VMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C13 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | F | sing | 1.35Å | 1.35Å | |
| C17 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C10 | sing | 1.35Å | 1.34Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.36Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| N5 | C8 | doub | 1.31Å | 1.38Å | Aromatic |
| C8 | N3 | sing | 1.40Å | 1.40Å | |
| N3 | C7 | sing | 1.39Å | 1.38Å | |
| C7 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| N2 | N1 | sing | 1.26Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.29Å | 1.30Å | Aromatic |
| S1 | C6 | sing | 1.76Å | 1.76Å | Aromatic |
| C6 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C3 | S | sing | 1.71Å | 1.72Å | Aromatic |
| C3 | N | doub | 1.29Å | 1.34Å | Aromatic |
| S | C2 | sing | 1.76Å | 1.72Å | Aromatic |
| C2 | C1 | doub | 1.34Å | 1.35Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C13 | C14 | 118.3° | 120.0° |
| F1 | C13 | C12 | 117.5° | 120.0° |
| C14 | C13 | C12 | 124.1° | 120.0° |
| C13 | C14 | C15 | 118.4° | 120.0° |
| C13 | C14 | H14 | 120.8° | 120.0° |
| C13 | C12 | C17 | 114.8° | 120.0° |
| C13 | C12 | C11 | 122.7° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C15 | C14 | H14 | 120.8° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | C17 | 118.4° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 120.8° | 120.0° |
| C16 | C17 | F | 118.5° | 120.0° |
| C16 | C17 | C12 | 124.1° | 119.9° |
| C17 | C16 | H16 | 120.8° | 120.0° |
| F | C17 | C12 | 117.5° | 120.1° |
| C17 | C12 | C11 | 122.5° | 120.0° |
| C12 | C11 | N4 | 112.9° | 109.5° |
| C12 | C11 | H111 | 108.6° | 109.5° |
| C12 | C11 | H112 | 108.6° | 109.5° |
| C11 | N4 | C10 | 128.3° | 126.0° |
| C11 | N4 | N5 | 119.6° | 126.0° |
| N4 | C11 | H111 | 108.6° | 109.5° |
| N4 | C11 | H112 | 108.6° | 109.4° |
| C10 | N4 | N5 | 112.1° | 108.1° |
| N4 | C10 | C9 | 107.2° | 107.8° |
| N4 | C10 | H10 | 126.4° | 126.1° |
| N4 | N5 | C8 | 106.0° | 108.2° |
| C10 | C9 | C8 | 107.3° | 107.9° |
| C9 | C10 | H10 | 126.4° | 126.1° |
| C10 | C9 | H9 | 126.3° | 126.1° |
| C9 | C8 | N5 | 107.4° | 108.0° |
| C9 | C8 | N3 | 131.5° | 126.0° |
| C8 | C9 | H9 | 126.4° | 126.0° |
| N5 | C8 | N3 | 121.0° | 126.0° |
| C8 | N3 | C7 | 128.3° | 120.0° |
| C8 | N3 | H3 | 115.8° | 120.0° |
| N3 | C7 | N2 | 120.7° | 126.2° |
| N3 | C7 | S1 | 124.4° | 126.1° |
| C7 | N3 | H3 | 115.9° | 120.0° |
| N2 | C7 | S1 | 114.8° | 107.7° |
| C7 | N2 | N1 | 112.0° | 117.6° |
| C7 | S1 | C6 | 86.5° | 88.9° |
| N2 | N1 | C6 | 113.2° | 117.9° |
| N1 | C6 | S1 | 113.4° | 107.9° |
| N1 | C6 | C4 | 124.8° | 126.0° |
| S1 | C6 | C4 | 121.6° | 126.1° |
| C6 | C4 | C5 | 113.4° | 109.5° |
| C6 | C4 | O | 104.0° | 109.4° |
| C6 | C4 | C3 | 108.0° | 109.5° |
| C5 | C4 | O | 108.1° | 109.4° |
| C5 | C4 | C3 | 113.9° | 109.5° |
| C4 | C5 | H51C | 109.5° | 109.5° |
| C4 | C5 | H52C | 109.5° | 109.5° |
| C4 | C5 | H53C | 109.5° | 109.4° |
| O | C4 | C3 | 108.8° | 109.5° |
| C4 | O | H | 109.5° | 114.0° |
| C4 | C3 | S | 123.1° | 124.9° |
| C4 | C3 | N | 123.7° | 124.9° |
| S | C3 | N | 113.0° | 110.2° |
| C3 | S | C2 | 90.0° | 90.3° |
| C3 | N | C1 | 111.3° | 117.1° |
| S | C2 | C1 | 111.1° | 107.9° |
| S | C2 | H2 | 124.4° | 126.0° |
| C2 | C1 | N | 114.5° | 114.5° |
| C2 | C1 | C | 126.0° | 122.7° |
| C1 | C2 | H2 | 124.4° | 126.1° |
| N | C1 | C | 119.5° | 122.8° |
| C1 | C | HC1 | 109.5° | 109.4° |
| C1 | C | HC2 | 109.5° | 109.4° |
| C1 | C | HC3 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H51C | C5 | H53C | 109.4° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.4° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C13 | C14 | C12 | 179.7° | 179.7° |
| F1 | C13 | C14 | C15 | 179.8° | 180.0° |
| F1 | C13 | C12 | C17 | 179.5° | 179.6° |
| F1 | C13 | C12 | C11 | 2.4° | 0.0° |
| F1 | C13 | C14 | H14 | 0.3° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.0° |
| C14 | C13 | C12 | C17 | 0.8° | 0.7° |
| C14 | C13 | C12 | C11 | 177.3° | 179.7° |
| C13 | C14 | C15 | H15 | 178.8° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C17 | C16 | 0.2° | 0.7° |
| C13 | C12 | C17 | F | 179.8° | 179.7° |
| C13 | C12 | C17 | C11 | 178.1° | 179.6° |
| C13 | C12 | C11 | N4 | 106.4° | 90.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.7° |
| C13 | C12 | C11 | H111 | 133.1° | 150.0° |
| C13 | C12 | C11 | H112 | 14.1° | 30.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.7° | 0.0° |
| C14 | C15 | C16 | H16 | 178.3° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | F | 178.6° | 180.0° |
| C15 | C16 | C17 | C12 | 1.0° | 0.3° |
| C16 | C15 | C14 | H14 | 178.8° | 180.0° |
| C16 | C17 | F | C12 | 179.6° | 179.7° |
| C16 | C17 | C12 | C11 | 177.9° | 179.7° |
| C17 | C16 | C15 | H15 | 178.3° | 180.0° |
| F | C17 | C12 | C11 | 1.7° | 0.1° |
| F | C17 | C16 | H16 | 1.4° | 0.0° |
| C17 | C12 | C11 | N4 | 75.6° | 89.7° |
| C12 | C17 | C16 | H16 | 179.0° | 179.7° |
| C17 | C12 | C11 | H111 | 44.9° | 30.3° |
| C17 | C12 | C11 | H112 | 163.9° | 150.4° |
| C12 | C11 | N4 | H111 | 120.5° | 120.0° |
| C12 | C11 | N4 | H112 | 120.5° | 120.0° |
| C12 | C11 | N4 | C10 | 111.7° | 125.0° |
| C12 | C11 | N4 | N5 | 66.3° | 55.3° |
| C12 | C11 | H111 | H112 | 118.5° | 120.0° |
| C11 | N4 | C10 | N5 | 178.1° | 179.8° |
| C11 | N4 | C10 | C9 | 177.6° | 180.0° |
| C11 | N4 | N5 | C8 | 179.2° | 179.8° |
| N4 | C11 | H111 | H112 | 118.4° | 120.0° |
| C11 | N4 | C10 | H10 | 2.4° | 0.0° |
| N4 | C10 | C9 | H10 | 180.0° | 180.0° |
| N4 | C10 | C9 | C8 | 1.6° | 0.0° |
| C10 | N4 | N5 | C8 | 0.9° | 0.4° |
| C10 | N4 | C11 | H111 | 8.8° | 5.0° |
| C10 | N4 | C11 | H112 | 127.7° | 115.0° |
| N4 | C10 | C9 | H9 | 178.4° | 179.9° |
| N5 | N4 | C10 | C9 | 0.5° | 0.3° |
| N4 | N5 | C8 | C9 | 1.9° | 0.4° |
| N4 | N5 | C8 | N3 | 178.5° | 179.9° |
| N5 | N4 | C11 | H111 | 173.2° | 175.3° |
| N5 | N4 | C11 | H112 | 54.3° | 64.7° |
| N5 | N4 | C10 | H10 | 179.5° | 179.7° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | N5 | 2.2° | 0.2° |
| C10 | C9 | C8 | N3 | 178.4° | 180.0° |
| C9 | C8 | N5 | N3 | 176.7° | 179.8° |
| C9 | C8 | N3 | C7 | 178.3° | 0.0° |
| C8 | C9 | C10 | H10 | 178.4° | 180.0° |
| C9 | C8 | N3 | H3 | 1.7° | 179.9° |
| N5 | C8 | N3 | C7 | 2.6° | 179.7° |
| N5 | C8 | C9 | H9 | 177.8° | 179.7° |
| N5 | C8 | N3 | H3 | 177.4° | 0.3° |
| C8 | N3 | C7 | H3 | 180.0° | 180.0° |
| C8 | N3 | C7 | N2 | 179.0° | 0.1° |
| C8 | N3 | C7 | S1 | 1.5° | 179.7° |
| N3 | C8 | C9 | H9 | 1.7° | 0.1° |
| N3 | C7 | N2 | S1 | 179.5° | 179.7° |
| N3 | C7 | N2 | N1 | 179.8° | 180.0° |
| N3 | C7 | S1 | C6 | 178.2° | 180.0° |
| C7 | N2 | N1 | C6 | 2.4° | 0.1° |
| N2 | C7 | S1 | C6 | 1.3° | 0.3° |
| N2 | C7 | N3 | H3 | 1.0° | 180.0° |
| S1 | C7 | N2 | N1 | 0.3° | 0.3° |
| C7 | S1 | C6 | N1 | 2.6° | 0.3° |
| C7 | S1 | C6 | C4 | 178.0° | 179.9° |
| S1 | C7 | N3 | H3 | 178.5° | 0.3° |
| N2 | N1 | C6 | S1 | 3.3° | 0.2° |
| N2 | N1 | C6 | C4 | 178.5° | 180.0° |
| N1 | C6 | S1 | C4 | 175.4° | 179.8° |
| N1 | C6 | C4 | C5 | 4.3° | 60.1° |
| N1 | C6 | C4 | O | 121.5° | 180.0° |
| N1 | C6 | C4 | C3 | 123.0° | 60.0° |
| S1 | C6 | C4 | C5 | 170.5° | 119.7° |
| S1 | C6 | C4 | O | 53.3° | 0.3° |
| S1 | C6 | C4 | C3 | 62.2° | 120.3° |
| C6 | C4 | C5 | O | 114.8° | 119.9° |
| C6 | C4 | C5 | C3 | 124.1° | 120.0° |
| C6 | C4 | O | C3 | 115.0° | 120.0° |
| C6 | C4 | C3 | S | 90.9° | 5.1° |
| C6 | C4 | C3 | N | 84.8° | 175.3° |
| C6 | C4 | C5 | H51C | 180.0° | 60.0° |
| C6 | C4 | C5 | H52C | 60.0° | 180.0° |
| C6 | C4 | C5 | H53C | 60.0° | 60.0° |
| C6 | C4 | O | H | 180.0° | 60.1° |
| C5 | C4 | O | C3 | 124.2° | 120.1° |
| C5 | C4 | C3 | S | 142.1° | 114.9° |
| C5 | C4 | C3 | N | 42.2° | 64.7° |
| C4 | C5 | H51C | H52C | 120.0° | 120.0° |
| C4 | C5 | H51C | H53C | 120.0° | 120.0° |
| C4 | C5 | H52C | H53C | 120.0° | 119.9° |
| C5 | C4 | O | H | 59.2° | 180.0° |
| O | C4 | C3 | S | 21.4° | 125.0° |
| O | C4 | C3 | N | 162.9° | 55.3° |
| O | C4 | C5 | H51C | 65.2° | 60.0° |
| O | C4 | C5 | H52C | 174.8° | 60.1° |
| O | C4 | C5 | H53C | 54.8° | 180.0° |
| C4 | C3 | S | N | 176.1° | 179.7° |
| C4 | C3 | S | C2 | 177.8° | 180.0° |
| C4 | C3 | N | C1 | 178.0° | 179.8° |
| C3 | C4 | C5 | H51C | 55.9° | 180.0° |
| C3 | C4 | C5 | H52C | 64.1° | 60.0° |
| C3 | C4 | C5 | H53C | 175.9° | 60.0° |
| C3 | C4 | O | H | 65.0° | 59.9° |
| C3 | S | C2 | C1 | 0.9° | 0.0° |
| S | C3 | N | C1 | 2.0° | 0.6° |
| C3 | S | C2 | H2 | 179.1° | 179.9° |
| N | C3 | S | C2 | 1.7° | 0.3° |
| C3 | N | C1 | C2 | 1.3° | 0.6° |
| C3 | N | C1 | C | 177.0° | 179.7° |
| S | C2 | C1 | H2 | 180.0° | 179.9° |
| S | C2 | C1 | N | 0.0° | 0.3° |
| S | C2 | C1 | C | 178.2° | 180.0° |
| C2 | C1 | N | C | 178.3° | 179.7° |
| C2 | C1 | C | HC1 | 178.1° | 90.0° |
| C2 | C1 | C | HC2 | 58.0° | 150.0° |
| C2 | C1 | C | HC3 | 61.9° | 30.0° |
| N | C1 | C2 | H2 | 180.0° | 179.8° |
| N | C1 | C | HC1 | 0.0° | 89.7° |
| N | C1 | C | HC2 | 120.0° | 30.3° |
| N | C1 | C | HC3 | 120.0° | 150.3° |
| C | C1 | C2 | H2 | 1.9° | 0.1° |
| C1 | C | HC1 | HC2 | 120.0° | 119.9° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 1.2° | 0.1° |
| H15 | C15 | C16 | H16 | 1.7° | 0.0° |
| H10 | C10 | C9 | H9 | 1.6° | 0.1° |
| H51C | C5 | H52C | H53C | 120.0° | 120.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.1° |
