VHS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C18 | sing | 1.74Å | 1.68Å | |
| C18 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | F | sing | 1.35Å | 1.39Å | |
| C12 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | CL | sing | 1.74Å | 1.68Å | |
| C13 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C21 | sing | 1.51Å | 1.44Å | |
| C21 | C1 | sing | 1.53Å | 1.53Å | |
| C21 | O27 | sing | 1.43Å | 1.45Å | |
| O27 | C15 | sing | 1.36Å | 1.37Å | |
| C15 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | N22 | sing | 1.39Å | 1.34Å | |
| C19 | N23 | doub | 1.32Å | 1.33Å | Aromatic |
| N23 | C5 | sing | 1.32Å | 1.41Å | Aromatic |
| C5 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.49Å | 1.36Å | |
| C16 | C7 | doub | 1.36Å | 1.34Å | Aromatic |
| C16 | C6 | sing | 1.41Å | 1.33Å | Aromatic |
| C7 | N26 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | N24 | doub | 1.31Å | 1.34Å | Aromatic |
| N24 | N26 | sing | 1.40Å | 1.26Å | Aromatic |
| N26 | C20 | sing | 1.46Å | 1.50Å | |
| C20 | C8 | sing | 1.53Å | 1.50Å | |
| C20 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | N25 | sing | 1.47Å | 1.48Å | |
| N25 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C9 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N25 | H25 | sing | 1.01Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C18 | C12 | 116.4° | 120.0° |
| CL2 | C18 | C17 | 121.8° | 120.0° |
| C12 | C18 | C17 | 121.8° | 120.0° |
| C18 | C12 | F | 120.5° | 120.0° |
| C18 | C12 | C2 | 120.0° | 119.9° |
| C18 | C17 | C13 | 116.8° | 120.0° |
| C18 | C17 | C21 | 120.9° | 120.0° |
| F | C12 | C2 | 119.5° | 120.0° |
| C12 | C2 | C3 | 119.5° | 120.0° |
| C12 | C2 | H2 | 120.2° | 120.0° |
| C2 | C3 | C13 | 120.7° | 120.1° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C3 | C13 | CL | 116.8° | 120.0° |
| C3 | C13 | C17 | 121.2° | 120.0° |
| C13 | C3 | H3 | 119.6° | 120.0° |
| CL | C13 | C17 | 122.0° | 120.0° |
| C13 | C17 | C21 | 122.3° | 120.0° |
| C17 | C21 | C1 | 111.7° | 109.4° |
| C17 | C21 | O27 | 113.4° | 109.5° |
| C17 | C21 | H21 | 108.7° | 109.5° |
| C1 | C21 | O27 | 106.7° | 109.5° |
| C1 | C21 | H21 | 107.5° | 109.5° |
| C21 | C1 | H11C | 109.5° | 109.5° |
| C21 | C1 | H12C | 109.4° | 109.5° |
| C21 | C1 | H13C | 109.5° | 109.5° |
| C21 | O27 | C15 | 120.4° | 117.0° |
| O27 | C21 | H21 | 108.6° | 109.5° |
| O27 | C15 | C4 | 126.2° | 120.4° |
| O27 | C15 | C19 | 114.4° | 120.4° |
| C4 | C15 | C19 | 119.5° | 119.1° |
| C15 | C4 | C14 | 121.9° | 118.4° |
| C15 | C4 | H4 | 119.1° | 120.8° |
| C15 | C19 | N22 | 118.5° | 119.6° |
| C15 | C19 | N23 | 119.3° | 120.8° |
| C4 | C14 | C5 | 116.7° | 119.2° |
| C4 | C14 | C16 | 120.9° | 120.5° |
| C14 | C4 | H4 | 119.1° | 120.8° |
| N22 | C19 | N23 | 122.1° | 119.6° |
| C19 | N22 | H221 | 109.5° | 120.0° |
| C19 | N22 | H222 | 109.5° | 120.1° |
| C19 | N23 | C5 | 122.3° | 121.8° |
| N23 | C5 | C14 | 120.3° | 120.8° |
| N23 | C5 | H5 | 119.8° | 119.6° |
| C5 | C14 | C16 | 122.5° | 120.4° |
| C14 | C5 | H5 | 119.8° | 119.6° |
| C14 | C16 | C7 | 127.6° | 126.3° |
| C14 | C16 | C6 | 125.7° | 126.2° |
| C7 | C16 | C6 | 106.7° | 107.5° |
| C16 | C7 | N26 | 107.3° | 107.6° |
| C16 | C7 | H7 | 126.3° | 126.2° |
| C16 | C6 | N24 | 107.8° | 108.1° |
| C16 | C6 | H6 | 126.1° | 125.9° |
| C7 | N26 | N24 | 109.0° | 108.2° |
| C7 | N26 | C20 | 130.4° | 125.9° |
| N26 | C7 | H7 | 126.4° | 126.2° |
| C6 | N24 | N26 | 109.2° | 108.5° |
| N24 | C6 | H6 | 126.1° | 126.0° |
| N24 | N26 | C20 | 120.6° | 125.9° |
| N26 | C20 | C8 | 112.9° | 109.5° |
| N26 | C20 | C9 | 113.5° | 109.5° |
| N26 | C20 | H20 | 107.6° | 109.6° |
| C8 | C20 | C9 | 107.7° | 109.2° |
| C20 | C8 | C10 | 108.3° | 109.2° |
| C8 | C20 | H20 | 107.6° | 109.5° |
| C20 | C8 | H81C | 109.8° | 109.5° |
| C20 | C8 | H82C | 109.8° | 109.5° |
| C20 | C9 | C11 | 107.7° | 109.3° |
| C9 | C20 | H20 | 107.3° | 109.6° |
| C20 | C9 | H91C | 109.9° | 109.5° |
| C20 | C9 | H92C | 109.9° | 109.5° |
| C8 | C10 | N25 | 112.1° | 109.6° |
| C10 | C8 | H81C | 109.7° | 109.5° |
| C10 | C8 | H82C | 109.8° | 109.5° |
| C8 | C10 | H101 | 108.8° | 109.4° |
| C8 | C10 | H102 | 108.8° | 109.5° |
| C10 | N25 | C11 | 109.1° | 111.2° |
| N25 | C10 | H101 | 108.8° | 109.5° |
| N25 | C10 | H102 | 108.8° | 109.5° |
| C10 | N25 | H25 | 109.6° | 111.0° |
| N25 | C11 | C9 | 103.9° | 109.5° |
| C11 | N25 | H25 | 109.6° | 111.0° |
| N25 | C11 | H111 | 110.9° | 109.4° |
| N25 | C11 | H112 | 110.9° | 109.5° |
| C11 | C9 | H91C | 109.9° | 109.5° |
| C11 | C9 | H92C | 109.9° | 109.5° |
| C9 | C11 | H111 | 110.8° | 109.4° |
| C9 | C11 | H112 | 110.9° | 109.4° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H221 | N22 | H222 | 109.5° | 119.9° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.6° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C18 | C12 | C17 | 179.8° | 179.7° |
| CL2 | C18 | C12 | F | 0.1° | 0.0° |
| CL2 | C18 | C12 | C2 | 179.6° | 180.0° |
| CL2 | C18 | C17 | C13 | 179.7° | 179.7° |
| CL2 | C18 | C17 | C21 | 0.4° | 0.0° |
| C18 | C12 | F | C2 | 179.7° | 180.0° |
| C18 | C12 | C2 | C3 | 0.3° | 0.0° |
| C12 | C18 | C17 | C13 | 0.6° | 0.6° |
| C12 | C18 | C17 | C21 | 179.4° | 179.8° |
| C18 | C12 | C2 | H2 | 179.8° | 180.0° |
| C17 | C18 | C12 | F | 179.7° | 179.7° |
| C17 | C18 | C12 | C2 | 0.6° | 0.3° |
| C18 | C17 | C13 | C3 | 0.2° | 0.6° |
| C18 | C17 | C13 | CL | 179.1° | 179.7° |
| C18 | C17 | C13 | C21 | 180.0° | 179.7° |
| C18 | C17 | C21 | C1 | 106.3° | 105.0° |
| C18 | C17 | C21 | O27 | 133.0° | 135.0° |
| C18 | C17 | C21 | H21 | 12.1° | 14.9° |
| F | C12 | C2 | C3 | 180.0° | 180.0° |
| F | C12 | C2 | H2 | 0.1° | 0.0° |
| C12 | C2 | C3 | H2 | 180.0° | 179.9° |
| C12 | C2 | C3 | C13 | 0.1° | 0.1° |
| C12 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C3 | C13 | H3 | 180.0° | 179.9° |
| C2 | C3 | C13 | CL | 179.5° | 180.0° |
| C2 | C3 | C13 | C17 | 0.2° | 0.3° |
| C3 | C13 | CL | C17 | 179.3° | 179.7° |
| C3 | C13 | C17 | C21 | 179.8° | 179.7° |
| C13 | C3 | C2 | H2 | 179.9° | 180.0° |
| CL | C13 | C17 | C21 | 0.9° | 0.0° |
| CL | C13 | C3 | H3 | 0.5° | 0.0° |
| C13 | C17 | C21 | C1 | 73.7° | 75.3° |
| C13 | C17 | C21 | O27 | 47.0° | 44.7° |
| C17 | C13 | C3 | H3 | 179.8° | 179.7° |
| C13 | C17 | C21 | H21 | 167.8° | 164.7° |
| C17 | C21 | C1 | O27 | 124.5° | 120.0° |
| C17 | C21 | C1 | H21 | 119.1° | 120.0° |
| C17 | C21 | O27 | H21 | 120.9° | 120.0° |
| C17 | C21 | O27 | C15 | 63.9° | 155.1° |
| C17 | C21 | C1 | H11C | 180.0° | 179.9° |
| C17 | C21 | C1 | H12C | 60.0° | 60.0° |
| C17 | C21 | C1 | H13C | 60.0° | 60.0° |
| C1 | C21 | O27 | H21 | 115.6° | 120.0° |
| C1 | C21 | O27 | C15 | 172.6° | 84.9° |
| C21 | C1 | H11C | H12C | 120.0° | 120.0° |
| C21 | C1 | H11C | H13C | 120.0° | 120.0° |
| C21 | C1 | H12C | H13C | 120.0° | 120.0° |
| C21 | O27 | C15 | C4 | 1.0° | 5.5° |
| C21 | O27 | C15 | C19 | 179.2° | 174.2° |
| O27 | C21 | C1 | H11C | 55.5° | 60.0° |
| O27 | C21 | C1 | H12C | 64.5° | 60.0° |
| O27 | C21 | C1 | H13C | 175.5° | 180.0° |
| O27 | C15 | C4 | C19 | 179.9° | 179.7° |
| O27 | C15 | C4 | C14 | 180.0° | 180.0° |
| O27 | C15 | C19 | N22 | 0.6° | 0.0° |
| O27 | C15 | C19 | N23 | 179.6° | 180.0° |
| C15 | O27 | C21 | H21 | 57.0° | 35.1° |
| O27 | C15 | C4 | H4 | 0.1° | 0.1° |
| C15 | C4 | C14 | H4 | 180.0° | 180.0° |
| C4 | C15 | C19 | N22 | 179.5° | 179.7° |
| C4 | C15 | C19 | N23 | 0.5° | 0.3° |
| C15 | C4 | C14 | C5 | 0.1° | 0.0° |
| C15 | C4 | C14 | C16 | 179.6° | 180.0° |
| C19 | C15 | C4 | C14 | 0.1° | 0.3° |
| C15 | C19 | N22 | N23 | 179.0° | 180.0° |
| C15 | C19 | N23 | C5 | 0.9° | 0.0° |
| C19 | C15 | C4 | H4 | 179.9° | 179.8° |
| C15 | C19 | N22 | H221 | 179.0° | 0.1° |
| C15 | C19 | N22 | H222 | 61.0° | 180.0° |
| C4 | C14 | C5 | N23 | 0.5° | 0.2° |
| C4 | C14 | C5 | C16 | 179.7° | 180.0° |
| C4 | C14 | C16 | C7 | 32.3° | 180.0° |
| C4 | C14 | C16 | C6 | 146.9° | 0.3° |
| C4 | C14 | C5 | H5 | 179.5° | 180.0° |
| N22 | C19 | N23 | C5 | 179.9° | 179.9° |
| C19 | N22 | H221 | H222 | 120.0° | 179.9° |
| C19 | N23 | C5 | C14 | 1.0° | 0.2° |
| N23 | C19 | N22 | H221 | 0.0° | 180.0° |
| N23 | C19 | N22 | H222 | 120.0° | 0.0° |
| C19 | N23 | C5 | H5 | 179.0° | 180.0° |
| N23 | C5 | C14 | H5 | 180.0° | 179.8° |
| N23 | C5 | C14 | C16 | 179.2° | 179.8° |
| C5 | C14 | C16 | C7 | 147.9° | 0.0° |
| C5 | C14 | C16 | C6 | 32.9° | 179.7° |
| C5 | C14 | C4 | H4 | 179.9° | 180.0° |
| C14 | C16 | C7 | C6 | 179.3° | 179.8° |
| C14 | C16 | C7 | N26 | 179.8° | 180.0° |
| C14 | C16 | C6 | N24 | 179.4° | 180.0° |
| C16 | C14 | C4 | H4 | 0.4° | 0.0° |
| C16 | C14 | C5 | H5 | 0.8° | 0.0° |
| C14 | C16 | C7 | H7 | 0.1° | 0.0° |
| C14 | C16 | C6 | H6 | 0.6° | 0.1° |
| C16 | C7 | N26 | H7 | 180.0° | 180.0° |
| C7 | C16 | C6 | N24 | 0.0° | 0.2° |
| C16 | C7 | N26 | N24 | 0.8° | 0.1° |
| C16 | C7 | N26 | C20 | 179.6° | 180.0° |
| C7 | C16 | C6 | H6 | 180.0° | 179.7° |
| C6 | C16 | C7 | N26 | 0.5° | 0.2° |
| C16 | C6 | N24 | H6 | 180.0° | 179.9° |
| C16 | C6 | N24 | N26 | 0.5° | 0.1° |
| C6 | C16 | C7 | H7 | 179.5° | 179.8° |
| C7 | N26 | N24 | C6 | 0.8° | 0.0° |
| C7 | N26 | N24 | C20 | 179.0° | 179.8° |
| C7 | N26 | C20 | C8 | 110.7° | 85.0° |
| C7 | N26 | C20 | C9 | 12.3° | 34.7° |
| C7 | N26 | C20 | H20 | 130.8° | 154.9° |
| C6 | N24 | N26 | C20 | 179.7° | 179.9° |
| N24 | N26 | C20 | C8 | 70.6° | 94.8° |
| N24 | N26 | C20 | C9 | 166.5° | 145.5° |
| N24 | N26 | C7 | H7 | 179.2° | 179.9° |
| N26 | N24 | C6 | H6 | 179.5° | 179.8° |
| N24 | N26 | C20 | H20 | 47.9° | 25.3° |
| N26 | C20 | C8 | C9 | 126.1° | 119.9° |
| N26 | C20 | C8 | H20 | 118.5° | 120.1° |
| N26 | C20 | C9 | H20 | 118.7° | 120.2° |
| N26 | C20 | C8 | C10 | 177.1° | 177.5° |
| N26 | C20 | C9 | C11 | 168.9° | 177.6° |
| C20 | N26 | C7 | H7 | 0.4° | 0.0° |
| N26 | C20 | C8 | H81C | 63.1° | 57.6° |
| N26 | C20 | C8 | H82C | 57.3° | 62.5° |
| N26 | C20 | C9 | H91C | 49.1° | 62.5° |
| N26 | C20 | C9 | H92C | 71.4° | 57.7° |
| C8 | C20 | C9 | H20 | 115.6° | 119.9° |
| C20 | C8 | C10 | H81C | 119.8° | 119.9° |
| C20 | C8 | C10 | H82C | 119.8° | 120.0° |
| C20 | C8 | C10 | N25 | 56.1° | 59.2° |
| C8 | C20 | C9 | C11 | 65.4° | 57.6° |
| C20 | C8 | H81C | H82C | 120.6° | 120.1° |
| C8 | C20 | C9 | H91C | 174.9° | 177.6° |
| C8 | C20 | C9 | H92C | 54.3° | 62.2° |
| C20 | C8 | C10 | H101 | 176.5° | 179.2° |
| C20 | C8 | C10 | H102 | 64.3° | 60.9° |
| C9 | C20 | C8 | C10 | 56.7° | 57.6° |
| C20 | C9 | C11 | N25 | 69.1° | 59.2° |
| C20 | C9 | C11 | H91C | 119.7° | 120.0° |
| C20 | C9 | C11 | H92C | 119.7° | 119.9° |
| C9 | C20 | C8 | H81C | 63.1° | 62.3° |
| C9 | C20 | C8 | H82C | 176.6° | 177.6° |
| C20 | C9 | H91C | H92C | 120.8° | 120.1° |
| C20 | C9 | C11 | H111 | 171.8° | 179.1° |
| C20 | C9 | C11 | H112 | 50.0° | 60.9° |
| C8 | C10 | N25 | H101 | 120.4° | 120.0° |
| C8 | C10 | N25 | H102 | 120.4° | 120.1° |
| C8 | C10 | N25 | C11 | 62.7° | 61.8° |
| C10 | C8 | C20 | H20 | 58.6° | 62.3° |
| C10 | C8 | H81C | H82C | 120.5° | 120.1° |
| C8 | C10 | H101 | H102 | 118.8° | 120.0° |
| C8 | C10 | N25 | H25 | 57.2° | 62.3° |
| C10 | N25 | C11 | H25 | 119.9° | 124.1° |
| C10 | N25 | C11 | C9 | 66.7° | 61.7° |
| N25 | C10 | C8 | H81C | 63.7° | 60.7° |
| N25 | C10 | C8 | H82C | 176.0° | 179.2° |
| N25 | C10 | H101 | H102 | 118.8° | 120.0° |
| C10 | N25 | C11 | H111 | 174.2° | 178.3° |
| C10 | N25 | C11 | H112 | 52.5° | 58.3° |
| N25 | C11 | C9 | H111 | 119.1° | 120.0° |
| N25 | C11 | C9 | H112 | 119.1° | 120.0° |
| N25 | C11 | C9 | H91C | 171.2° | 179.1° |
| N25 | C11 | C9 | H92C | 50.6° | 60.8° |
| C11 | N25 | C10 | H101 | 176.9° | 178.2° |
| C11 | N25 | C10 | H102 | 57.7° | 58.3° |
| N25 | C11 | H111 | H112 | 122.6° | 120.0° |
| C11 | C9 | C20 | H20 | 50.1° | 62.3° |
| C11 | C9 | H91C | H92C | 120.8° | 120.1° |
| C9 | C11 | N25 | H25 | 53.3° | 62.3° |
| C9 | C11 | H111 | H112 | 122.6° | 120.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| H21 | C21 | C1 | H11C | 60.9° | 60.0° |
| H21 | C21 | C1 | H12C | 179.1° | 180.0° |
| H21 | C21 | C1 | H13C | 59.1° | 60.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H20 | C20 | C8 | H81C | 178.4° | 177.8° |
| H20 | C20 | C8 | H82C | 61.2° | 57.7° |
| H20 | C20 | C9 | H91C | 69.6° | 57.7° |
| H20 | C20 | C9 | H92C | 169.8° | 177.8° |
| H81C | C8 | C10 | H101 | 56.7° | 59.3° |
| H81C | C8 | C10 | H102 | 175.9° | 179.2° |
| H82C | C8 | C10 | H101 | 63.7° | 60.8° |
| H82C | C8 | C10 | H102 | 55.6° | 59.1° |
| H91C | C9 | C11 | H111 | 52.1° | 60.9° |
| H91C | C9 | C11 | H112 | 69.7° | 59.1° |
| H92C | C9 | C11 | H111 | 68.5° | 59.2° |
| H92C | C9 | C11 | H112 | 169.7° | 179.2° |
| H101 | C10 | N25 | H25 | 63.1° | 57.7° |
| H102 | C10 | N25 | H25 | 177.6° | 177.6° |
| H25 | N25 | C11 | H111 | 65.8° | 57.6° |
| H25 | N25 | C11 | H112 | 172.4° | 177.7° |
