UM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.55Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.57Å | |
| F16 | C15 | sing | 1.40Å | 1.40Å | |
| C15 | C14 | sing | 1.55Å | 1.55Å | |
| C18 | N13 | sing | 1.47Å | 1.48Å | |
| C14 | N13 | sing | 1.47Å | 1.47Å | |
| N13 | C9 | sing | 1.37Å | 1.39Å | |
| C9 | N8 | doub | 1.32Å | 1.33Å | |
| C9 | C10 | sing | 1.47Å | 1.48Å | |
| N8 | C6 | sing | 1.33Å | 1.37Å | |
| C11 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.35Å | Aromatic |
| C10 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O7 | doub | 1.22Å | 1.24Å | |
| C6 | N5 | sing | 1.34Å | 1.35Å | |
| C4 | N5 | sing | 1.38Å | 1.39Å | |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C19 | sing | 1.40Å | 1.40Å | |
| C2 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.72Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C17 | C18 | 99.5° | 102.9° |
| C17 | C15 | F16 | 108.7° | 111.1° |
| C17 | C15 | C14 | 102.1° | 101.7° |
| C17 | C15 | H4 | 111.9° | 110.8° |
| C15 | C17 | H5 | 111.9° | 110.7° |
| C15 | C17 | H6 | 111.9° | 110.7° |
| C17 | C18 | N13 | 104.5° | 107.3° |
| C18 | C17 | H5 | 111.9° | 110.8° |
| C18 | C17 | H6 | 111.9° | 110.8° |
| C17 | C18 | H7 | 110.7° | 109.8° |
| C17 | C18 | H8 | 110.7° | 109.9° |
| F16 | C15 | C14 | 107.3° | 111.0° |
| F16 | C15 | H4 | 114.3° | 110.8° |
| C15 | C14 | N13 | 105.9° | 104.9° |
| C14 | C15 | H4 | 111.7° | 111.0° |
| C15 | C14 | H12 | 110.4° | 110.3° |
| C15 | C14 | H13 | 110.4° | 110.4° |
| C18 | N13 | C14 | 108.5° | 108.7° |
| C18 | N13 | C9 | 127.6° | 125.6° |
| N13 | C18 | H7 | 110.7° | 109.9° |
| N13 | C18 | H8 | 110.7° | 109.9° |
| C14 | N13 | C9 | 123.1° | 125.7° |
| N13 | C14 | H12 | 110.4° | 110.3° |
| N13 | C14 | H13 | 110.3° | 110.5° |
| N13 | C9 | N8 | 114.1° | 120.8° |
| N13 | C9 | C10 | 124.7° | 120.8° |
| N8 | C9 | C10 | 120.4° | 118.5° |
| C9 | N8 | C6 | 122.1° | 121.8° |
| C9 | C10 | C11 | 127.2° | 121.9° |
| C9 | C10 | C4 | 115.5° | 118.1° |
| N8 | C6 | O7 | 119.4° | 118.6° |
| N8 | C6 | N5 | 118.5° | 122.9° |
| C10 | C11 | C12 | 121.5° | 119.6° |
| C11 | C10 | C4 | 117.3° | 119.9° |
| C10 | C11 | H2 | 119.3° | 120.2° |
| C11 | C12 | C2 | 119.8° | 120.6° |
| C12 | C11 | H2 | 119.2° | 120.2° |
| C11 | C12 | H3 | 120.1° | 119.7° |
| C10 | C4 | N5 | 118.2° | 118.5° |
| C10 | C4 | C3 | 119.1° | 119.6° |
| C12 | C2 | C3 | 121.0° | 120.6° |
| C12 | C2 | CL1 | 118.6° | 119.7° |
| C2 | C12 | H3 | 120.1° | 119.7° |
| O7 | C6 | N5 | 121.6° | 118.5° |
| C6 | N5 | C4 | 123.2° | 120.2° |
| C6 | N5 | C19 | 117.3° | 119.9° |
| N5 | C4 | C3 | 122.3° | 121.9° |
| C4 | N5 | C19 | 119.3° | 119.9° |
| C4 | C3 | C2 | 121.1° | 119.6° |
| C4 | C3 | H1 | 119.4° | 120.2° |
| N5 | C19 | C20 | 114.1° | 120.1° |
| N5 | C19 | C24 | 124.4° | 120.1° |
| C3 | C2 | CL1 | 120.1° | 119.7° |
| C2 | C3 | H1 | 119.5° | 120.2° |
| C19 | C20 | C21 | 121.9° | 119.9° |
| C20 | C19 | C24 | 121.4° | 119.9° |
| C19 | C20 | H14 | 119.1° | 120.0° |
| C20 | C21 | C22 | 117.0° | 120.1° |
| C20 | C21 | H9 | 121.5° | 120.0° |
| C21 | C20 | H14 | 119.0° | 120.0° |
| C19 | C24 | C23 | 116.4° | 119.9° |
| C19 | C24 | H11 | 121.8° | 120.0° |
| C21 | C22 | C23 | 120.7° | 120.1° |
| C22 | C21 | H9 | 121.6° | 120.0° |
| C21 | C22 | H15 | 119.7° | 120.0° |
| C24 | C23 | C22 | 122.6° | 120.1° |
| C24 | C23 | H10 | 118.7° | 120.0° |
| C23 | C24 | H11 | 121.8° | 120.1° |
| C22 | C23 | H10 | 118.7° | 119.9° |
| C23 | C22 | H15 | 119.7° | 119.9° |
| H5 | C17 | H6 | 109.5° | 110.8° |
| H7 | C18 | H8 | 109.5° | 110.0° |
| H12 | C14 | H13 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C17 | C18 | H5 | 118.3° | 118.3° |
| C15 | C17 | C18 | H6 | 118.4° | 118.4° |
| C17 | C15 | F16 | C14 | 109.7° | 112.4° |
| C17 | C15 | F16 | H4 | 125.8° | 123.7° |
| C17 | C15 | C14 | H4 | 119.8° | 118.0° |
| C15 | C17 | C18 | N13 | 39.2° | 22.3° |
| C17 | C15 | C14 | N13 | 32.0° | 36.9° |
| C15 | C17 | H5 | H6 | 124.7° | 123.2° |
| C15 | C17 | C18 | H7 | 80.0° | 97.1° |
| C15 | C17 | C18 | H8 | 158.4° | 141.8° |
| C17 | C15 | C14 | H12 | 87.4° | 81.8° |
| C17 | C15 | C14 | H13 | 151.5° | 155.8° |
| C18 | C17 | C15 | F16 | 70.6° | 153.7° |
| C18 | C17 | C15 | C14 | 42.5° | 35.5° |
| C17 | C18 | N13 | H7 | 119.3° | 119.4° |
| C17 | C18 | N13 | H8 | 119.2° | 119.4° |
| C17 | C18 | N13 | C14 | 20.4° | 0.8° |
| C17 | C18 | N13 | C9 | 149.4° | 178.9° |
| C18 | C17 | C15 | H4 | 162.2° | 82.6° |
| C18 | C17 | H5 | H6 | 124.7° | 123.3° |
| C17 | C18 | H7 | H8 | 122.3° | 121.1° |
| F16 | C15 | C14 | H4 | 126.0° | 123.8° |
| F16 | C15 | C14 | N13 | 82.2° | 155.1° |
| F16 | C15 | C17 | H5 | 47.7° | 35.3° |
| F16 | C15 | C17 | H6 | 171.0° | 87.9° |
| F16 | C15 | C14 | H12 | 158.4° | 36.4° |
| F16 | C15 | C14 | H13 | 37.3° | 85.9° |
| C15 | C14 | N13 | C18 | 7.0° | 23.9° |
| C15 | C14 | N13 | H12 | 119.5° | 118.8° |
| C15 | C14 | N13 | H13 | 119.4° | 118.9° |
| C15 | C14 | N13 | C9 | 177.3° | 155.8° |
| C14 | C15 | C17 | H5 | 160.9° | 82.9° |
| C14 | C15 | C17 | H6 | 75.9° | 153.9° |
| C15 | C14 | H12 | H13 | 121.7° | 122.3° |
| C18 | N13 | C14 | C9 | 170.3° | 179.7° |
| C18 | N13 | C9 | N8 | 167.5° | 178.7° |
| C18 | N13 | C9 | C10 | 2.4° | 1.9° |
| N13 | C18 | C17 | H5 | 157.5° | 96.0° |
| N13 | C18 | C17 | H6 | 79.2° | 140.7° |
| N13 | C18 | H7 | H8 | 122.3° | 121.1° |
| C18 | N13 | C14 | H12 | 112.4° | 94.9° |
| C18 | N13 | C14 | H13 | 126.5° | 142.8° |
| C14 | N13 | C9 | N8 | 0.8° | 1.0° |
| C14 | N13 | C9 | C10 | 170.8° | 178.5° |
| N13 | C14 | C15 | H4 | 151.8° | 81.1° |
| C14 | N13 | C18 | H7 | 98.9° | 120.2° |
| C14 | N13 | C18 | H8 | 139.5° | 118.6° |
| N13 | C14 | H12 | H13 | 121.6° | 122.3° |
| N13 | C9 | N8 | C10 | 170.4° | 179.5° |
| N13 | C9 | N8 | C6 | 166.1° | 179.9° |
| N13 | C9 | C10 | C11 | 21.2° | 0.8° |
| N13 | C9 | C10 | C4 | 156.5° | 179.9° |
| C9 | N13 | C18 | H7 | 91.4° | 59.5° |
| C9 | N13 | C18 | H8 | 30.2° | 61.7° |
| C9 | N13 | C14 | H12 | 57.9° | 85.4° |
| C9 | N13 | C14 | H13 | 63.3° | 36.9° |
| N8 | C9 | C10 | C11 | 169.4° | 179.7° |
| N8 | C9 | C10 | C4 | 12.8° | 0.5° |
| C9 | N8 | C6 | O7 | 179.4° | 179.7° |
| C9 | N8 | C6 | N5 | 9.2° | 0.2° |
| C10 | C9 | N8 | C6 | 4.3° | 0.5° |
| C9 | C10 | C11 | C4 | 177.8° | 179.3° |
| C9 | C10 | C11 | C12 | 175.3° | 180.0° |
| C9 | C10 | C4 | N5 | 8.1° | 0.2° |
| C9 | C10 | C4 | C3 | 179.0° | 179.8° |
| C9 | C10 | C11 | H2 | 4.7° | 0.0° |
| N8 | C6 | O7 | N5 | 171.1° | 180.0° |
| N8 | C6 | N5 | C4 | 14.2° | 0.0° |
| N8 | C6 | N5 | C19 | 172.1° | 180.0° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | C2 | 5.2° | 0.6° |
| C11 | C10 | C4 | N5 | 173.9° | 179.5° |
| C11 | C10 | C4 | C3 | 0.9° | 0.5° |
| C10 | C11 | C12 | H3 | 174.8° | 180.0° |
| C12 | C11 | C10 | C4 | 2.5° | 0.8° |
| C11 | C12 | C2 | H3 | 180.0° | 179.4° |
| C11 | C12 | C2 | C3 | 4.6° | 0.1° |
| C11 | C12 | C2 | CL1 | 178.4° | 179.7° |
| C10 | C4 | N5 | C6 | 5.0° | 0.0° |
| C10 | C4 | N5 | C3 | 172.7° | 180.0° |
| C10 | C4 | N5 | C19 | 178.6° | 180.0° |
| C10 | C4 | C3 | C2 | 1.5° | 0.0° |
| C10 | C4 | C3 | H1 | 178.4° | 180.0° |
| C4 | C10 | C11 | H2 | 177.5° | 179.2° |
| C12 | C2 | C3 | C4 | 1.2° | 0.2° |
| C12 | C2 | C3 | CL1 | 173.6° | 179.8° |
| C12 | C2 | C3 | H1 | 178.8° | 179.8° |
| C2 | C12 | C11 | H2 | 174.8° | 179.5° |
| O7 | C6 | N5 | C4 | 174.6° | 180.0° |
| O7 | C6 | N5 | C19 | 0.9° | 0.0° |
| C6 | N5 | C4 | C19 | 173.6° | 180.0° |
| C6 | N5 | C4 | C3 | 167.6° | 180.0° |
| C6 | N5 | C19 | C20 | 86.7° | 89.9° |
| C6 | N5 | C19 | C24 | 91.0° | 90.4° |
| N5 | C4 | C3 | C2 | 174.2° | 180.0° |
| C4 | N5 | C19 | C20 | 99.4° | 90.1° |
| C4 | N5 | C19 | C24 | 82.9° | 89.6° |
| N5 | C4 | C3 | H1 | 5.8° | 0.0° |
| C3 | C4 | N5 | C19 | 5.9° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | CL1 | 174.8° | 180.0° |
| N5 | C19 | C20 | C24 | 177.8° | 179.7° |
| N5 | C19 | C20 | C21 | 178.4° | 179.8° |
| N5 | C19 | C24 | C23 | 178.9° | 180.0° |
| N5 | C19 | C24 | H11 | 1.1° | 0.0° |
| N5 | C19 | C20 | H14 | 1.6° | 0.3° |
| C3 | C2 | C12 | H3 | 175.4° | 179.5° |
| CL1 | C2 | C3 | H1 | 5.2° | 0.0° |
| CL1 | C2 | C12 | H3 | 1.6° | 0.3° |
| C19 | C20 | C21 | H14 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C20 | C19 | C24 | C23 | 1.3° | 0.3° |
| C19 | C20 | C21 | H9 | 179.7° | 179.7° |
| C20 | C19 | C24 | H11 | 178.7° | 179.7° |
| C21 | C20 | C19 | C24 | 0.6° | 0.1° |
| C20 | C21 | C22 | H9 | 180.0° | 179.6° |
| C20 | C21 | C22 | C23 | 0.7° | 0.4° |
| C20 | C21 | C22 | H15 | 179.3° | 179.7° |
| C19 | C24 | C23 | H11 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 1.8° | 0.6° |
| C19 | C24 | C23 | H10 | 178.2° | 180.0° |
| C24 | C19 | C20 | H14 | 179.4° | 180.0° |
| C21 | C22 | C23 | C24 | 1.6° | 0.6° |
| C21 | C22 | C23 | H15 | 180.0° | 179.9° |
| C21 | C22 | C23 | H10 | 178.5° | 180.0° |
| C22 | C21 | C20 | H14 | 179.8° | 180.0° |
| C24 | C23 | C22 | H10 | 180.0° | 179.4° |
| C24 | C23 | C22 | H15 | 178.4° | 179.4° |
| C23 | C22 | C21 | H9 | 179.3° | 180.0° |
| C22 | C23 | C24 | H11 | 178.2° | 179.4° |
| H2 | C11 | C12 | H3 | 5.3° | 0.0° |
| H4 | C15 | C17 | H5 | 79.5° | 159.0° |
| H4 | C15 | C17 | H6 | 43.8° | 35.8° |
| H4 | C15 | C14 | H12 | 32.4° | 160.2° |
| H4 | C15 | C14 | H13 | 88.7° | 37.9° |
| H5 | C17 | C18 | H7 | 38.3° | 144.6° |
| H5 | C17 | C18 | H8 | 83.3° | 23.5° |
| H6 | C17 | C18 | H7 | 161.6° | 21.3° |
| H6 | C17 | C18 | H8 | 40.0° | 99.9° |
| H9 | C21 | C20 | H14 | 0.2° | 0.4° |
| H9 | C21 | C22 | H15 | 0.7° | 0.1° |
| H10 | C23 | C24 | H11 | 1.8° | 0.0° |
| H10 | C23 | C22 | H15 | 1.6° | 0.1° |
