C26 | C15 | C28 | 179.8° | 179.7° |
| C32 | C26 | C15 | O18 | 146.6° | 39.7° |
| C32 | C26 | C15 | C14 | 93.6° | 80.0° |
| C32 | C26 | C28 | C29 | 0.1° | 0.3° |
| C32 | C26 | C15 | H3 | 25.3° | 159.9° |
| C32 | C26 | C28 | H11 | 179.9° | 179.7° |
| C26 | C32 | C31 | H14 | 179.9° | 179.7° |
| C31 | C30 | C29 | H13 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.1° | 0.1° |
| C31 | C30 | C29 | H12 | 179.9° | 180.0° |
| C30 | C31 | C32 | H15 | 179.8° | 179.9° |
| C26 | C15 | O18 | C14 | 120.7° | 119.9° |
| C26 | C15 | O18 | H3 | 120.1° | 120.1° |
| C26 | C15 | C14 | H3 | 118.9° | 120.1° |
| C26 | C15 | O18 | C19 | 167.3° | 177.5° |
| C26 | C15 | C14 | N13 | 170.3° | 172.2° |
| C15 | C26 | C28 | C29 | 179.9° | 180.0° |
| C26 | C15 | C14 | H1 | 69.6° | 68.1° |
| C26 | C15 | C14 | H2 | 50.1° | 52.5° |
| C15 | C26 | C28 | H11 | 0.1° | 0.0° |
| C15 | C26 | C32 | H15 | 0.0° | 0.3° |
| O18 | C15 | C14 | H3 | 120.4° | 120.0° |
| O18 | C15 | C26 | C28 | 33.2° | 140.0° |
| C15 | O18 | C19 | C20 | 66.7° | 62.6° |
| O18 | C15 | C14 | N13 | 49.6° | 52.3° |
| O18 | C15 | C14 | H1 | 169.8° | 172.0° |
| O18 | C15 | C14 | H2 | 70.6° | 67.4° |
| C15 | O18 | C19 | H7 | 173.0° | 57.3° |
| C15 | O18 | C19 | H8 | 53.6° | 177.5° |
| C14 | C15 | C26 | C28 | 86.6° | 100.3° |
| C14 | C15 | O18 | C19 | 72.0° | 62.6° |
| C15 | C14 | N13 | H1 | 120.2° | 119.7° |
| C15 | C14 | N13 | H2 | 120.2° | 119.7° |
| C15 | C14 | N13 | C20 | 26.9° | 50.5° |
| C15 | C14 | N13 | C11 | 152.4° | 129.4° |
| C15 | C14 | H1 | H2 | 119.5° | 120.6° |
| C26 | C28 | C29 | C30 | 0.1° | 0.0° |
| C26 | C28 | C29 | H11 | 180.0° | 180.0° |
| C28 | C26 | C15 | H3 | 154.5° | 19.8° |
| C26 | C28 | C29 | H12 | 179.9° | 180.0° |
| C28 | C26 | C32 | H15 | 179.8° | 179.9° |
| C30 | C29 | C28 | H12 | 180.0° | 179.9° |
| C30 | C29 | C28 | H11 | 179.9° | 180.0° |
| C29 | C30 | C31 | H14 | 179.9° | 180.0° |
| C06 | C01 | C02 | H4 | 180.0° | 179.6° |
| C01 | C06 | C05 | C11 | 179.7° | 179.7° |
| C01 | C06 | C05 | C04 | 0.6° | 0.6° |
| C06 | C01 | C02 | CL08 | 179.9° | 179.7° |
| C06 | C01 | C02 | C03 | 0.1° | 0.4° |
| C05 | C06 | C01 | C02 | 0.3° | 0.6° |
| C06 | C05 | C11 | N13 | 77.4° | 126.0° |
| C06 | C05 | C11 | O25 | 102.4° | 53.8° |
| C06 | C05 | C11 | C04 | 179.2° | 179.7° |
| C06 | C05 | C04 | C03 | 0.6° | 0.3° |
| C05 | C06 | C01 | H4 | 179.7° | 179.8° |
| C06 | C05 | C04 | H6 | 179.4° | 179.8° |
| C01 | C02 | CL08 | C03 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.1° | 0.1° |
| C01 | C02 | C03 | H5 | 179.9° | 180.0° |
| O18 | C19 | C20 | H7 | 120.3° | 119.9° |
| O18 | C19 | C20 | H8 | 120.3° | 119.9° |
| O18 | C19 | C20 | N13 | 39.1° | 52.3° |
| C19 | O18 | C15 | H3 | 47.2° | 57.4° |
| O18 | C19 | H7 | H8 | 119.1° | 120.1° |
| O18 | C19 | C20 | H9 | 81.3° | 67.4° |
| O18 | C19 | C20 | H10 | 159.5° | 172.1° |
| C19 | C20 | N13 | C14 | 21.8° | 50.5° |
| C19 | C20 | N13 | H9 | 120.5° | 119.7° |
| C19 | C20 | N13 | H10 | 120.4° | 119.8° |
| C19 | C20 | N13 | C11 | 157.5° | 129.4° |
| C20 | C19 | H7 | H8 | 119.1° | 120.1° |
| C19 | C20 | H9 | H10 | 118.6° | 120.5° |
| C14 | N13 | C20 | C11 | 179.3° | 179.9° |
| C14 | N13 | C11 | O25 | 0.3° | 174.2° |
| C14 | N13 | C11 | C05 | 179.5° | 5.6° |
| N13 | C14 | H1 | H2 | 119.5° | 120.5° |
| N13 | C14 | C15 | H3 | 70.9° | 67.7° |
| C14 | N13 | C20 | H9 | 98.7° | 69.2° |
| C14 | N13 | C20 | H10 | 142.2° | 170.3° |
| C20 | N13 | C11 | O25 | 179.6° | 5.7° |
| C20 | N13 | C11 | C05 | 0.2° | 174.5° |
| C20 | N13 | C14 | H1 | 147.1° | 170.2° |
| C20 | N13 | C14 | H2 | 93.2° | 69.2° |
| N13 | C20 | C19 | H7 | 159.4° | 67.6° |
| N13 | C20 | C19 | H8 | 81.2° | 172.2° |
| N13 | C20 | H9 | H10 | 118.6° | 120.6° |
| N13 | C11 | O25 | C05 | 179.7° | 179.8° |
| N13 | C11 | C05 | C04 | 103.5° | 53.7° |
| C11 | N13 | C14 | H1 | 32.2° | 9.7° |
| C11 | N13 | C14 | H2 | 87.5° | 110.8° |
| C11 | N13 | C20 | H9 | 82.0° | 110.8° |
| C11 | N13 | C20 | H10 | 37.1° | 9.7° |
| O25 | C11 | C05 | C04 | 76.8° | 126.5° |
| C11 | C05 | C04 | C03 | 179.8° | 179.9° |
| C11 | C05 | C04 | H6 | 0.3° | 0.1° |
| C28 | C29 | C30 | H13 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 0.4° | 0.1° |
| C05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | H5 | 179.6° | 180.0° |
| CL08 | C02 | C03 | C04 | 179.9° | 180.0° |
| CL08 | C02 | C01 | H4 | 0.1° | 0.1° |
| CL08 | C02 | C03 | H5 | 0.1° | 0.0° |
| C02 | C03 | C04 | H5 | 180.0° | 179.9° |
| C03 | C02 | C01 | H4 | 179.9° | 180.0° |
| C02 | C03 | C04 | H6 | 179.7° | 180.0° |
| H1 | C14 | C15 | H3 | 49.3° | 52.0° |
| H2 | C14 | C15 | H3 | 169.0° | 172.6° |
| H5 | C03 | C04 | H6 | 0.4° | 0.1° |
| H7 | C19 | C20 | H9 | 38.9° | 172.7° |
| H7 | C19 | C20 | H10 | 80.2° | 52.2° |
| H8 | C19 | C20 | H9 | 158.4° | 52.5° |
| H8 | C19 | C20 | H10 | 39.2° | 68.0° |
| H11 | C28 | C29 | H12 | 0.1° | 0.0° |
| H12 | C29 | C30 | H13 | 0.1° | 0.0° |
| H13 | C30 | C31 | H14 | 0.1° | 0.1° |
| H14 | C31 | C32 | H15 | 0.1° | 0.2° |
