M19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | O04 | sing | 1.43Å | 1.46Å | |
| O04 | C03 | sing | 1.36Å | 1.42Å | |
| C03 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.43Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.41Å | |
| C06 | C07 | sing | 1.40Å | 1.43Å | Aromatic |
| C02 | C23 | doub | 1.37Å | 1.40Å | Aromatic |
| C07 | N08 | doub | 1.34Å | 1.39Å | Aromatic |
| C07 | C22 | sing | 1.42Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.44Å | Aromatic |
| N08 | C09 | sing | 1.31Å | 1.37Å | Aromatic |
| C22 | C11 | doub | 1.42Å | 1.47Å | Aromatic |
| C09 | N10 | doub | 1.32Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | N12 | sing | 1.38Å | 1.47Å | |
| N12 | C13 | sing | 1.40Å | 1.47Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| O21 | C20 | sing | 1.36Å | 1.39Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | CL16 | sing | 1.74Å | 1.76Å | |
| C15 | C17 | doub | 1.39Å | 1.46Å | Aromatic |
| C19 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | F18 | sing | 1.35Å | 1.32Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å | |
| O21 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | O04 | C03 | 115.4° | 117.0° |
| O04 | C05 | H2 | 109.5° | 109.5° |
| O04 | C05 | H3 | 109.5° | 109.5° |
| O04 | C05 | H4 | 109.4° | 109.5° |
| O04 | C03 | C06 | 121.2° | 119.6° |
| O04 | C03 | C02 | 119.4° | 119.7° |
| C06 | C03 | C02 | 119.4° | 120.7° |
| C03 | C06 | C07 | 120.8° | 119.5° |
| C03 | C06 | H5 | 119.6° | 120.3° |
| C03 | C02 | O01 | 121.8° | 119.6° |
| C03 | C02 | C23 | 119.7° | 120.7° |
| O01 | C02 | C23 | 118.5° | 119.7° |
| C02 | O01 | H10 | 109.5° | 114.1° |
| C06 | C07 | N08 | 118.3° | 121.8° |
| C06 | C07 | C22 | 120.6° | 119.4° |
| C07 | C06 | H5 | 119.6° | 120.2° |
| C02 | C23 | C22 | 121.4° | 119.7° |
| C02 | C23 | H8 | 119.3° | 120.2° |
| N08 | C07 | C22 | 121.1° | 118.7° |
| C07 | N08 | C09 | 118.1° | 120.5° |
| C07 | C22 | C23 | 118.1° | 119.9° |
| C07 | C22 | C11 | 118.2° | 118.1° |
| C23 | C22 | C11 | 123.7° | 122.0° |
| C22 | C23 | H8 | 119.3° | 120.2° |
| N08 | C09 | N10 | 123.6° | 122.9° |
| N08 | C09 | H6 | 118.2° | 118.5° |
| C22 | C11 | N10 | 119.9° | 118.2° |
| C22 | C11 | N12 | 122.5° | 120.9° |
| C09 | N10 | C11 | 119.1° | 121.5° |
| N10 | C09 | H6 | 118.2° | 118.5° |
| N10 | C11 | N12 | 117.5° | 120.9° |
| C11 | N12 | C13 | 126.2° | 120.0° |
| C11 | N12 | H9 | 116.9° | 120.0° |
| N12 | C13 | C14 | 121.2° | 120.1° |
| N12 | C13 | C20 | 121.7° | 120.0° |
| C13 | N12 | H9 | 116.9° | 120.0° |
| C14 | C13 | C20 | 117.1° | 119.9° |
| C13 | C14 | C15 | 122.7° | 120.0° |
| C13 | C14 | H1 | 118.7° | 120.0° |
| C13 | C20 | O21 | 116.0° | 120.1° |
| C13 | C20 | C19 | 121.8° | 119.9° |
| O21 | C20 | C19 | 122.3° | 120.0° |
| C20 | O21 | H11 | 109.5° | 114.0° |
| C14 | C15 | CL16 | 122.6° | 120.0° |
| C14 | C15 | C17 | 121.6° | 120.1° |
| C15 | C14 | H1 | 118.7° | 120.0° |
| C20 | C19 | C17 | 122.2° | 120.0° |
| C20 | C19 | H7 | 118.9° | 120.0° |
| CL16 | C15 | C17 | 115.8° | 120.0° |
| C15 | C17 | C19 | 114.7° | 120.2° |
| C15 | C17 | F18 | 121.9° | 119.9° |
| C19 | C17 | F18 | 123.4° | 119.9° |
| C17 | C19 | H7 | 118.9° | 120.0° |
| H2 | C05 | H3 | 109.4° | 109.5° |
| H2 | C05 | H4 | 109.5° | 109.4° |
| H3 | C05 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | O04 | C03 | C06 | 14.2° | 0.1° |
| C05 | O04 | C03 | C02 | 165.5° | 180.0° |
| O04 | C05 | H2 | H3 | 120.0° | 120.0° |
| O04 | C05 | H2 | H4 | 120.0° | 120.0° |
| O04 | C05 | H3 | H4 | 120.0° | 120.0° |
| O04 | C03 | C06 | C02 | 179.8° | 179.9° |
| O04 | C03 | C02 | O01 | 0.1° | 0.1° |
| O04 | C03 | C06 | C07 | 179.4° | 180.0° |
| O04 | C03 | C02 | C23 | 179.6° | 180.0° |
| C03 | O04 | C05 | H2 | 180.0° | 60.0° |
| C03 | O04 | C05 | H3 | 60.0° | 60.0° |
| C03 | O04 | C05 | H4 | 60.0° | 180.0° |
| O04 | C03 | C06 | H5 | 0.6° | 0.1° |
| C06 | C03 | C02 | O01 | 179.9° | 180.0° |
| C03 | C06 | C07 | H5 | 180.0° | 180.0° |
| C06 | C03 | C02 | C23 | 0.2° | 0.1° |
| C03 | C06 | C07 | N08 | 180.0° | 180.0° |
| C03 | C06 | C07 | C22 | 0.5° | 0.0° |
| C03 | C02 | O01 | C23 | 179.7° | 179.9° |
| C02 | C03 | C06 | C07 | 0.4° | 0.0° |
| C03 | C02 | C23 | C22 | 0.0° | 0.1° |
| C02 | C03 | C06 | H5 | 179.6° | 180.0° |
| C03 | C02 | C23 | H8 | 180.0° | 179.9° |
| C03 | C02 | O01 | H10 | 180.0° | 89.9° |
| O01 | C02 | C23 | C22 | 179.7° | 179.9° |
| O01 | C02 | C23 | H8 | 0.2° | 0.1° |
| C06 | C07 | N08 | C22 | 179.5° | 180.0° |
| C06 | C07 | C22 | C23 | 0.3° | 0.0° |
| C06 | C07 | N08 | C09 | 179.0° | 179.7° |
| C06 | C07 | C22 | C11 | 179.3° | 180.0° |
| C02 | C23 | C22 | C07 | 0.1° | 0.0° |
| C02 | C23 | C22 | H8 | 180.0° | 180.0° |
| C02 | C23 | C22 | C11 | 179.5° | 179.9° |
| C23 | C02 | O01 | H10 | 0.3° | 89.9° |
| N08 | C07 | C22 | C23 | 179.8° | 179.9° |
| N08 | C07 | C22 | C11 | 0.2° | 0.0° |
| C07 | N08 | C09 | N10 | 1.2° | 0.5° |
| N08 | C07 | C06 | H5 | 0.0° | 0.1° |
| C07 | N08 | C09 | H6 | 178.8° | 180.0° |
| C07 | C22 | C23 | C11 | 179.6° | 180.0° |
| C22 | C07 | N08 | C09 | 0.5° | 0.2° |
| C07 | C22 | C11 | N10 | 0.5° | 0.0° |
| C07 | C22 | C11 | N12 | 180.0° | 179.7° |
| C22 | C07 | C06 | H5 | 179.5° | 180.0° |
| C07 | C22 | C23 | H8 | 179.9° | 180.0° |
| C23 | C22 | C11 | N10 | 179.9° | 179.9° |
| C23 | C22 | C11 | N12 | 0.4° | 0.3° |
| N08 | C09 | N10 | H6 | 180.0° | 179.4° |
| N08 | C09 | N10 | C11 | 1.5° | 0.5° |
| C22 | C11 | N10 | C09 | 1.1° | 0.2° |
| C22 | C11 | N10 | N12 | 179.5° | 179.8° |
| C22 | C11 | N12 | C13 | 166.5° | 173.2° |
| C11 | C22 | C23 | H8 | 0.5° | 0.0° |
| C22 | C11 | N12 | H9 | 13.6° | 6.7° |
| C09 | N10 | C11 | N12 | 179.4° | 180.0° |
| N10 | C11 | N12 | C13 | 13.1° | 6.6° |
| C11 | N10 | C09 | H6 | 178.4° | 180.0° |
| N10 | C11 | N12 | H9 | 166.9° | 173.5° |
| C11 | N12 | C13 | H9 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 47.6° | 21.9° |
| C11 | N12 | C13 | C20 | 131.2° | 158.4° |
| N12 | C13 | C14 | C20 | 178.8° | 179.8° |
| N12 | C13 | C20 | O21 | 0.3° | 0.3° |
| N12 | C13 | C14 | C15 | 179.4° | 179.7° |
| N12 | C13 | C20 | C19 | 179.7° | 179.7° |
| N12 | C13 | C14 | H1 | 0.6° | 0.3° |
| C14 | C13 | C20 | O21 | 179.1° | 180.0° |
| C13 | C14 | C15 | H1 | 180.0° | 180.0° |
| C14 | C13 | C20 | C19 | 0.9° | 0.0° |
| C13 | C14 | C15 | CL16 | 179.6° | 180.0° |
| C13 | C14 | C15 | C17 | 0.1° | 0.0° |
| C14 | C13 | N12 | H9 | 132.4° | 158.1° |
| C13 | C20 | O21 | C19 | 180.0° | 180.0° |
| C20 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C20 | C19 | C17 | 0.5° | 0.0° |
| C20 | C13 | C14 | H1 | 179.4° | 180.0° |
| C13 | C20 | C19 | H7 | 179.4° | 180.0° |
| C20 | C13 | N12 | H9 | 48.8° | 21.7° |
| C13 | C20 | O21 | H11 | 180.0° | 89.9° |
| O21 | C20 | C19 | C17 | 179.5° | 180.0° |
| O21 | C20 | C19 | H7 | 0.5° | 0.0° |
| C14 | C15 | CL16 | C17 | 179.6° | 180.0° |
| C14 | C15 | C17 | C19 | 0.4° | 0.0° |
| C14 | C15 | C17 | F18 | 179.8° | 179.9° |
| C20 | C19 | C17 | C15 | 0.1° | 0.0° |
| C20 | C19 | C17 | H7 | 180.0° | 180.0° |
| C20 | C19 | C17 | F18 | 179.9° | 179.9° |
| C19 | C20 | O21 | H11 | 0.0° | 90.1° |
| CL16 | C15 | C17 | C19 | 180.0° | 180.0° |
| CL16 | C15 | C17 | F18 | 0.3° | 0.1° |
| CL16 | C15 | C14 | H1 | 0.4° | 0.0° |
| C15 | C17 | C19 | F18 | 179.7° | 179.9° |
| C17 | C15 | C14 | H1 | 179.9° | 180.0° |
| C15 | C17 | C19 | H7 | 179.9° | 180.0° |
| F18 | C17 | C19 | H7 | 0.2° | 0.1° |
| H2 | C05 | H3 | H4 | 120.0° | 119.9° |
