VRW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C16 | sing | 1.74Å | 1.73Å | |
| C14 | O2 | sing | 1.43Å | 1.45Å | |
| C14 | C12 | sing | 1.51Å | 1.51Å | |
| O2 | C15 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| N3 | C10 | sing | 1.40Å | 1.38Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.74Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | O1 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | C7 | sing | 1.35Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C22 | sing | 1.47Å | 1.49Å | |
| C8 | N1 | sing | 1.36Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C7 | N1 | doub | 1.31Å | 1.30Å | Aromatic |
| C7 | C4 | sing | 1.48Å | 1.45Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | O3 | doub | 1.21Å | 1.24Å | |
| C23 | O4 | sing | 1.34Å | 1.26Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| N2 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C16 | C15 | 122.6° | 120.1° |
| CL2 | C16 | C17 | 115.0° | 120.0° |
| O2 | C14 | C12 | 110.3° | 109.5° |
| C14 | O2 | C15 | 117.4° | 117.0° |
| O2 | C14 | H10 | 109.3° | 109.4° |
| O2 | C14 | H11 | 109.2° | 109.5° |
| C14 | C12 | C11 | 120.4° | 120.0° |
| C14 | C12 | C13 | 123.1° | 120.0° |
| C12 | C14 | H10 | 109.3° | 109.5° |
| C12 | C14 | H11 | 109.3° | 109.5° |
| O2 | C15 | C16 | 122.6° | 120.1° |
| O2 | C15 | C20 | 120.8° | 120.0° |
| C12 | C11 | C10 | 121.0° | 120.4° |
| C11 | C12 | C13 | 116.5° | 120.0° |
| C12 | C11 | H9 | 119.5° | 119.8° |
| C11 | C10 | N3 | 118.7° | 119.9° |
| C11 | C10 | C9 | 121.5° | 120.3° |
| C10 | C11 | H9 | 119.5° | 119.8° |
| C15 | C16 | C17 | 122.3° | 119.9° |
| C16 | C15 | C20 | 116.6° | 119.9° |
| C16 | C17 | C18 | 120.8° | 120.1° |
| C16 | C17 | H12 | 119.6° | 120.0° |
| C12 | C13 | O1 | 129.7° | 133.7° |
| C12 | C13 | C8 | 122.9° | 119.9° |
| C15 | C20 | CL1 | 120.6° | 120.1° |
| C15 | C20 | C19 | 120.7° | 119.9° |
| N3 | C10 | C9 | 119.8° | 119.8° |
| C10 | N3 | H1 | 109.5° | 120.0° |
| C10 | N3 | H2 | 109.4° | 119.9° |
| C10 | C9 | C8 | 117.5° | 119.7° |
| C10 | C9 | H8 | 121.3° | 120.1° |
| C17 | C18 | C19 | 118.9° | 120.2° |
| C17 | C18 | C21 | 119.1° | 119.9° |
| C18 | C17 | H12 | 119.6° | 120.0° |
| CL1 | C20 | C19 | 118.6° | 120.0° |
| C20 | C19 | C18 | 120.7° | 120.0° |
| C20 | C19 | H13 | 119.7° | 120.0° |
| O1 | C13 | C8 | 107.4° | 106.4° |
| C13 | O1 | C7 | 104.3° | 108.1° |
| C13 | C8 | C9 | 120.6° | 119.7° |
| C13 | C8 | N1 | 108.5° | 106.7° |
| O1 | C7 | N1 | 115.2° | 110.0° |
| O1 | C7 | C4 | 117.3° | 125.0° |
| C19 | C18 | C21 | 122.0° | 119.9° |
| C18 | C19 | H13 | 119.7° | 120.0° |
| C18 | C21 | C22 | 115.9° | 109.4° |
| C18 | C21 | H14 | 107.8° | 109.5° |
| C18 | C21 | H15 | 107.8° | 109.5° |
| C9 | C8 | N1 | 130.9° | 133.6° |
| C8 | C9 | H8 | 121.2° | 120.2° |
| N2 | C22 | C21 | 110.7° | 109.5° |
| N2 | C22 | C23 | 110.7° | 109.5° |
| N2 | C22 | H16 | 108.3° | 109.5° |
| C22 | N2 | H18 | 109.5° | 111.0° |
| C22 | N2 | H19 | 109.4° | 111.0° |
| C8 | N1 | C7 | 104.6° | 108.8° |
| C21 | C22 | C23 | 111.5° | 109.4° |
| C22 | C21 | H14 | 107.8° | 109.5° |
| C22 | C21 | H15 | 107.8° | 109.4° |
| C21 | C22 | H16 | 107.7° | 109.5° |
| C22 | C23 | O3 | 116.4° | 120.0° |
| C22 | C23 | O4 | 118.6° | 120.0° |
| C23 | C22 | H16 | 107.8° | 109.5° |
| N1 | C7 | C4 | 127.6° | 124.9° |
| C7 | C4 | C5 | 119.8° | 120.1° |
| C7 | C4 | C3 | 120.0° | 120.2° |
| C4 | C5 | C6 | 120.0° | 119.9° |
| C5 | C4 | C3 | 120.1° | 119.7° |
| C4 | C5 | H3 | 120.0° | 120.1° |
| C5 | C6 | C1 | 119.9° | 120.1° |
| C6 | C5 | H3 | 120.0° | 120.1° |
| C5 | C6 | H4 | 120.1° | 119.9° |
| O3 | C23 | O4 | 125.0° | 120.0° |
| C23 | O4 | H17 | 109.5° | 117.0° |
| C4 | C3 | C2 | 118.9° | 119.9° |
| C4 | C3 | H7 | 120.5° | 120.0° |
| C6 | C1 | C2 | 120.0° | 120.3° |
| C1 | C6 | H4 | 120.1° | 119.9° |
| C6 | C1 | H6 | 120.0° | 119.8° |
| C3 | C2 | C1 | 121.0° | 120.2° |
| C3 | C2 | H5 | 119.5° | 119.9° |
| C2 | C3 | H7 | 120.5° | 120.1° |
| C1 | C2 | H5 | 119.5° | 119.9° |
| C2 | C1 | H6 | 120.0° | 119.9° |
| H1 | N3 | H2 | 109.5° | 120.0° |
| H10 | C14 | H11 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H18 | N2 | H19 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C16 | C15 | O2 | 1.6° | 0.1° |
| CL2 | C16 | C15 | C17 | 179.7° | 179.9° |
| CL2 | C16 | C15 | C20 | 179.1° | 179.8° |
| CL2 | C16 | C17 | C18 | 179.9° | 180.0° |
| CL2 | C16 | C17 | H12 | 0.1° | 0.0° |
| O2 | C14 | C12 | H10 | 120.1° | 120.0° |
| O2 | C14 | C12 | H11 | 120.1° | 120.0° |
| O2 | C14 | C12 | C11 | 96.7° | 0.0° |
| C14 | O2 | C15 | C16 | 72.9° | 89.7° |
| O2 | C14 | C12 | C13 | 83.6° | 179.9° |
| C14 | O2 | C15 | C20 | 104.4° | 90.0° |
| O2 | C14 | H10 | H11 | 119.6° | 120.0° |
| C12 | C14 | O2 | C15 | 78.6° | 179.9° |
| C14 | C12 | C11 | C13 | 179.8° | 179.9° |
| C14 | C12 | C11 | C10 | 180.0° | 180.0° |
| C14 | C12 | C13 | O1 | 0.1° | 0.1° |
| C14 | C12 | C13 | C8 | 179.7° | 179.9° |
| C14 | C12 | C11 | H9 | 0.0° | 0.1° |
| C12 | C14 | H10 | H11 | 119.6° | 120.1° |
| O2 | C15 | C16 | C20 | 177.4° | 179.7° |
| O2 | C15 | C16 | C17 | 178.6° | 180.0° |
| O2 | C15 | C20 | CL1 | 2.0° | 0.0° |
| O2 | C15 | C20 | C19 | 178.9° | 179.7° |
| C15 | O2 | C14 | H10 | 41.6° | 60.0° |
| C15 | O2 | C14 | H11 | 161.3° | 60.0° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | N3 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C12 | C13 | O1 | 179.9° | 179.9° |
| C11 | C12 | C13 | C8 | 0.5° | 0.1° |
| C11 | C12 | C14 | H10 | 143.2° | 120.0° |
| C11 | C12 | C14 | H11 | 23.4° | 120.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | C10 | N3 | C9 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C11 | C10 | N3 | H1 | 180.0° | 180.0° |
| C11 | C10 | N3 | H2 | 60.0° | 0.2° |
| C11 | C10 | C9 | H8 | 179.8° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | CL1 | 179.5° | 179.7° |
| C16 | C15 | C20 | C19 | 1.5° | 0.6° |
| C15 | C16 | C17 | H12 | 179.8° | 180.0° |
| C17 | C16 | C15 | C20 | 1.2° | 0.3° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C16 | C17 | C18 | C21 | 179.4° | 180.0° |
| C12 | C13 | O1 | C8 | 179.6° | 180.0° |
| C12 | C13 | O1 | C7 | 179.4° | 180.0° |
| C12 | C13 | C8 | C9 | 0.6° | 0.0° |
| C12 | C13 | C8 | N1 | 179.5° | 180.0° |
| C13 | C12 | C11 | H9 | 179.8° | 180.0° |
| C13 | C12 | C14 | H10 | 36.6° | 60.1° |
| C13 | C12 | C14 | H11 | 156.3° | 59.9° |
| C15 | C20 | CL1 | C19 | 179.1° | 179.8° |
| C15 | C20 | C19 | C18 | 0.7° | 0.5° |
| C15 | C20 | C19 | H13 | 179.3° | 179.7° |
| N3 | C10 | C9 | C8 | 179.8° | 179.9° |
| C10 | N3 | H1 | H2 | 120.0° | 179.9° |
| N3 | C10 | C9 | H8 | 0.2° | 0.0° |
| N3 | C10 | C11 | H9 | 0.1° | 0.1° |
| C10 | C9 | C8 | C13 | 0.4° | 0.0° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C10 | C9 | C8 | N1 | 179.8° | 180.0° |
| C9 | C10 | N3 | H1 | 0.0° | 0.1° |
| C9 | C10 | N3 | H2 | 120.0° | 180.0° |
| C9 | C10 | C11 | H9 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.3° |
| C17 | C18 | C19 | C21 | 179.9° | 179.9° |
| C17 | C18 | C21 | C22 | 46.3° | 90.0° |
| C17 | C18 | C19 | H13 | 179.6° | 179.9° |
| C17 | C18 | C21 | H14 | 74.7° | 150.0° |
| C17 | C18 | C21 | H15 | 167.2° | 29.9° |
| CL1 | C20 | C19 | C18 | 179.8° | 179.7° |
| CL1 | C20 | C19 | H13 | 0.2° | 0.1° |
| C20 | C19 | C18 | H13 | 180.0° | 179.8° |
| C20 | C19 | C18 | C21 | 179.7° | 179.8° |
| O1 | C13 | C8 | C9 | 179.7° | 180.0° |
| O1 | C13 | C8 | N1 | 0.1° | 0.0° |
| C13 | O1 | C7 | N1 | 0.3° | 0.0° |
| C13 | O1 | C7 | C4 | 178.5° | 180.0° |
| C8 | C13 | O1 | C7 | 0.3° | 0.0° |
| C13 | C8 | C9 | N1 | 179.8° | 179.9° |
| C13 | C8 | N1 | C7 | 0.1° | 0.0° |
| C13 | C8 | C9 | H8 | 179.6° | 180.0° |
| O1 | C7 | N1 | C8 | 0.3° | 0.0° |
| O1 | C7 | N1 | C4 | 177.9° | 180.0° |
| O1 | C7 | C4 | C5 | 9.2° | 0.3° |
| O1 | C7 | C4 | C3 | 173.4° | 180.0° |
| C19 | C18 | C21 | C22 | 133.8° | 90.0° |
| C19 | C18 | C17 | H12 | 179.3° | 180.0° |
| C19 | C18 | C21 | H14 | 105.3° | 30.0° |
| C19 | C18 | C21 | H15 | 12.8° | 150.0° |
| C18 | C21 | C22 | N2 | 69.3° | 65.0° |
| C18 | C21 | C22 | H14 | 121.0° | 120.0° |
| C18 | C21 | C22 | H15 | 120.9° | 119.9° |
| C18 | C21 | C22 | C23 | 167.1° | 175.0° |
| C21 | C18 | C17 | H12 | 0.6° | 0.0° |
| C21 | C18 | C19 | H13 | 0.3° | 0.0° |
| C18 | C21 | H14 | H15 | 117.1° | 120.0° |
| C18 | C21 | C22 | H16 | 49.0° | 55.0° |
| C9 | C8 | N1 | C7 | 179.9° | 180.0° |
| N2 | C22 | C21 | C23 | 123.7° | 120.0° |
| N2 | C22 | C21 | H16 | 118.2° | 120.0° |
| N2 | C22 | C23 | H16 | 118.3° | 120.0° |
| N2 | C22 | C23 | O3 | 12.4° | 20.0° |
| N2 | C22 | C23 | O4 | 168.7° | 160.1° |
| N2 | C22 | C21 | H14 | 169.8° | 175.0° |
| N2 | C22 | C21 | H15 | 51.7° | 55.0° |
| C22 | N2 | H18 | H19 | 120.0° | 124.0° |
| C8 | N1 | C7 | C4 | 178.2° | 180.0° |
| N1 | C8 | C9 | H8 | 0.2° | 0.1° |
| C21 | C22 | C23 | H16 | 118.0° | 120.0° |
| C21 | C22 | C23 | O3 | 136.0° | 100.0° |
| C21 | C22 | C23 | O4 | 45.1° | 79.9° |
| C22 | C21 | H14 | H15 | 117.1° | 120.0° |
| C21 | C22 | N2 | H18 | 180.0° | 60.0° |
| C21 | C22 | N2 | H19 | 60.0° | 64.0° |
| C22 | C23 | O3 | O4 | 178.8° | 179.9° |
| C23 | C22 | C21 | H14 | 46.1° | 55.0° |
| C23 | C22 | C21 | H15 | 72.0° | 65.1° |
| C22 | C23 | O4 | H17 | 178.8° | 180.0° |
| C23 | C22 | N2 | H18 | 55.9° | 60.0° |
| C23 | C22 | N2 | H19 | 64.1° | 176.0° |
| N1 | C7 | C4 | C5 | 168.7° | 179.7° |
| N1 | C7 | C4 | C3 | 8.7° | 0.0° |
| C7 | C4 | C5 | C3 | 177.4° | 179.7° |
| C7 | C4 | C5 | C6 | 178.8° | 179.7° |
| C7 | C4 | C3 | C2 | 178.9° | 179.8° |
| C7 | C4 | C5 | H3 | 1.2° | 0.3° |
| C7 | C4 | C3 | H7 | 1.1° | 0.3° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.0° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C4 | C5 | C6 | H4 | 179.3° | 180.0° |
| C5 | C4 | C3 | H7 | 178.5° | 180.0° |
| C6 | C5 | C4 | C3 | 1.4° | 0.0° |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H6 | 179.9° | 180.0° |
| O3 | C23 | C22 | H16 | 105.9° | 140.0° |
| O3 | C23 | O4 | H17 | 0.0° | 0.1° |
| O4 | C23 | C22 | H16 | 73.0° | 40.1° |
| C4 | C3 | C2 | H7 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.0° |
| C3 | C4 | C5 | H3 | 178.6° | 180.0° |
| C4 | C3 | C2 | H5 | 179.1° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H3 | 179.2° | 179.9° |
| C6 | C1 | C2 | H5 | 179.8° | 180.0° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | H6 | 179.8° | 180.0° |
| C2 | C1 | C6 | H4 | 179.9° | 180.0° |
| C1 | C2 | C3 | H7 | 179.1° | 180.0° |
| H3 | C5 | C6 | H4 | 0.7° | 0.0° |
| H4 | C6 | C1 | H6 | 0.1° | 0.0° |
| H5 | C2 | C1 | H6 | 0.2° | 0.1° |
| H5 | C2 | C3 | H7 | 0.9° | 0.1° |
| H14 | C21 | C22 | H16 | 72.0° | 65.0° |
| H15 | C21 | C22 | H16 | 169.9° | 175.0° |
| H16 | C22 | N2 | H18 | 62.1° | 180.0° |
| H16 | C22 | N2 | H19 | 177.9° | 56.0° |
