VGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C13 | sing | 1.74Å | 1.73Å | |
| C13 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | F | sing | 1.35Å | 1.33Å | |
| C12 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C21 | sing | 1.51Å | 1.53Å | |
| C18 | CL2 | sing | 1.74Å | 1.73Å | |
| C21 | C1 | sing | 1.53Å | 1.53Å | |
| C21 | O27 | sing | 1.43Å | 1.45Å | |
| O27 | C15 | sing | 1.36Å | 1.38Å | |
| C15 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | N22 | sing | 1.39Å | 1.40Å | |
| C19 | N23 | doub | 1.32Å | 1.36Å | Aromatic |
| N23 | C5 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.49Å | 1.46Å | Aromatic |
| C16 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | N24 | doub | 1.31Å | 1.34Å | Aromatic |
| C7 | N26 | sing | 1.35Å | 1.36Å | Aromatic |
| N26 | N24 | sing | 1.40Å | 1.35Å | Aromatic |
| N26 | C20 | sing | 1.46Å | 1.47Å | |
| C20 | C8 | sing | 1.53Å | 1.54Å | |
| C20 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | N25 | sing | 1.47Å | 1.50Å | |
| N25 | C11 | sing | 1.47Å | 1.50Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | 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 | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | 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) |
| CL | C13 | C3 | 113.7° | 120.0° |
| CL | C13 | C17 | 124.2° | 120.0° |
| C3 | C13 | C17 | 122.2° | 120.0° |
| C13 | C3 | C2 | 121.1° | 120.0° |
| C13 | C3 | H3 | 119.4° | 120.0° |
| C13 | C17 | C18 | 115.4° | 120.0° |
| C13 | C17 | C21 | 121.5° | 120.0° |
| C3 | C2 | C12 | 117.7° | 120.0° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C3 | C2 | H2 | 121.2° | 120.0° |
| C2 | C12 | F | 117.4° | 120.0° |
| C2 | C12 | C18 | 122.7° | 120.0° |
| C12 | C2 | H2 | 121.2° | 120.0° |
| F | C12 | C18 | 119.9° | 120.0° |
| C12 | C18 | C17 | 121.0° | 120.0° |
| C12 | C18 | CL2 | 115.2° | 120.0° |
| C18 | C17 | C21 | 123.0° | 120.0° |
| C17 | C18 | CL2 | 123.8° | 120.0° |
| C17 | C21 | C1 | 112.4° | 109.5° |
| C17 | C21 | O27 | 112.2° | 109.5° |
| C17 | C21 | H21 | 104.7° | 109.5° |
| C1 | C21 | O27 | 106.9° | 109.4° |
| C1 | C21 | H21 | 110.3° | 109.5° |
| C21 | C1 | H11C | 109.5° | 109.4° |
| C21 | C1 | H12C | 109.5° | 109.5° |
| C21 | C1 | H13C | 109.5° | 109.5° |
| C21 | O27 | C15 | 125.5° | 117.0° |
| O27 | C21 | H21 | 110.4° | 109.5° |
| O27 | C15 | C4 | 129.3° | 120.4° |
| O27 | C15 | C19 | 114.4° | 120.5° |
| C4 | C15 | C19 | 116.4° | 119.1° |
| C15 | C4 | C14 | 121.5° | 118.4° |
| C15 | C4 | H4 | 119.3° | 120.8° |
| C15 | C19 | N22 | 120.1° | 119.6° |
| C15 | C19 | N23 | 123.4° | 120.8° |
| C4 | C14 | C5 | 116.3° | 119.1° |
| C4 | C14 | C16 | 124.2° | 120.5° |
| C14 | C4 | H4 | 119.3° | 120.8° |
| N22 | C19 | N23 | 116.5° | 119.6° |
| C19 | N22 | H221 | 109.5° | 119.9° |
| C19 | N22 | H222 | 109.5° | 120.0° |
| C19 | N23 | C5 | 118.2° | 121.8° |
| N23 | C5 | C14 | 124.3° | 120.8° |
| N23 | C5 | H5 | 117.8° | 119.7° |
| C5 | C14 | C16 | 119.5° | 120.4° |
| C14 | C5 | H5 | 117.9° | 119.5° |
| C14 | C16 | C6 | 133.0° | 126.2° |
| C14 | C16 | C7 | 124.3° | 126.3° |
| C6 | C16 | C7 | 102.6° | 107.5° |
| C16 | C6 | N24 | 113.3° | 108.1° |
| C16 | C6 | H6 | 123.3° | 126.0° |
| C16 | C7 | N26 | 108.1° | 107.6° |
| C16 | C7 | H7 | 125.9° | 126.2° |
| C6 | N24 | N26 | 103.9° | 108.5° |
| N24 | C6 | H6 | 123.4° | 125.9° |
| C7 | N26 | N24 | 112.1° | 108.2° |
| C7 | N26 | C20 | 126.6° | 125.9° |
| N26 | C7 | H7 | 125.9° | 126.2° |
| N24 | N26 | C20 | 121.3° | 125.9° |
| N26 | C20 | C8 | 116.7° | 109.5° |
| N26 | C20 | C9 | 114.6° | 109.6° |
| N26 | C20 | H20 | 101.3° | 109.5° |
| C8 | C20 | C9 | 113.7° | 109.1° |
| C20 | C8 | C10 | 117.3° | 109.3° |
| C8 | C20 | H20 | 102.7° | 109.5° |
| C20 | C8 | H81C | 106.9° | 109.5° |
| C20 | C8 | H82C | 105.2° | 109.5° |
| C20 | C9 | C11 | 114.5° | 109.3° |
| C9 | C20 | H20 | 105.5° | 109.6° |
| C20 | C9 | H91C | 107.8° | 109.5° |
| C20 | C9 | H92C | 106.7° | 109.5° |
| C8 | C10 | N25 | 112.5° | 109.5° |
| C10 | C8 | H81C | 106.9° | 109.5° |
| C10 | C8 | H82C | 105.1° | 109.5° |
| C8 | C10 | H101 | 108.5° | 109.5° |
| C8 | C10 | H102 | 107.8° | 109.5° |
| C10 | N25 | C11 | 116.0° | 111.2° |
| N25 | C10 | H101 | 108.5° | 109.4° |
| N25 | C10 | H102 | 107.8° | 109.5° |
| C10 | N25 | H25 | 107.4° | 111.0° |
| N25 | C11 | C9 | 110.0° | 109.5° |
| C11 | N25 | H25 | 107.4° | 111.0° |
| N25 | C11 | H111 | 109.3° | 109.5° |
| N25 | C11 | H112 | 109.2° | 109.5° |
| C11 | C9 | H91C | 107.8° | 109.5° |
| C11 | C9 | H92C | 106.7° | 109.5° |
| C9 | C11 | H111 | 109.3° | 109.5° |
| C9 | C11 | H112 | 109.2° | 109.4° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H221 | N22 | H222 | 109.5° | 120.1° |
| H81C | C8 | H82C | 115.8° | 109.5° |
| H91C | C9 | H92C | 113.5° | 109.6° |
| H101 | C10 | H102 | 111.8° | 109.4° |
| H111 | C11 | H112 | 109.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C13 | C3 | C17 | 179.4° | 179.7° |
| CL | C13 | C3 | C2 | 178.9° | 180.0° |
| CL | C13 | C17 | C18 | 179.3° | 179.7° |
| CL | C13 | C17 | C21 | 1.4° | 0.0° |
| CL | C13 | C3 | H3 | 1.1° | 0.1° |
| C13 | C3 | C2 | H3 | 180.0° | 179.9° |
| C13 | C3 | C2 | C12 | 0.3° | 0.0° |
| C3 | C13 | C17 | C18 | 0.1° | 0.6° |
| C3 | C13 | C17 | C21 | 179.3° | 179.7° |
| C13 | C3 | C2 | H2 | 179.7° | 179.9° |
| C17 | C13 | C3 | C2 | 0.5° | 0.3° |
| C13 | C17 | C18 | C12 | 0.5° | 0.5° |
| C13 | C17 | C18 | C21 | 179.3° | 179.7° |
| C13 | C17 | C18 | CL2 | 179.3° | 179.7° |
| C13 | C17 | C21 | C1 | 119.5° | 105.0° |
| C13 | C17 | C21 | O27 | 120.0° | 135.0° |
| C17 | C13 | C3 | H3 | 179.5° | 179.8° |
| C13 | C17 | C21 | H21 | 0.2° | 15.0° |
| C3 | C2 | C12 | H2 | 180.0° | 179.9° |
| C3 | C2 | C12 | F | 179.8° | 180.0° |
| C3 | C2 | C12 | C18 | 0.2° | 0.0° |
| C2 | C12 | F | C18 | 179.6° | 180.0° |
| C2 | C12 | C18 | C17 | 0.7° | 0.3° |
| C2 | C12 | C18 | CL2 | 179.5° | 180.0° |
| C12 | C2 | C3 | H3 | 179.7° | 179.9° |
| F | C12 | C18 | C17 | 179.8° | 179.7° |
| F | C12 | C18 | CL2 | 0.9° | 0.0° |
| F | C12 | C2 | H2 | 0.2° | 0.1° |
| C12 | C18 | C17 | CL2 | 178.8° | 179.7° |
| C12 | C18 | C17 | C21 | 179.8° | 179.7° |
| C18 | C12 | C2 | H2 | 179.8° | 179.9° |
| C18 | C17 | C21 | C1 | 61.2° | 74.7° |
| C18 | C17 | C21 | O27 | 59.3° | 45.2° |
| C18 | C17 | C21 | H21 | 179.1° | 165.3° |
| C21 | C17 | C18 | CL2 | 1.4° | 0.0° |
| C17 | C21 | C1 | O27 | 123.5° | 120.0° |
| C17 | C21 | C1 | H21 | 116.4° | 120.0° |
| C17 | C21 | O27 | H21 | 116.4° | 120.0° |
| C17 | C21 | O27 | C15 | 74.0° | 154.7° |
| C17 | C21 | C1 | H11C | 113.1° | 60.0° |
| C17 | C21 | C1 | H12C | 126.9° | 60.0° |
| C17 | C21 | C1 | H13C | 6.9° | 180.0° |
| C1 | C21 | O27 | H21 | 120.0° | 120.0° |
| C1 | C21 | O27 | C15 | 162.4° | 85.3° |
| 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 | 0.8° | 5.4° |
| C21 | O27 | C15 | C19 | 179.2° | 174.8° |
| O27 | C21 | C1 | H11C | 10.5° | 180.0° |
| O27 | C21 | C1 | H12C | 109.6° | 60.0° |
| O27 | C21 | C1 | H13C | 130.4° | 60.0° |
| O27 | C15 | C4 | C19 | 180.0° | 179.8° |
| O27 | C15 | C4 | C14 | 179.2° | 180.0° |
| O27 | C15 | C19 | N22 | 0.5° | 0.0° |
| O27 | C15 | C19 | N23 | 179.2° | 180.0° |
| C15 | O27 | C21 | H21 | 42.4° | 34.7° |
| O27 | C15 | C4 | H4 | 0.8° | 0.0° |
| C15 | C4 | C14 | H4 | 180.0° | 179.9° |
| C4 | C15 | C19 | N22 | 179.5° | 179.8° |
| C4 | C15 | C19 | N23 | 0.8° | 0.2° |
| C15 | C4 | C14 | C5 | 0.5° | 0.0° |
| C15 | C4 | C14 | C16 | 178.9° | 180.0° |
| C19 | C15 | C4 | C14 | 0.8° | 0.2° |
| C15 | C19 | N22 | N23 | 179.7° | 179.9° |
| C15 | C19 | N23 | C5 | 0.5° | 0.0° |
| C19 | C15 | C4 | H4 | 179.2° | 179.8° |
| C15 | C19 | N22 | H221 | 96.1° | 0.1° |
| C15 | C19 | N22 | H222 | 143.9° | 180.0° |
| C4 | C14 | C5 | N23 | 0.2° | 0.2° |
| C4 | C14 | C5 | C16 | 178.5° | 180.0° |
| C4 | C14 | C16 | C6 | 12.5° | 0.0° |
| C4 | C14 | C16 | C7 | 170.8° | 179.7° |
| C4 | C14 | C5 | H5 | 179.8° | 179.9° |
| N22 | C19 | N23 | C5 | 179.8° | 180.0° |
| C19 | N22 | H221 | H222 | 120.0° | 180.0° |
| C19 | N23 | C5 | C14 | 0.2° | 0.2° |
| N23 | C19 | N22 | H221 | 84.2° | 180.0° |
| N23 | C19 | N22 | H222 | 35.8° | 0.0° |
| C19 | N23 | C5 | H5 | 179.8° | 180.0° |
| N23 | C5 | C14 | H5 | 180.0° | 179.7° |
| N23 | C5 | C14 | C16 | 178.7° | 179.8° |
| C5 | C14 | C16 | C6 | 165.8° | 180.0° |
| C5 | C14 | C16 | C7 | 10.9° | 0.3° |
| C5 | C14 | C4 | H4 | 179.5° | 180.0° |
| C14 | C16 | C6 | C7 | 177.2° | 179.7° |
| C14 | C16 | C6 | N24 | 178.4° | 180.0° |
| C14 | C16 | C7 | N26 | 178.7° | 180.0° |
| C16 | C14 | C4 | H4 | 1.1° | 0.0° |
| C16 | C14 | C5 | H5 | 1.3° | 0.1° |
| C14 | C16 | C6 | H6 | 1.6° | 0.0° |
| C14 | C16 | C7 | H7 | 1.3° | 0.0° |
| C16 | C6 | N24 | H6 | 180.0° | 180.0° |
| C6 | C16 | C7 | N26 | 1.1° | 0.3° |
| C16 | C6 | N24 | N26 | 0.7° | 0.2° |
| C6 | C16 | C7 | H7 | 178.8° | 179.8° |
| C7 | C16 | C6 | N24 | 1.2° | 0.3° |
| C16 | C7 | N26 | H7 | 180.0° | 180.0° |
| C16 | C7 | N26 | N24 | 0.8° | 0.2° |
| C16 | C7 | N26 | C20 | 178.9° | 180.0° |
| C7 | C16 | C6 | H6 | 178.8° | 179.7° |
| C6 | N24 | N26 | C7 | 0.1° | 0.0° |
| C6 | N24 | N26 | C20 | 179.6° | 179.9° |
| C7 | N26 | N24 | C20 | 179.7° | 179.9° |
| C7 | N26 | C20 | C8 | 103.6° | 85.0° |
| C7 | N26 | C20 | C9 | 120.0° | 34.7° |
| C7 | N26 | C20 | H20 | 6.9° | 154.9° |
| N24 | N26 | C20 | C8 | 76.7° | 94.8° |
| N24 | N26 | C20 | C9 | 59.7° | 145.5° |
| N26 | N24 | C6 | H6 | 179.3° | 179.8° |
| N24 | N26 | C7 | H7 | 179.1° | 179.9° |
| N24 | N26 | C20 | H20 | 172.8° | 25.3° |
| N26 | C20 | C8 | C9 | 136.8° | 119.9° |
| N26 | C20 | C8 | H20 | 109.8° | 120.1° |
| N26 | C20 | C9 | H20 | 110.5° | 120.1° |
| N26 | C20 | C8 | C10 | 101.0° | 177.6° |
| N26 | C20 | C9 | C11 | 94.8° | 177.6° |
| C20 | N26 | C7 | H7 | 1.1° | 0.0° |
| N26 | C20 | C8 | H81C | 139.1° | 62.5° |
| N26 | C20 | C8 | H82C | 15.4° | 57.6° |
| N26 | C20 | C9 | H91C | 25.2° | 57.6° |
| N26 | C20 | C9 | H92C | 147.4° | 62.5° |
| C8 | C20 | C9 | H20 | 111.7° | 119.9° |
| C20 | C8 | C10 | H81C | 120.0° | 119.9° |
| C20 | C8 | C10 | H82C | 116.4° | 120.0° |
| C20 | C8 | C10 | N25 | 38.2° | 59.2° |
| C8 | C20 | C9 | C11 | 42.9° | 57.6° |
| C20 | C8 | H81C | H82C | 116.8° | 120.1° |
| C8 | C20 | C9 | H91C | 163.0° | 62.3° |
| C8 | C20 | C9 | H92C | 74.8° | 177.6° |
| C20 | C8 | C10 | H101 | 158.2° | 60.8° |
| C20 | C8 | C10 | H102 | 80.6° | 179.2° |
| C9 | C20 | C8 | C10 | 35.8° | 57.7° |
| C20 | C9 | C11 | N25 | 52.3° | 59.2° |
| C20 | C9 | C11 | H91C | 120.0° | 119.9° |
| C20 | C9 | C11 | H92C | 117.8° | 119.9° |
| C9 | C20 | C8 | H81C | 84.1° | 177.6° |
| C9 | C20 | C8 | H82C | 152.2° | 62.3° |
| C20 | C9 | H91C | H92C | 117.9° | 120.0° |
| C20 | C9 | C11 | H111 | 172.3° | 60.9° |
| C20 | C9 | C11 | H112 | 67.4° | 179.2° |
| C8 | C10 | N25 | H101 | 120.0° | 120.0° |
| C8 | C10 | N25 | H102 | 118.7° | 120.0° |
| C8 | C10 | N25 | C11 | 49.3° | 61.8° |
| C10 | C8 | C20 | H20 | 149.3° | 62.3° |
| C10 | C8 | H81C | H82C | 116.8° | 120.1° |
| C8 | C10 | H101 | H102 | 118.8° | 120.0° |
| C8 | C10 | N25 | H25 | 70.7° | 174.2° |
| C10 | N25 | C11 | H25 | 120.0° | 124.1° |
| C10 | N25 | C11 | C9 | 56.4° | 61.8° |
| N25 | C10 | C8 | H81C | 81.8° | 179.1° |
| N25 | C10 | C8 | H82C | 154.5° | 60.8° |
| N25 | C10 | H101 | H102 | 118.7° | 119.9° |
| C10 | N25 | C11 | H111 | 176.4° | 58.3° |
| C10 | N25 | C11 | H112 | 63.4° | 178.3° |
| N25 | C11 | C9 | H111 | 120.0° | 120.1° |
| N25 | C11 | C9 | H112 | 119.8° | 120.0° |
| N25 | C11 | C9 | H91C | 172.3° | 60.7° |
| N25 | C11 | C9 | H92C | 65.4° | 179.1° |
| C11 | N25 | C10 | H101 | 169.3° | 58.3° |
| C11 | N25 | C10 | H102 | 69.5° | 178.2° |
| N25 | C11 | H111 | H112 | 119.8° | 120.0° |
| C11 | C9 | C20 | H20 | 154.7° | 62.3° |
| C11 | C9 | H91C | H92C | 117.9° | 120.2° |
| C9 | C11 | N25 | H25 | 63.6° | 174.1° |
| C9 | C11 | H111 | H112 | 119.8° | 119.9° |
| H3 | C3 | C2 | H2 | 0.3° | 0.0° |
| H21 | C21 | C1 | H11C | 130.5° | 60.0° |
| H21 | C21 | C1 | H12C | 10.5° | 180.0° |
| H21 | C21 | C1 | H13C | 109.5° | 60.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H20 | C20 | C8 | H81C | 29.3° | 57.7° |
| H20 | C20 | C8 | H82C | 94.4° | 177.7° |
| H20 | C20 | C9 | H91C | 85.3° | 177.8° |
| H20 | C20 | C9 | H92C | 36.9° | 57.6° |
| H81C | C8 | C10 | H101 | 38.2° | 59.1° |
| H81C | C8 | C10 | H102 | 159.4° | 60.9° |
| H82C | C8 | C10 | H101 | 85.4° | 179.2° |
| H82C | C8 | C10 | H102 | 35.8° | 59.2° |
| H91C | C9 | C11 | H111 | 67.7° | 179.2° |
| H91C | C9 | C11 | H112 | 52.6° | 59.3° |
| H92C | C9 | C11 | H111 | 54.6° | 59.0° |
| H92C | C9 | C11 | H112 | 174.8° | 60.9° |
| H101 | C10 | N25 | H25 | 49.3° | 65.8° |
| H102 | C10 | N25 | H25 | 170.5° | 54.1° |
| H25 | N25 | C11 | H111 | 56.4° | 65.8° |
| H25 | N25 | C11 | H112 | 176.6° | 54.2° |
