VCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F30 | C28 | sing | 1.40Å | 1.35Å | |
| O34 | S32 | doub | 1.42Å | 1.44Å | |
| F29 | C28 | sing | 1.40Å | 1.37Å | |
| F31 | C28 | sing | 1.40Å | 1.34Å | |
| C28 | C22 | sing | 1.53Å | 1.52Å | |
| C35 | S32 | sing | 1.81Å | 1.77Å | |
| S32 | O33 | doub | 1.42Å | 1.45Å | |
| S32 | C8 | sing | 1.76Å | 1.78Å | |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| F26 | C24 | sing | 1.40Å | 1.37Å | |
| C22 | C24 | sing | 1.53Å | 1.51Å | |
| C22 | C19 | sing | 1.51Å | 1.52Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| F25 | C24 | sing | 1.40Å | 1.35Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | F27 | sing | 1.40Å | 1.35Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.42Å | |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| N15 | C13 | sing | 1.35Å | 1.38Å | |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| C12 | N4 | sing | 1.47Å | 1.45Å | |
| C5 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C2 | sing | 1.35Å | 1.39Å | |
| C2 | O3 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| O23 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F30 | C28 | F29 | 108.4° | 109.5° |
| F30 | C28 | F31 | 106.9° | 109.5° |
| F30 | C28 | C22 | 111.4° | 109.5° |
| O34 | S32 | C35 | 108.3° | 110.5° |
| O34 | S32 | O33 | 122.7° | 121.0° |
| O34 | S32 | C8 | 105.7° | 104.3° |
| F29 | C28 | F31 | 107.2° | 109.5° |
| F29 | C28 | C22 | 112.2° | 109.5° |
| F31 | C28 | C22 | 110.5° | 109.4° |
| C28 | C22 | C24 | 110.0° | 109.5° |
| C28 | C22 | C19 | 111.9° | 109.5° |
| C28 | C22 | O23 | 107.0° | 109.5° |
| C35 | S32 | O33 | 106.9° | 110.6° |
| C35 | S32 | C8 | 103.3° | 104.5° |
| S32 | C35 | H10 | 109.5° | 109.5° |
| S32 | C35 | H11 | 109.5° | 109.5° |
| S32 | C35 | H12 | 109.5° | 109.4° |
| O33 | S32 | C8 | 108.3° | 104.3° |
| S32 | C8 | C9 | 118.1° | 120.0° |
| S32 | C8 | C7 | 119.7° | 120.0° |
| C8 | C9 | C10 | 120.6° | 120.0° |
| C9 | C8 | C7 | 122.2° | 120.0° |
| C8 | C9 | H5 | 119.7° | 119.9° |
| C9 | C10 | C11 | 117.3° | 120.1° |
| C10 | C9 | H5 | 119.7° | 120.1° |
| C9 | C10 | H6 | 121.3° | 119.9° |
| F26 | C24 | C22 | 114.5° | 109.4° |
| F26 | C24 | F25 | 108.0° | 109.5° |
| F26 | C24 | F27 | 106.9° | 109.5° |
| C24 | C22 | C19 | 109.9° | 109.4° |
| C24 | C22 | O23 | 107.7° | 109.4° |
| C22 | C24 | F25 | 109.7° | 109.4° |
| C22 | C24 | F27 | 110.6° | 109.5° |
| C19 | C22 | O23 | 110.3° | 109.5° |
| C22 | C19 | C18 | 121.0° | 119.9° |
| C22 | C19 | C20 | 120.8° | 119.9° |
| C22 | O23 | H18 | 109.5° | 114.0° |
| F25 | C24 | F27 | 106.9° | 109.5° |
| C19 | C18 | C17 | 121.1° | 120.0° |
| C18 | C19 | C20 | 118.2° | 120.2° |
| C19 | C18 | H17 | 119.4° | 120.0° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C18 | C17 | H16 | 120.0° | 120.0° |
| C17 | C18 | H17 | 119.5° | 120.0° |
| C8 | C7 | C6 | 116.7° | 120.1° |
| C8 | C7 | H4 | 121.6° | 120.0° |
| C10 | C11 | C6 | 121.8° | 119.9° |
| C10 | C11 | C12 | 126.9° | 131.2° |
| C11 | C10 | H6 | 121.4° | 120.0° |
| C19 | C20 | C21 | 120.8° | 120.1° |
| C19 | C20 | H8 | 119.6° | 120.0° |
| C17 | C16 | C21 | 119.8° | 119.8° |
| C17 | C16 | N15 | 118.3° | 120.1° |
| C16 | C17 | H16 | 120.0° | 120.0° |
| C20 | C21 | C16 | 120.1° | 119.9° |
| C21 | C20 | H8 | 119.6° | 120.0° |
| C20 | C21 | H9 | 119.9° | 120.0° |
| C21 | C16 | N15 | 121.9° | 120.1° |
| C16 | C21 | H9 | 119.9° | 120.0° |
| C16 | N15 | C13 | 125.9° | 120.0° |
| C16 | N15 | H15 | 117.1° | 120.1° |
| C7 | C6 | C11 | 121.4° | 119.9° |
| C7 | C6 | C5 | 127.5° | 131.2° |
| C6 | C7 | H4 | 121.7° | 119.9° |
| C6 | C11 | C12 | 111.3° | 108.9° |
| C11 | C6 | C5 | 111.1° | 108.8° |
| C11 | C12 | C13 | 110.1° | 109.8° |
| C11 | C12 | N4 | 101.5° | 107.7° |
| C11 | C12 | H7 | 112.8° | 109.8° |
| N15 | C13 | C12 | 111.1° | 120.0° |
| N15 | C13 | O14 | 127.9° | 120.0° |
| C13 | N15 | H15 | 117.1° | 119.9° |
| C6 | C5 | N4 | 101.3° | 107.7° |
| C6 | C5 | H13 | 111.5° | 109.8° |
| C6 | C5 | H14 | 111.5° | 109.9° |
| C12 | C13 | O14 | 120.9° | 120.0° |
| C13 | C12 | N4 | 105.9° | 109.9° |
| C13 | C12 | H7 | 112.5° | 109.9° |
| C12 | N4 | C5 | 114.4° | 106.8° |
| C12 | N4 | C2 | 118.2° | 126.6° |
| N4 | C12 | H7 | 113.4° | 109.8° |
| C5 | N4 | C2 | 125.9° | 126.6° |
| N4 | C5 | H13 | 111.5° | 109.8° |
| N4 | C5 | H14 | 111.5° | 109.8° |
| N4 | C2 | O3 | 122.2° | 120.0° |
| N4 | C2 | C1 | 116.7° | 120.0° |
| O3 | C2 | C1 | 121.1° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H10 | C35 | H11 | 109.4° | 109.5° |
| H10 | C35 | H12 | 109.5° | 109.5° |
| H11 | C35 | H12 | 109.5° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F30 | C28 | F29 | F31 | 115.1° | 120.1° |
| F30 | C28 | F29 | C22 | 123.5° | 120.0° |
| F30 | C28 | F31 | C22 | 121.4° | 120.0° |
| F30 | C28 | C22 | C24 | 62.9° | 180.0° |
| F30 | C28 | C22 | C19 | 59.5° | 60.0° |
| F30 | C28 | C22 | O23 | 179.6° | 60.0° |
| O34 | S32 | C35 | O33 | 134.0° | 136.7° |
| O34 | S32 | C35 | C8 | 111.8° | 111.6° |
| O34 | S32 | O33 | C8 | 123.5° | 116.7° |
| O34 | S32 | C8 | C9 | 28.5° | 154.0° |
| O34 | S32 | C8 | C7 | 149.0° | 26.1° |
| O34 | S32 | C35 | H10 | 180.0° | 68.4° |
| O34 | S32 | C35 | H11 | 60.0° | 51.6° |
| O34 | S32 | C35 | H12 | 60.0° | 171.6° |
| F29 | C28 | F31 | C22 | 122.5° | 120.0° |
| F29 | C28 | C22 | C24 | 58.9° | 60.0° |
| F29 | C28 | C22 | C19 | 178.7° | 180.0° |
| F29 | C28 | C22 | O23 | 57.8° | 60.0° |
| F31 | C28 | C22 | C24 | 178.5° | 60.0° |
| F31 | C28 | C22 | C19 | 59.1° | 60.0° |
| F31 | C28 | C22 | O23 | 61.7° | 180.0° |
| C28 | C22 | C24 | F26 | 57.0° | 54.9° |
| C28 | C22 | C24 | C19 | 123.6° | 120.0° |
| C28 | C22 | C24 | O23 | 116.3° | 120.0° |
| C28 | C22 | C19 | O23 | 119.0° | 120.0° |
| C28 | C22 | C24 | F25 | 64.6° | 65.0° |
| C28 | C22 | C19 | C18 | 66.0° | 55.2° |
| C28 | C22 | C24 | F27 | 177.8° | 175.0° |
| C28 | C22 | C19 | C20 | 115.0° | 124.3° |
| C28 | C22 | O23 | H18 | 180.0° | 60.0° |
| C35 | S32 | O33 | C8 | 110.7° | 111.8° |
| C35 | S32 | C8 | C9 | 85.2° | 90.0° |
| C35 | S32 | C8 | C7 | 97.2° | 89.9° |
| S32 | C35 | H10 | H11 | 120.0° | 120.0° |
| S32 | C35 | H10 | H12 | 120.0° | 120.0° |
| S32 | C35 | H11 | H12 | 120.0° | 120.0° |
| O33 | S32 | C8 | C9 | 161.7° | 26.1° |
| O33 | S32 | C8 | C7 | 15.9° | 154.0° |
| O33 | S32 | C35 | H10 | 45.9° | 68.4° |
| O33 | S32 | C35 | H11 | 74.0° | 171.6° |
| O33 | S32 | C35 | H12 | 166.0° | 51.6° |
| S32 | C8 | C9 | C7 | 177.5° | 179.9° |
| S32 | C8 | C9 | C10 | 179.1° | 180.0° |
| S32 | C8 | C7 | C6 | 179.0° | 180.0° |
| S32 | C8 | C7 | H4 | 1.0° | 0.2° |
| S32 | C8 | C9 | H5 | 0.8° | 0.1° |
| C8 | S32 | C35 | H10 | 68.2° | 180.0° |
| C8 | S32 | C35 | H11 | 171.8° | 60.0° |
| C8 | S32 | C35 | H12 | 51.8° | 60.0° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.2° | 0.1° |
| C9 | C8 | C7 | C6 | 1.5° | 0.1° |
| C9 | C8 | C7 | H4 | 178.5° | 179.7° |
| C8 | C9 | C10 | H6 | 178.8° | 180.0° |
| C10 | C9 | C8 | C7 | 1.6° | 0.1° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.8° | 0.0° |
| C9 | C10 | C11 | C12 | 179.9° | 180.0° |
| F26 | C24 | C22 | F25 | 121.6° | 119.9° |
| F26 | C24 | C22 | F27 | 120.7° | 120.0° |
| F26 | C24 | C22 | C19 | 66.6° | 65.1° |
| F26 | C24 | C22 | O23 | 173.3° | 174.9° |
| F26 | C24 | F25 | F27 | 114.7° | 120.0° |
| C24 | C22 | C19 | O23 | 118.5° | 120.0° |
| C22 | C24 | F25 | F27 | 119.9° | 120.0° |
| C24 | C22 | C19 | C18 | 56.4° | 64.9° |
| C24 | C22 | C19 | C20 | 122.6° | 115.7° |
| C24 | C22 | O23 | H18 | 61.8° | 180.0° |
| C19 | C22 | C24 | F25 | 171.8° | 175.0° |
| C22 | C19 | C18 | C20 | 179.0° | 179.4° |
| C22 | C19 | C18 | C17 | 179.3° | 179.7° |
| C19 | C22 | C24 | F27 | 54.2° | 54.9° |
| C22 | C19 | C20 | C21 | 179.8° | 179.9° |
| C22 | C19 | C20 | H8 | 0.2° | 0.0° |
| C22 | C19 | C18 | H17 | 0.7° | 0.6° |
| C19 | C22 | O23 | H18 | 58.1° | 60.0° |
| O23 | C22 | C24 | F25 | 51.7° | 55.0° |
| O23 | C22 | C19 | C18 | 175.0° | 175.2° |
| O23 | C22 | C24 | F27 | 65.9° | 65.0° |
| O23 | C22 | C19 | C20 | 4.0° | 4.3° |
| C19 | C18 | C17 | H17 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | C21 | 0.8° | 0.5° |
| C18 | C19 | C20 | H8 | 179.2° | 179.4° |
| C19 | C18 | C17 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.3° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C18 | C17 | C16 | C21 | 0.4° | 0.0° |
| C18 | C17 | C16 | N15 | 179.4° | 179.7° |
| C8 | C7 | C6 | H4 | 180.0° | 179.8° |
| C8 | C7 | C6 | C11 | 1.1° | 0.1° |
| C8 | C7 | C6 | C5 | 179.1° | 180.0° |
| C7 | C8 | C9 | H5 | 178.4° | 180.0° |
| C10 | C11 | C6 | C7 | 0.8° | 0.1° |
| C10 | C11 | C6 | C12 | 179.3° | 180.0° |
| C10 | C11 | C6 | C5 | 179.4° | 180.0° |
| C10 | C11 | C12 | C13 | 63.7° | 60.4° |
| C10 | C11 | C12 | N4 | 175.5° | 180.0° |
| C11 | C10 | C9 | H5 | 178.8° | 180.0° |
| C10 | C11 | C12 | H7 | 62.8° | 60.5° |
| C19 | C20 | C21 | H8 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 1.1° | 0.5° |
| C19 | C20 | C21 | H9 | 178.9° | 179.4° |
| C20 | C19 | C18 | H17 | 179.7° | 180.0° |
| C17 | C16 | C21 | C20 | 0.9° | 0.2° |
| C17 | C16 | C21 | N15 | 179.8° | 179.8° |
| C17 | C16 | N15 | C13 | 167.6° | 144.6° |
| C17 | C16 | C21 | H9 | 179.1° | 179.7° |
| C17 | C16 | N15 | H15 | 12.4° | 35.4° |
| C16 | C17 | C18 | H17 | 179.9° | 179.7° |
| C20 | C21 | C16 | H9 | 180.0° | 179.9° |
| C20 | C21 | C16 | N15 | 178.8° | 180.0° |
| C21 | C16 | N15 | C13 | 12.7° | 35.2° |
| C16 | C21 | C20 | H8 | 178.9° | 179.4° |
| C21 | C16 | N15 | H15 | 167.4° | 144.8° |
| C21 | C16 | C17 | H16 | 179.6° | 180.0° |
| C16 | N15 | C13 | H15 | 180.0° | 180.0° |
| C16 | N15 | C13 | C12 | 170.5° | 175.7° |
| C16 | N15 | C13 | O14 | 5.6° | 4.3° |
| N15 | C16 | C21 | H9 | 1.2° | 0.1° |
| N15 | C16 | C17 | H16 | 0.6° | 0.3° |
| C7 | C6 | C11 | C5 | 179.8° | 179.9° |
| C7 | C6 | C11 | C12 | 179.9° | 180.0° |
| C7 | C6 | C5 | N4 | 176.4° | 179.9° |
| C7 | C6 | C5 | H13 | 65.0° | 60.5° |
| C7 | C6 | C5 | H14 | 57.7° | 60.3° |
| C6 | C11 | C12 | C13 | 115.5° | 119.5° |
| C6 | C11 | C12 | N4 | 3.7° | 0.1° |
| C11 | C6 | C5 | N4 | 3.8° | 0.0° |
| C11 | C6 | C7 | H4 | 178.9° | 179.7° |
| C6 | C11 | C10 | H6 | 179.2° | 180.0° |
| C6 | C11 | C12 | H7 | 118.0° | 119.6° |
| C11 | C6 | C5 | H13 | 114.9° | 119.6° |
| C11 | C6 | C5 | H14 | 122.5° | 119.6° |
| C11 | C12 | C13 | N15 | 99.8° | 80.0° |
| C12 | C11 | C6 | C5 | 0.1° | 0.1° |
| C11 | C12 | C13 | N4 | 108.9° | 118.3° |
| C11 | C12 | C13 | H7 | 126.7° | 120.8° |
| C11 | C12 | C13 | O14 | 76.6° | 100.0° |
| C11 | C12 | N4 | H7 | 121.3° | 119.5° |
| C11 | C12 | N4 | C5 | 6.5° | 0.0° |
| C11 | C12 | N4 | C2 | 173.7° | 180.0° |
| C12 | C11 | C10 | H6 | 0.1° | 0.1° |
| N15 | C13 | C12 | O14 | 176.4° | 180.0° |
| N15 | C13 | C12 | N4 | 151.2° | 161.7° |
| N15 | C13 | C12 | H7 | 26.9° | 40.8° |
| C6 | C5 | N4 | C12 | 6.5° | 0.0° |
| C6 | C5 | N4 | H13 | 118.7° | 119.5° |
| C6 | C5 | N4 | H14 | 118.7° | 119.7° |
| C6 | C5 | N4 | C2 | 172.6° | 179.9° |
| C5 | C6 | C7 | H4 | 0.9° | 0.2° |
| C6 | C5 | H13 | H14 | 123.8° | 121.0° |
| C13 | C12 | N4 | H7 | 123.8° | 120.9° |
| C13 | C12 | N4 | C5 | 121.4° | 119.5° |
| C13 | C12 | N4 | C2 | 71.4° | 60.4° |
| C12 | C13 | N15 | H15 | 9.5° | 4.3° |
| O14 | C13 | C12 | N4 | 32.3° | 18.3° |
| O14 | C13 | C12 | H7 | 156.7° | 139.2° |
| O14 | C13 | N15 | H15 | 174.4° | 175.7° |
| C12 | N4 | C5 | C2 | 166.1° | 179.9° |
| C12 | N4 | C2 | O3 | 7.8° | 0.0° |
| C12 | N4 | C2 | C1 | 172.1° | 179.9° |
| C12 | N4 | C5 | H13 | 112.2° | 119.5° |
| C12 | N4 | C5 | H14 | 125.2° | 119.7° |
| C5 | N4 | C2 | O3 | 173.4° | 179.9° |
| C5 | N4 | C2 | C1 | 6.6° | 0.0° |
| C5 | N4 | C12 | H7 | 114.8° | 119.5° |
| N4 | C5 | H13 | H14 | 123.8° | 120.8° |
| N4 | C2 | O3 | C1 | 180.0° | 180.0° |
| N4 | C2 | C1 | H1 | 180.0° | 90.0° |
| N4 | C2 | C1 | H2 | 60.0° | 30.0° |
| N4 | C2 | C1 | H3 | 60.1° | 150.0° |
| C2 | N4 | C12 | H7 | 52.4° | 60.5° |
| C2 | N4 | C5 | H13 | 53.9° | 60.4° |
| C2 | N4 | C5 | H14 | 68.8° | 60.3° |
| O3 | C2 | C1 | H1 | 0.0° | 90.0° |
| O3 | C2 | C1 | H2 | 120.0° | 150.0° |
| O3 | C2 | C1 | H3 | 120.0° | 30.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C9 | C10 | H6 | 1.2° | 0.1° |
| H8 | C20 | C21 | H9 | 1.1° | 0.6° |
| H10 | C35 | H11 | H12 | 120.0° | 120.0° |
| H16 | C17 | C18 | H17 | 0.1° | 0.3° |
