5VC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| CL3 | C26 | sing | 1.74Å | 1.74Å | |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | N22 | sing | 1.32Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.33Å | 1.37Å | Aromatic |
| C29 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | F30 | sing | 1.35Å | 1.34Å | |
| N22 | C18 | doub | 1.30Å | 1.31Å | Aromatic |
| C20 | S19 | sing | 1.76Å | 1.74Å | Aromatic |
| C24 | O23 | sing | 1.36Å | 1.37Å | |
| C18 | S19 | sing | 1.71Å | 1.73Å | Aromatic |
| C18 | N17 | sing | 1.39Å | 1.43Å | |
| N17 | C13 | sing | 1.39Å | 1.43Å | |
| O23 | C4 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| N12 | C11 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| O9 | C7 | doub | 1.21Å | 1.28Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.54Å | |
| C1 | C7 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | O8 | sing | 1.34Å | 1.27Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| N17 | H7 | sing | 0.97Å | 1.00Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 117.7° | 120.1° |
| C27 | C28 | C29 | 122.8° | 120.1° |
| C28 | C27 | H5 | 121.2° | 120.0° |
| C27 | C28 | H16 | 118.6° | 120.0° |
| C27 | C26 | CL3 | 123.4° | 120.0° |
| C27 | C26 | C25 | 119.8° | 120.0° |
| C26 | C27 | H5 | 121.1° | 119.9° |
| CL3 | C26 | C25 | 116.8° | 120.0° |
| C28 | C29 | C24 | 117.3° | 120.0° |
| C29 | C28 | H16 | 118.6° | 120.0° |
| C28 | C29 | H17 | 121.4° | 120.0° |
| C26 | C25 | C24 | 122.2° | 119.9° |
| C26 | C25 | F30 | 117.8° | 120.1° |
| N22 | C21 | C20 | 115.3° | 114.6° |
| C21 | N22 | C18 | 110.0° | 116.9° |
| N22 | C21 | H4 | 122.3° | 122.7° |
| C21 | C20 | S19 | 110.5° | 108.0° |
| C20 | C21 | H4 | 122.4° | 122.7° |
| C21 | C20 | H6 | 124.8° | 126.0° |
| C29 | C24 | C25 | 120.2° | 119.9° |
| C29 | C24 | O23 | 122.3° | 120.0° |
| C24 | C29 | H17 | 121.4° | 120.0° |
| C24 | C25 | F30 | 120.0° | 120.0° |
| C25 | C24 | O23 | 117.5° | 120.1° |
| N22 | C18 | S19 | 116.7° | 110.1° |
| N22 | C18 | N17 | 122.0° | 124.9° |
| C20 | S19 | C18 | 87.6° | 90.4° |
| S19 | C20 | H6 | 124.8° | 126.0° |
| C24 | O23 | C4 | 115.6° | 117.0° |
| S19 | C18 | N17 | 121.3° | 125.0° |
| C18 | N17 | C13 | 123.2° | 120.0° |
| C18 | N17 | H7 | 118.4° | 120.0° |
| N17 | C13 | N12 | 121.2° | 119.7° |
| N17 | C13 | C14 | 115.8° | 119.7° |
| C13 | N17 | H7 | 118.4° | 120.0° |
| O23 | C4 | C5 | 106.6° | 109.5° |
| O23 | C4 | C3 | 107.0° | 109.5° |
| O23 | C4 | H15 | 112.7° | 109.5° |
| C4 | C5 | C6 | 109.9° | 109.5° |
| C5 | C4 | C3 | 108.6° | 109.5° |
| C5 | C4 | H15 | 110.9° | 109.4° |
| C4 | C5 | H18 | 109.4° | 109.4° |
| C4 | C5 | H19 | 109.4° | 109.4° |
| C5 | C6 | C1 | 109.8° | 109.5° |
| C6 | C5 | H18 | 109.4° | 109.5° |
| C6 | C5 | H19 | 109.4° | 109.5° |
| C5 | C6 | H20 | 109.4° | 109.5° |
| C5 | C6 | H21 | 109.4° | 109.5° |
| C4 | C3 | C2 | 109.4° | 109.5° |
| C4 | C3 | H13 | 109.5° | 109.5° |
| C4 | C3 | H14 | 109.5° | 109.5° |
| C3 | C4 | H15 | 110.8° | 109.4° |
| C6 | C1 | C2 | 110.0° | 109.5° |
| C6 | C1 | C10 | 109.8° | 109.5° |
| C6 | C1 | C7 | 107.5° | 109.5° |
| C1 | C6 | H20 | 109.4° | 109.4° |
| C1 | C6 | H21 | 109.4° | 109.5° |
| N12 | C13 | C14 | 123.0° | 120.6° |
| C13 | N12 | C11 | 118.3° | 121.6° |
| C13 | C14 | C15 | 119.0° | 119.1° |
| C13 | C14 | H1 | 120.5° | 120.4° |
| N12 | C11 | C10 | 119.5° | 119.6° |
| N12 | C11 | C16 | 121.8° | 120.8° |
| C14 | C15 | C16 | 117.6° | 118.5° |
| C15 | C14 | H1 | 120.5° | 120.4° |
| C14 | C15 | H2 | 121.2° | 120.7° |
| O9 | C7 | C1 | 118.2° | 120.0° |
| O9 | C7 | O8 | 124.4° | 120.0° |
| C3 | C2 | C1 | 110.3° | 109.5° |
| C3 | C2 | H11 | 109.3° | 109.4° |
| C3 | C2 | H12 | 109.3° | 109.5° |
| C2 | C3 | H13 | 109.5° | 109.5° |
| C2 | C3 | H14 | 109.5° | 109.5° |
| C10 | C11 | C16 | 118.7° | 119.6° |
| C11 | C10 | C1 | 111.0° | 109.5° |
| C11 | C10 | H8 | 109.1° | 109.5° |
| C11 | C10 | H9 | 109.1° | 109.5° |
| C11 | C16 | C15 | 120.2° | 119.4° |
| C11 | C16 | H3 | 119.9° | 120.3° |
| C2 | C1 | C10 | 110.4° | 109.5° |
| C2 | C1 | C7 | 106.6° | 109.5° |
| C1 | C2 | H11 | 109.3° | 109.5° |
| C1 | C2 | H12 | 109.2° | 109.5° |
| C10 | C1 | C7 | 112.4° | 109.5° |
| C1 | C10 | H8 | 109.1° | 109.4° |
| C1 | C10 | H9 | 109.1° | 109.4° |
| C1 | C7 | O8 | 117.4° | 120.0° |
| C16 | C15 | H2 | 121.2° | 120.8° |
| C15 | C16 | H3 | 119.9° | 120.3° |
| C7 | O8 | H10 | 109.5° | 117.0° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H18 | C5 | H19 | 109.5° | 109.5° |
| H20 | C6 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H5 | 180.0° | 179.7° |
| C28 | C27 | C26 | CL3 | 179.1° | 179.9° |
| C27 | C28 | C29 | H16 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.3° | 0.0° |
| C27 | C28 | C29 | C24 | 0.3° | 0.0° |
| C27 | C28 | C29 | H17 | 179.6° | 180.0° |
| C27 | C26 | CL3 | C25 | 179.4° | 179.9° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.1° |
| C27 | C26 | C25 | F30 | 179.6° | 180.0° |
| C26 | C27 | C28 | H16 | 179.6° | 180.0° |
| CL3 | C26 | C25 | C24 | 179.4° | 180.0° |
| CL3 | C26 | C25 | F30 | 0.2° | 0.1° |
| CL3 | C26 | C27 | H5 | 0.9° | 0.3° |
| C28 | C29 | C24 | H17 | 180.0° | 180.0° |
| C28 | C29 | C24 | C25 | 0.1° | 0.1° |
| C28 | C29 | C24 | O23 | 179.0° | 180.0° |
| C29 | C28 | C27 | H5 | 179.6° | 179.7° |
| C26 | C25 | C24 | C29 | 0.1° | 0.1° |
| C26 | C25 | C24 | F30 | 179.6° | 179.9° |
| C26 | C25 | C24 | O23 | 178.9° | 180.0° |
| C25 | C26 | C27 | H5 | 179.7° | 179.8° |
| N22 | C21 | C20 | H4 | 180.0° | 179.7° |
| N22 | C21 | C20 | S19 | 0.6° | 0.0° |
| C21 | N22 | C18 | S19 | 0.1° | 0.0° |
| C21 | N22 | C18 | N17 | 179.5° | 180.0° |
| N22 | C21 | C20 | H6 | 179.5° | 180.0° |
| C20 | C21 | N22 | C18 | 0.3° | 0.0° |
| C21 | C20 | S19 | H6 | 180.0° | 180.0° |
| C21 | C20 | S19 | C18 | 0.5° | 0.0° |
| C29 | C24 | C25 | O23 | 179.0° | 179.9° |
| C29 | C24 | C25 | F30 | 179.5° | 180.0° |
| C29 | C24 | O23 | C4 | 44.8° | 3.9° |
| C24 | C29 | C28 | H16 | 179.6° | 179.9° |
| C25 | C24 | O23 | C4 | 136.3° | 176.2° |
| C25 | C24 | C29 | H17 | 179.9° | 180.0° |
| F30 | C25 | C24 | O23 | 1.5° | 0.1° |
| N22 | C18 | S19 | C20 | 0.4° | 0.0° |
| N22 | C18 | S19 | N17 | 179.6° | 180.0° |
| N22 | C18 | N17 | C13 | 179.0° | 5.2° |
| C18 | N22 | C21 | H4 | 179.7° | 179.7° |
| N22 | C18 | N17 | H7 | 1.0° | 174.7° |
| C20 | S19 | C18 | N17 | 179.2° | 180.0° |
| S19 | C20 | C21 | H4 | 179.5° | 179.7° |
| C24 | O23 | C4 | C5 | 67.1° | 83.3° |
| C24 | O23 | C4 | C3 | 176.9° | 156.7° |
| C24 | O23 | C4 | H15 | 54.8° | 36.7° |
| O23 | C24 | C29 | H17 | 1.0° | 0.1° |
| S19 | C18 | N17 | C13 | 1.4° | 174.8° |
| C18 | S19 | C20 | H6 | 179.5° | 180.0° |
| S19 | C18 | N17 | H7 | 178.6° | 5.3° |
| C18 | N17 | C13 | H7 | 180.0° | 179.9° |
| C18 | N17 | C13 | N12 | 1.6° | 171.8° |
| C18 | N17 | C13 | C14 | 178.5° | 8.4° |
| N17 | C13 | N12 | C14 | 179.9° | 179.8° |
| N17 | C13 | N12 | C11 | 179.9° | 179.7° |
| N17 | C13 | C14 | C15 | 179.6° | 179.8° |
| N17 | C13 | C14 | H1 | 0.3° | 0.2° |
| O23 | C4 | C5 | C3 | 114.9° | 120.0° |
| O23 | C4 | C5 | H15 | 123.0° | 120.0° |
| O23 | C4 | C5 | C6 | 175.9° | 180.0° |
| O23 | C4 | C3 | H15 | 123.3° | 120.0° |
| O23 | C4 | C3 | C2 | 175.3° | 180.0° |
| O23 | C4 | C3 | H13 | 64.8° | 60.1° |
| O23 | C4 | C3 | H14 | 55.2° | 60.0° |
| O23 | C4 | C5 | H18 | 55.8° | 60.0° |
| O23 | C4 | C5 | H19 | 64.0° | 59.9° |
| C4 | C5 | C6 | H18 | 120.1° | 120.0° |
| C4 | C5 | C6 | H19 | 120.1° | 120.0° |
| C5 | C4 | C3 | H15 | 122.1° | 119.9° |
| C4 | C5 | C6 | C1 | 59.9° | 60.0° |
| C5 | C4 | C3 | C2 | 60.6° | 59.9° |
| C5 | C4 | C3 | H13 | 179.4° | 60.0° |
| C5 | C4 | C3 | H14 | 59.4° | 180.0° |
| C4 | C5 | H18 | H19 | 119.8° | 119.9° |
| C4 | C5 | C6 | H20 | 179.9° | 60.0° |
| C4 | C5 | C6 | H21 | 60.2° | 180.0° |
| C6 | C5 | C4 | C3 | 61.0° | 60.0° |
| C5 | C6 | C1 | H20 | 120.1° | 120.0° |
| C5 | C6 | C1 | H21 | 120.1° | 120.0° |
| C5 | C6 | C1 | C2 | 57.9° | 60.0° |
| C5 | C6 | C1 | C10 | 63.8° | 60.0° |
| C5 | C6 | C1 | C7 | 173.6° | 180.0° |
| C6 | C5 | C4 | H15 | 61.1° | 60.0° |
| C6 | C5 | H18 | H19 | 119.8° | 120.1° |
| C5 | C6 | H20 | H21 | 119.9° | 120.0° |
| C4 | C3 | C2 | H13 | 120.0° | 120.0° |
| C4 | C3 | C2 | H14 | 120.0° | 120.0° |
| C4 | C3 | C2 | C1 | 59.6° | 60.0° |
| C4 | C3 | C2 | H11 | 60.5° | 180.0° |
| C4 | C3 | C2 | H12 | 179.7° | 60.1° |
| C4 | C3 | H13 | H14 | 120.0° | 120.0° |
| C3 | C4 | C5 | H18 | 59.1° | 60.0° |
| C3 | C4 | C5 | H19 | 179.0° | 180.0° |
| C6 | C1 | C7 | O9 | 17.6° | 120.0° |
| C6 | C1 | C2 | C3 | 58.1° | 60.0° |
| C6 | C1 | C10 | C11 | 55.0° | 175.0° |
| C6 | C1 | C2 | C10 | 121.3° | 120.0° |
| C6 | C1 | C2 | C7 | 116.3° | 120.0° |
| C6 | C1 | C10 | C7 | 119.6° | 120.0° |
| C6 | C1 | C7 | O8 | 162.2° | 60.0° |
| C6 | C1 | C10 | H8 | 65.3° | 65.0° |
| C6 | C1 | C10 | H9 | 175.2° | 54.9° |
| C6 | C1 | C2 | H11 | 62.0° | 180.0° |
| C6 | C1 | C2 | H12 | 178.2° | 60.1° |
| C1 | C6 | C5 | H18 | 60.2° | 60.0° |
| C1 | C6 | C5 | H19 | 179.9° | 180.0° |
| C1 | C6 | H20 | H21 | 119.8° | 120.0° |
| N12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | N12 | C11 | C10 | 179.7° | 180.0° |
| C13 | N12 | C11 | C16 | 0.2° | 0.0° |
| N12 | C13 | C14 | H1 | 179.8° | 180.0° |
| N12 | C13 | N17 | H7 | 178.4° | 8.2° |
| C14 | C13 | N12 | C11 | 0.1° | 0.0° |
| C13 | C14 | C15 | H1 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | H2 | 179.6° | 179.9° |
| C14 | C13 | N17 | H7 | 1.5° | 171.6° |
| N12 | C11 | C10 | C16 | 179.6° | 180.0° |
| N12 | C11 | C10 | C1 | 103.2° | 57.4° |
| N12 | C11 | C16 | C15 | 0.0° | 0.0° |
| N12 | C11 | C16 | H3 | 179.9° | 180.0° |
| N12 | C11 | C10 | H8 | 17.1° | 62.5° |
| N12 | C11 | C10 | H9 | 136.6° | 177.4° |
| C14 | C15 | C16 | C11 | 0.3° | 0.0° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | H3 | 179.6° | 180.0° |
| O9 | C7 | C1 | C2 | 135.5° | 0.0° |
| O9 | C7 | C1 | C10 | 103.3° | 120.0° |
| O9 | C7 | C1 | O8 | 179.8° | 180.0° |
| O9 | C7 | O8 | H10 | 0.0° | 0.0° |
| C3 | C2 | C1 | H11 | 120.1° | 120.0° |
| C3 | C2 | C1 | H12 | 120.1° | 120.1° |
| C3 | C2 | C1 | C10 | 63.3° | 60.0° |
| C3 | C2 | C1 | C7 | 174.4° | 180.0° |
| C3 | C2 | H11 | H12 | 119.7° | 120.0° |
| C2 | C3 | H13 | H14 | 120.0° | 120.0° |
| C2 | C3 | C4 | H15 | 61.5° | 60.0° |
| C11 | C10 | C1 | C2 | 176.4° | 55.0° |
| C11 | C10 | C1 | H8 | 120.3° | 120.0° |
| C11 | C10 | C1 | H9 | 120.2° | 120.0° |
| C11 | C10 | C1 | C7 | 64.6° | 65.0° |
| C10 | C11 | C16 | C15 | 179.5° | 180.0° |
| C10 | C11 | C16 | H3 | 0.5° | 0.0° |
| C11 | C10 | H8 | H9 | 119.3° | 120.1° |
| C16 | C11 | C10 | C1 | 76.4° | 122.5° |
| C11 | C16 | C15 | H3 | 180.0° | 180.0° |
| C11 | C16 | C15 | H2 | 179.7° | 179.9° |
| C16 | C11 | C10 | H8 | 163.4° | 117.5° |
| C16 | C11 | C10 | H9 | 43.8° | 2.5° |
| C2 | C1 | C10 | C7 | 118.9° | 120.0° |
| C2 | C1 | C7 | O8 | 44.3° | 180.0° |
| C2 | C1 | C10 | H8 | 56.2° | 175.0° |
| C2 | C1 | C10 | H9 | 63.3° | 65.0° |
| C1 | C2 | H11 | H12 | 119.6° | 120.0° |
| C1 | C2 | C3 | H13 | 179.6° | 60.0° |
| C1 | C2 | C3 | H14 | 60.4° | 180.0° |
| C2 | C1 | C6 | H20 | 178.0° | 60.1° |
| C2 | C1 | C6 | H21 | 62.1° | 180.0° |
| C10 | C1 | C7 | O8 | 76.9° | 60.0° |
| C1 | C10 | H8 | H9 | 119.3° | 119.9° |
| C10 | C1 | C2 | H11 | 176.6° | 60.0° |
| C10 | C1 | C2 | H12 | 56.9° | 180.0° |
| C10 | C1 | C6 | H20 | 56.2° | 180.0° |
| C10 | C1 | C6 | H21 | 176.1° | 60.0° |
| C7 | C1 | C10 | H8 | 175.1° | 55.0° |
| C7 | C1 | C10 | H9 | 55.6° | 175.0° |
| C1 | C7 | O8 | H10 | 179.8° | 180.0° |
| C7 | C1 | C2 | H11 | 54.3° | 60.0° |
| C7 | C1 | C2 | H12 | 65.5° | 60.0° |
| C7 | C1 | C6 | H20 | 66.3° | 60.0° |
| C7 | C1 | C6 | H21 | 53.6° | 60.0° |
| C16 | C15 | C14 | H1 | 179.6° | 180.0° |
| H1 | C14 | C15 | H2 | 0.4° | 0.1° |
| H2 | C15 | C16 | H3 | 0.4° | 0.0° |
| H4 | C21 | C20 | H6 | 0.5° | 0.4° |
| H5 | C27 | C28 | H16 | 0.5° | 0.2° |
| H11 | C2 | C3 | H13 | 59.5° | 60.0° |
| H11 | C2 | C3 | H14 | 179.5° | 60.0° |
| H12 | C2 | C3 | H13 | 60.3° | 180.0° |
| H12 | C2 | C3 | H14 | 59.7° | 60.0° |
| H13 | C3 | C4 | H15 | 58.5° | 179.9° |
| H14 | C3 | C4 | H15 | 178.5° | 60.0° |
| H15 | C4 | C5 | H18 | 178.9° | 179.9° |
| H15 | C4 | C5 | H19 | 59.0° | 60.1° |
| H16 | C28 | C29 | H17 | 0.4° | 0.0° |
| H18 | C5 | C6 | H20 | 59.9° | 180.0° |
| H18 | C5 | C6 | H21 | 179.8° | 60.1° |
| H19 | C5 | C6 | H20 | 60.0° | 60.0° |
| H19 | C5 | C6 | H21 | 59.9° | 60.0° |
