MVY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C14 | sing | 1.74Å | 1.82Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | F13 | sing | 1.35Å | 1.43Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.48Å | Aromatic |
| C10 | N09 | sing | 1.40Å | 1.47Å | |
| N09 | C07 | sing | 1.35Å | 1.43Å | |
| C07 | O08 | doub | 1.21Å | 1.24Å | |
| C07 | C06 | sing | 1.51Å | 1.57Å | |
| C06 | C18 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C05 | N04 | sing | 1.47Å | 1.53Å | |
| C20 | N04 | sing | 1.47Å | 1.51Å | |
| N04 | C03 | sing | 1.35Å | 1.44Å | |
| C03 | O21 | doub | 1.21Å | 1.24Å | |
| C03 | O02 | sing | 1.35Å | 1.40Å | |
| C01 | O02 | sing | 1.45Å | 1.46Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| N09 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C14 | C16 | 116.7° | 120.0° |
| CL1 | C14 | C12 | 125.4° | 119.9° |
| C16 | C14 | C12 | 117.9° | 120.1° |
| C14 | C16 | C17 | 119.6° | 120.1° |
| C14 | C16 | H2 | 120.2° | 120.0° |
| C14 | C12 | F13 | 119.7° | 120.1° |
| C14 | C12 | C11 | 125.4° | 120.0° |
| C16 | C17 | C10 | 122.1° | 120.0° |
| C17 | C16 | H2 | 120.2° | 120.0° |
| C16 | C17 | H3 | 118.9° | 120.0° |
| F13 | C12 | C11 | 114.9° | 120.0° |
| C12 | C11 | C10 | 117.2° | 120.0° |
| C12 | C11 | H1 | 121.4° | 120.1° |
| C17 | C10 | C11 | 117.8° | 119.8° |
| C17 | C10 | N09 | 117.0° | 120.1° |
| C10 | C17 | H3 | 118.9° | 120.0° |
| C11 | C10 | N09 | 125.3° | 120.1° |
| C10 | C11 | H1 | 121.4° | 120.0° |
| C10 | N09 | C07 | 129.5° | 120.0° |
| C10 | N09 | H16 | 115.2° | 120.0° |
| N09 | C07 | O08 | 121.1° | 120.0° |
| N09 | C07 | C06 | 121.5° | 120.0° |
| C07 | N09 | H16 | 115.3° | 120.0° |
| O08 | C07 | C06 | 117.4° | 120.0° |
| C07 | C06 | C18 | 113.0° | 109.5° |
| C07 | C06 | C05 | 112.2° | 109.5° |
| C07 | C06 | H15 | 107.9° | 109.5° |
| C18 | C06 | C05 | 107.6° | 109.3° |
| C06 | C18 | C19 | 109.9° | 109.5° |
| C06 | C18 | H4 | 109.4° | 109.4° |
| C06 | C18 | H5 | 109.4° | 109.4° |
| C18 | C06 | H15 | 107.9° | 109.4° |
| C06 | C05 | N04 | 111.1° | 108.8° |
| C06 | C05 | H13 | 109.0° | 109.6° |
| C06 | C05 | H14 | 109.1° | 109.7° |
| C05 | C06 | H15 | 108.0° | 109.5° |
| C18 | C19 | C20 | 111.2° | 109.3° |
| C19 | C18 | H4 | 109.4° | 109.5° |
| C19 | C18 | H5 | 109.4° | 109.5° |
| C18 | C19 | H6 | 109.0° | 109.5° |
| C18 | C19 | H7 | 109.0° | 109.5° |
| C19 | C20 | N04 | 113.7° | 108.8° |
| C20 | C19 | H6 | 109.0° | 109.5° |
| C20 | C19 | H7 | 109.0° | 109.5° |
| C19 | C20 | H8 | 108.4° | 109.6° |
| C19 | C20 | H9 | 108.4° | 109.5° |
| C05 | N04 | C20 | 114.6° | 118.8° |
| C05 | N04 | C03 | 122.2° | 120.6° |
| N04 | C05 | H13 | 109.1° | 109.6° |
| N04 | C05 | H14 | 109.1° | 109.6° |
| C20 | N04 | C03 | 123.2° | 120.7° |
| N04 | C20 | H8 | 108.4° | 109.6° |
| N04 | C20 | H9 | 108.4° | 109.6° |
| N04 | C03 | O21 | 120.1° | 120.1° |
| N04 | C03 | O02 | 124.2° | 120.0° |
| O21 | C03 | O02 | 115.7° | 120.0° |
| C03 | O02 | C01 | 121.4° | 117.0° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| O02 | C01 | H11 | 109.5° | 109.4° |
| O02 | C01 | H12 | 109.5° | 109.5° |
| H4 | C18 | H5 | 109.4° | 109.5° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.4° | 109.7° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.4° |
| H13 | C05 | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C14 | C16 | C12 | 179.8° | 180.0° |
| CL1 | C14 | C16 | C17 | 180.0° | 179.9° |
| CL1 | C14 | C12 | F13 | 0.1° | 0.0° |
| CL1 | C14 | C12 | C11 | 180.0° | 180.0° |
| CL1 | C14 | C16 | H2 | 0.0° | 0.0° |
| C14 | C16 | C17 | H2 | 180.0° | 179.9° |
| C16 | C14 | C12 | F13 | 179.9° | 180.0° |
| C16 | C14 | C12 | C11 | 0.1° | 0.0° |
| C14 | C16 | C17 | C10 | 0.3° | 0.1° |
| C14 | C16 | C17 | H3 | 179.7° | 180.0° |
| C12 | C14 | C16 | C17 | 0.2° | 0.1° |
| C14 | C12 | F13 | C11 | 179.9° | 180.0° |
| C14 | C12 | C11 | C10 | 0.2° | 0.0° |
| C14 | C12 | C11 | H1 | 179.8° | 179.7° |
| C12 | C14 | C16 | H2 | 179.8° | 180.0° |
| C16 | C17 | C10 | H3 | 180.0° | 179.9° |
| C16 | C17 | C10 | C11 | 0.3° | 0.1° |
| C16 | C17 | C10 | N09 | 179.7° | 179.7° |
| F13 | C12 | C11 | C10 | 179.9° | 180.0° |
| F13 | C12 | C11 | H1 | 0.1° | 0.3° |
| C12 | C11 | C10 | C17 | 0.2° | 0.1° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C12 | C11 | C10 | N09 | 179.6° | 179.7° |
| C17 | C10 | C11 | N09 | 179.4° | 179.8° |
| C17 | C10 | N09 | C07 | 172.0° | 145.1° |
| C17 | C10 | C11 | H1 | 179.7° | 179.8° |
| C10 | C17 | C16 | H2 | 179.7° | 180.0° |
| C17 | C10 | N09 | H16 | 8.0° | 34.8° |
| C11 | C10 | N09 | C07 | 8.6° | 35.1° |
| C11 | C10 | C17 | H3 | 179.7° | 180.0° |
| C11 | C10 | N09 | H16 | 171.4° | 145.0° |
| C10 | N09 | C07 | H16 | 180.0° | 179.9° |
| C10 | N09 | C07 | O08 | 0.4° | 4.7° |
| C10 | N09 | C07 | C06 | 179.7° | 175.4° |
| N09 | C10 | C11 | H1 | 0.4° | 0.0° |
| N09 | C10 | C17 | H3 | 0.3° | 0.2° |
| N09 | C07 | O08 | C06 | 179.9° | 180.0° |
| N09 | C07 | C06 | C18 | 101.2° | 179.9° |
| N09 | C07 | C06 | C05 | 136.9° | 60.2° |
| N09 | C07 | C06 | H15 | 18.1° | 60.0° |
| O08 | C07 | C06 | C18 | 78.9° | 0.0° |
| O08 | C07 | C06 | C05 | 43.0° | 119.8° |
| O08 | C07 | C06 | H15 | 161.9° | 120.0° |
| O08 | C07 | N09 | H16 | 179.7° | 175.4° |
| C07 | C06 | C18 | C05 | 124.5° | 120.0° |
| C07 | C06 | C18 | H15 | 119.2° | 120.0° |
| C07 | C06 | C05 | H15 | 118.8° | 120.1° |
| C07 | C06 | C18 | C19 | 166.1° | 178.7° |
| C07 | C06 | C05 | N04 | 174.4° | 174.5° |
| C07 | C06 | C18 | H4 | 46.0° | 61.3° |
| C07 | C06 | C18 | H5 | 73.8° | 58.7° |
| C07 | C06 | C05 | H13 | 54.2° | 54.8° |
| C07 | C06 | C05 | H14 | 65.3° | 65.6° |
| C06 | C07 | N09 | H16 | 0.3° | 4.6° |
| C18 | C06 | C05 | H15 | 116.2° | 119.9° |
| C06 | C18 | C19 | H4 | 120.1° | 120.0° |
| C06 | C18 | C19 | H5 | 120.1° | 120.0° |
| C06 | C18 | C19 | C20 | 26.2° | 61.3° |
| C18 | C06 | C05 | N04 | 49.5° | 54.6° |
| C06 | C18 | H4 | H5 | 119.8° | 119.9° |
| C06 | C18 | C19 | H6 | 94.1° | 58.6° |
| C06 | C18 | C19 | H7 | 146.4° | 178.7° |
| C18 | C06 | C05 | H13 | 70.8° | 65.2° |
| C18 | C06 | C05 | H14 | 169.7° | 174.5° |
| C05 | C06 | C18 | C19 | 69.4° | 61.3° |
| C06 | C05 | N04 | H13 | 120.2° | 119.8° |
| C06 | C05 | N04 | H14 | 120.2° | 119.9° |
| C06 | C05 | N04 | C20 | 10.2° | 53.6° |
| C06 | C05 | N04 | C03 | 171.7° | 126.4° |
| C05 | C06 | C18 | H4 | 170.5° | 58.7° |
| C05 | C06 | C18 | H5 | 50.6° | 178.6° |
| C06 | C05 | H13 | H14 | 119.2° | 120.4° |
| C18 | C19 | C20 | H6 | 120.3° | 119.9° |
| C18 | C19 | C20 | H7 | 120.2° | 120.0° |
| C18 | C19 | C20 | N04 | 33.6° | 54.6° |
| C19 | C18 | H4 | H5 | 119.8° | 120.0° |
| C18 | C19 | H6 | H7 | 119.2° | 120.1° |
| C18 | C19 | C20 | H8 | 87.0° | 174.4° |
| C18 | C19 | C20 | H9 | 154.3° | 65.2° |
| C19 | C18 | C06 | H15 | 46.9° | 58.7° |
| C19 | C20 | N04 | C05 | 54.3° | 53.6° |
| C19 | C20 | N04 | H8 | 120.6° | 119.8° |
| C19 | C20 | N04 | H9 | 120.7° | 119.7° |
| C19 | C20 | N04 | C03 | 127.6° | 126.4° |
| C20 | C19 | C18 | H4 | 146.2° | 58.7° |
| C20 | C19 | C18 | H5 | 93.9° | 178.7° |
| C20 | C19 | H6 | H7 | 119.2° | 120.0° |
| C19 | C20 | H8 | H9 | 118.1° | 120.3° |
| C05 | N04 | C20 | C03 | 178.1° | 180.0° |
| C05 | N04 | C03 | O21 | 103.3° | 0.0° |
| C05 | N04 | C03 | O02 | 78.2° | 180.0° |
| C05 | N04 | C20 | H8 | 66.3° | 173.4° |
| C05 | N04 | C20 | H9 | 174.9° | 66.2° |
| N04 | C05 | H13 | H14 | 119.3° | 120.3° |
| N04 | C05 | C06 | H15 | 66.8° | 65.3° |
| C20 | N04 | C03 | O21 | 74.7° | 180.0° |
| C20 | N04 | C03 | O02 | 103.9° | 0.0° |
| N04 | C20 | C19 | H6 | 153.9° | 65.4° |
| N04 | C20 | C19 | H7 | 86.6° | 174.6° |
| N04 | C20 | H8 | H9 | 118.1° | 120.3° |
| C20 | N04 | C05 | H13 | 130.4° | 66.2° |
| C20 | N04 | C05 | H14 | 110.1° | 173.5° |
| N04 | C03 | O21 | O02 | 178.7° | 180.0° |
| N04 | C03 | O02 | C01 | 31.1° | 180.0° |
| C03 | N04 | C20 | H8 | 111.8° | 6.6° |
| C03 | N04 | C20 | H9 | 7.0° | 113.8° |
| C03 | N04 | C05 | H13 | 51.5° | 113.8° |
| C03 | N04 | C05 | H14 | 68.1° | 6.5° |
| O21 | C03 | O02 | C01 | 150.3° | 0.0° |
| C03 | O02 | C01 | H10 | 180.0° | 180.0° |
| C03 | O02 | C01 | H11 | 60.0° | 60.0° |
| C03 | O02 | C01 | H12 | 60.0° | 59.9° |
| O02 | C01 | H10 | H11 | 120.0° | 120.0° |
| O02 | C01 | H10 | H12 | 120.0° | 120.0° |
| O02 | C01 | H11 | H12 | 120.0° | 119.9° |
| H2 | C16 | C17 | H3 | 0.3° | 0.1° |
| H4 | C18 | C19 | H6 | 26.0° | 178.6° |
| H4 | C18 | C19 | H7 | 93.5° | 61.3° |
| H4 | C18 | C06 | H15 | 73.2° | 178.6° |
| H5 | C18 | C19 | H6 | 145.8° | 61.4° |
| H5 | C18 | C19 | H7 | 26.3° | 58.7° |
| H5 | C18 | C06 | H15 | 166.9° | 61.4° |
| H6 | C19 | C20 | H8 | 33.3° | 54.5° |
| H6 | C19 | C20 | H9 | 85.5° | 174.9° |
| H7 | C19 | C20 | H8 | 152.8° | 65.6° |
| H7 | C19 | C20 | H9 | 34.0° | 54.9° |
| H10 | C01 | H11 | H12 | 120.0° | 120.1° |
| H13 | C05 | C06 | H15 | 173.0° | 174.9° |
| H14 | C05 | C06 | H15 | 53.5° | 54.6° |
