VZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | S21 | doub | 1.42Å | 1.47Å | |
| O23 | S21 | doub | 1.42Å | 1.47Å | |
| S21 | C01 | sing | 1.76Å | 1.79Å | |
| S21 | N24 | sing | 1.66Å | 1.69Å | |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N07 | sing | 1.40Å | 1.44Å | |
| N07 | S25 | sing | 1.66Å | 1.69Å | |
| O26 | S25 | doub | 1.42Å | 1.46Å | |
| S25 | O27 | doub | 1.42Å | 1.47Å | |
| S25 | C08 | sing | 1.81Å | 1.82Å | |
| C09 | N10 | sing | 1.47Å | 1.46Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| N10 | C11 | sing | 1.35Å | 1.45Å | |
| C11 | O13 | doub | 1.22Å | 1.19Å | |
| C11 | N12 | sing | 1.35Å | 1.46Å | |
| N12 | C14 | sing | 1.40Å | 1.46Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | F20 | sing | 1.35Å | 1.36Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| N07 | H7 | sing | 0.97Å | 1.00Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| N24 | H16 | sing | 0.97Å | 1.00Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | S21 | O23 | 105.8° | 123.2° |
| O22 | S21 | C01 | 107.5° | 106.4° |
| O22 | S21 | N24 | 112.1° | 106.4° |
| O23 | S21 | C01 | 109.0° | 106.4° |
| O23 | S21 | N24 | 111.0° | 106.4° |
| C01 | S21 | N24 | 111.2° | 107.2° |
| S21 | C01 | C06 | 118.2° | 120.0° |
| S21 | C01 | C02 | 118.6° | 119.9° |
| S21 | N24 | H16 | 109.5° | 120.1° |
| S21 | N24 | H17 | 109.4° | 120.0° |
| C01 | C06 | C05 | 118.7° | 120.1° |
| C06 | C01 | C02 | 123.2° | 120.1° |
| C01 | C06 | H6 | 120.6° | 119.9° |
| C06 | C05 | C04 | 118.6° | 119.9° |
| C06 | C05 | H5 | 120.7° | 120.0° |
| C05 | C06 | H6 | 120.6° | 120.0° |
| C01 | C02 | C03 | 117.9° | 120.1° |
| C01 | C02 | H3 | 121.0° | 120.0° |
| C05 | C04 | C03 | 122.4° | 119.8° |
| C05 | C04 | N07 | 117.8° | 120.1° |
| C04 | C05 | H5 | 120.7° | 120.0° |
| C02 | C03 | C04 | 119.1° | 120.0° |
| C03 | C02 | H3 | 121.0° | 120.0° |
| C02 | C03 | H4 | 120.5° | 120.0° |
| C03 | C04 | N07 | 119.8° | 120.1° |
| C04 | C03 | H4 | 120.5° | 120.0° |
| C04 | N07 | S25 | 120.3° | 120.0° |
| C04 | N07 | H7 | 106.7° | 120.0° |
| N07 | S25 | O26 | 108.8° | 104.3° |
| N07 | S25 | O27 | 108.0° | 104.3° |
| N07 | S25 | C08 | 109.5° | 104.4° |
| S25 | N07 | H7 | 106.7° | 120.0° |
| O26 | S25 | O27 | 104.0° | 121.0° |
| O26 | S25 | C08 | 112.9° | 110.5° |
| O27 | S25 | C08 | 113.4° | 110.6° |
| S25 | C08 | C09 | 112.7° | 109.4° |
| S25 | C08 | H8 | 108.7° | 109.5° |
| S25 | C08 | H9 | 108.7° | 109.5° |
| N10 | C09 | C08 | 107.0° | 109.4° |
| C09 | N10 | C11 | 120.8° | 120.0° |
| N10 | C09 | H10 | 110.1° | 109.5° |
| N10 | C09 | H11 | 110.1° | 109.5° |
| C09 | N10 | H12 | 119.6° | 120.0° |
| C09 | C08 | H8 | 108.7° | 109.5° |
| C09 | C08 | H9 | 108.7° | 109.5° |
| C08 | C09 | H10 | 110.1° | 109.5° |
| C08 | C09 | H11 | 110.1° | 109.5° |
| N10 | C11 | O13 | 118.2° | 120.0° |
| N10 | C11 | N12 | 119.4° | 120.0° |
| C11 | N10 | H12 | 119.6° | 120.0° |
| O13 | C11 | N12 | 122.4° | 120.0° |
| C11 | N12 | C14 | 124.9° | 120.0° |
| C11 | N12 | H1 | 117.5° | 120.0° |
| N12 | C14 | C19 | 120.9° | 120.0° |
| N12 | C14 | C15 | 119.9° | 120.0° |
| C14 | N12 | H1 | 117.5° | 120.0° |
| C19 | C14 | C15 | 119.2° | 120.0° |
| C14 | C19 | C18 | 120.7° | 119.9° |
| C14 | C19 | H15 | 119.6° | 120.0° |
| C14 | C15 | C16 | 120.5° | 119.9° |
| C14 | C15 | H2 | 119.8° | 120.0° |
| C19 | C18 | C17 | 119.9° | 120.1° |
| C19 | C18 | H14 | 120.1° | 119.9° |
| C18 | C19 | H15 | 119.7° | 120.1° |
| C15 | C16 | C17 | 119.7° | 120.1° |
| C16 | C15 | H2 | 119.7° | 120.0° |
| C15 | C16 | H13 | 120.1° | 119.9° |
| C18 | C17 | C16 | 119.9° | 120.1° |
| C18 | C17 | F20 | 119.5° | 119.9° |
| C17 | C18 | H14 | 120.1° | 120.0° |
| C16 | C17 | F20 | 120.6° | 120.0° |
| C17 | C16 | H13 | 120.1° | 120.0° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H16 | N24 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | S21 | O23 | C01 | 115.3° | 123.0° |
| O22 | S21 | O23 | N24 | 121.9° | 122.9° |
| O22 | S21 | C01 | N24 | 123.1° | 113.5° |
| O22 | S21 | C01 | C06 | 108.8° | 23.2° |
| O22 | S21 | C01 | C02 | 69.3° | 156.5° |
| O22 | S21 | N24 | H16 | 180.0° | 113.6° |
| O22 | S21 | N24 | H17 | 60.0° | 66.5° |
| O23 | S21 | C01 | N24 | 122.7° | 113.6° |
| O23 | S21 | C01 | C06 | 5.5° | 156.2° |
| O23 | S21 | C01 | C02 | 176.5° | 23.5° |
| O23 | S21 | N24 | H16 | 61.8° | 113.5° |
| O23 | S21 | N24 | H17 | 58.1° | 66.4° |
| S21 | C01 | C06 | C02 | 178.0° | 179.7° |
| S21 | C01 | C06 | C05 | 178.7° | 179.7° |
| S21 | C01 | C02 | C03 | 178.6° | 179.7° |
| S21 | C01 | C02 | H3 | 1.4° | 0.3° |
| S21 | C01 | C06 | H6 | 1.3° | 0.2° |
| C01 | S21 | N24 | H16 | 59.6° | 0.1° |
| C01 | S21 | N24 | H17 | 179.6° | 180.0° |
| N24 | S21 | C01 | C06 | 128.1° | 90.3° |
| N24 | S21 | C01 | C02 | 53.8° | 90.1° |
| S21 | N24 | H16 | H17 | 120.0° | 179.9° |
| C01 | C06 | C05 | H6 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.4° | 0.0° |
| C06 | C01 | C02 | C03 | 0.6° | 0.0° |
| C06 | C01 | C02 | H3 | 179.4° | 180.0° |
| C01 | C06 | C05 | H5 | 179.6° | 179.9° |
| C05 | C06 | C01 | C02 | 0.7° | 0.0° |
| C06 | C05 | C04 | H5 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.0° | 0.0° |
| C06 | C05 | C04 | N07 | 178.9° | 180.0° |
| C01 | C02 | C03 | H3 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H4 | 179.8° | 180.0° |
| C02 | C01 | C06 | H6 | 179.3° | 179.9° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | N07 | 178.9° | 180.0° |
| C05 | C04 | N07 | S25 | 117.7° | 105.4° |
| C05 | C04 | C03 | H4 | 179.9° | 180.0° |
| C04 | C05 | C06 | H6 | 179.6° | 179.9° |
| C05 | C04 | N07 | H7 | 120.7° | 74.6° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | N07 | 179.0° | 180.0° |
| C03 | C04 | N07 | S25 | 63.3° | 74.6° |
| C04 | C03 | C02 | H3 | 179.8° | 180.0° |
| C03 | C04 | C05 | H5 | 180.0° | 179.9° |
| C03 | C04 | N07 | H7 | 58.2° | 105.4° |
| C04 | N07 | S25 | H7 | 121.5° | 179.9° |
| C04 | N07 | S25 | O26 | 160.6° | 178.3° |
| C04 | N07 | S25 | O27 | 48.3° | 50.4° |
| C04 | N07 | S25 | C08 | 75.6° | 65.7° |
| N07 | C04 | C03 | H4 | 1.0° | 0.0° |
| N07 | C04 | C05 | H5 | 1.1° | 0.0° |
| N07 | S25 | O26 | O27 | 114.9° | 116.8° |
| N07 | S25 | O26 | C08 | 121.8° | 111.7° |
| N07 | S25 | O27 | C08 | 121.5° | 111.7° |
| N07 | S25 | C08 | C09 | 70.7° | 175.2° |
| N07 | S25 | C08 | H8 | 49.8° | 64.8° |
| N07 | S25 | C08 | H9 | 168.8° | 55.2° |
| O26 | S25 | O27 | C08 | 123.0° | 131.5° |
| O26 | S25 | C08 | C09 | 50.7° | 73.2° |
| O26 | S25 | N07 | H7 | 39.1° | 1.7° |
| O26 | S25 | C08 | H8 | 171.2° | 46.8° |
| O26 | S25 | C08 | H9 | 69.8° | 166.8° |
| O27 | S25 | C08 | C09 | 168.7° | 63.5° |
| O27 | S25 | N07 | H7 | 73.3° | 129.5° |
| O27 | S25 | C08 | H8 | 70.8° | 176.5° |
| O27 | S25 | C08 | H9 | 48.2° | 56.4° |
| S25 | C08 | C09 | N10 | 151.8° | 180.0° |
| S25 | C08 | C09 | H8 | 120.5° | 120.0° |
| S25 | C08 | C09 | H9 | 120.5° | 120.0° |
| C08 | S25 | N07 | H7 | 162.9° | 114.4° |
| S25 | C08 | H8 | H9 | 118.5° | 120.0° |
| S25 | C08 | C09 | H10 | 32.2° | 60.0° |
| S25 | C08 | C09 | H11 | 88.5° | 60.0° |
| N10 | C09 | C08 | H10 | 119.6° | 120.0° |
| N10 | C09 | C08 | H11 | 119.6° | 120.0° |
| C09 | N10 | C11 | H12 | 180.0° | 180.0° |
| C09 | N10 | C11 | O13 | 179.3° | 0.0° |
| C09 | N10 | C11 | N12 | 1.0° | 180.0° |
| N10 | C09 | C08 | H8 | 31.3° | 60.0° |
| N10 | C09 | C08 | H9 | 87.7° | 60.0° |
| N10 | C09 | H10 | H11 | 121.1° | 120.0° |
| C08 | C09 | N10 | C11 | 117.6° | 180.0° |
| C09 | C08 | H8 | H9 | 118.5° | 120.0° |
| C08 | C09 | H10 | H11 | 121.1° | 120.0° |
| C08 | C09 | N10 | H12 | 62.4° | 0.0° |
| N10 | C11 | O13 | N12 | 179.8° | 180.0° |
| N10 | C11 | N12 | C14 | 179.9° | 174.7° |
| N10 | C11 | N12 | H1 | 0.1° | 5.1° |
| C11 | N10 | C09 | H10 | 122.8° | 60.0° |
| C11 | N10 | C09 | H11 | 2.0° | 60.0° |
| O13 | C11 | N12 | C14 | 0.2° | 5.3° |
| O13 | C11 | N12 | H1 | 179.9° | 174.9° |
| O13 | C11 | N10 | H12 | 0.7° | 180.0° |
| C11 | N12 | C14 | H1 | 180.0° | 179.8° |
| C11 | N12 | C14 | C19 | 17.7° | 32.7° |
| C11 | N12 | C14 | C15 | 162.2° | 147.2° |
| N12 | C11 | N10 | H12 | 179.0° | 0.0° |
| N12 | C14 | C19 | C15 | 179.9° | 179.9° |
| N12 | C14 | C19 | C18 | 180.0° | 180.0° |
| N12 | C14 | C15 | C16 | 179.9° | 180.0° |
| N12 | C14 | C15 | H2 | 0.2° | 0.4° |
| N12 | C14 | C19 | H15 | 0.0° | 0.0° |
| C14 | C19 | C18 | H15 | 180.0° | 180.0° |
| C19 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C19 | C18 | C17 | 0.3° | 0.3° |
| C19 | C14 | N12 | H1 | 162.3° | 147.0° |
| C19 | C14 | C15 | H2 | 179.7° | 179.7° |
| C14 | C19 | C18 | H14 | 179.7° | 179.7° |
| C15 | C14 | C19 | C18 | 0.1° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.6° |
| C14 | C15 | C16 | C17 | 0.1° | 0.2° |
| C15 | C14 | N12 | H1 | 17.8° | 33.0° |
| C14 | C15 | C16 | H13 | 179.9° | 179.6° |
| C15 | C14 | C19 | H15 | 179.9° | 179.9° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.4° | 0.4° |
| C19 | C18 | C17 | F20 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.4° |
| C15 | C16 | C17 | H13 | 180.0° | 179.9° |
| C15 | C16 | C17 | F20 | 179.8° | 180.0° |
| C18 | C17 | C16 | F20 | 179.9° | 179.6° |
| C18 | C17 | C16 | H13 | 179.7° | 179.4° |
| C17 | C18 | C19 | H15 | 179.7° | 179.7° |
| C17 | C16 | C15 | H2 | 179.9° | 179.9° |
| C16 | C17 | C18 | H14 | 179.5° | 179.5° |
| F20 | C17 | C16 | H13 | 0.2° | 0.1° |
| F20 | C17 | C18 | H14 | 0.4° | 0.0° |
| H2 | C15 | C16 | H13 | 0.1° | 0.0° |
| H3 | C02 | C03 | H4 | 0.2° | 0.0° |
| H5 | C05 | C06 | H6 | 0.4° | 0.1° |
| H8 | C08 | C09 | H10 | 88.3° | 60.0° |
| H8 | C08 | C09 | H11 | 151.0° | 180.0° |
| H9 | C08 | C09 | H10 | 152.7° | 180.0° |
| H9 | C08 | C09 | H11 | 31.9° | 60.0° |
| H10 | C09 | N10 | H12 | 57.2° | 120.0° |
| H11 | C09 | N10 | H12 | 177.9° | 119.9° |
| H14 | C18 | C19 | H15 | 0.3° | 0.3° |
