ZFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| C17 | S2 | sing | 1.81Å | 1.88Å | |
| S2 | O1 | doub | 1.42Å | 1.46Å | |
| S2 | O2 | doub | 1.42Å | 1.46Å | |
| S2 | N6 | sing | 1.66Å | 1.55Å | |
| S1 | C15 | sing | 1.76Å | 1.73Å | Aromatic |
| S1 | C16 | sing | 1.71Å | 1.74Å | Aromatic |
| C15 | C12 | doub | 1.33Å | 1.39Å | Aromatic |
| N6 | C16 | sing | 1.39Å | 1.34Å | |
| C16 | N5 | doub | 1.30Å | 1.31Å | Aromatic |
| F3 | C5 | sing | 1.40Å | 1.33Å | |
| O3 | C20 | doub | 1.21Å | 1.24Å | |
| C12 | N5 | sing | 1.32Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| F1 | C5 | sing | 1.40Å | 1.33Å | |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C5 | C1 | sing | 1.51Å | 1.52Å | |
| C5 | F2 | sing | 1.40Å | 1.33Å | |
| C20 | C11 | sing | 1.51Å | 1.56Å | |
| C20 | N4 | sing | 1.35Å | 1.35Å | |
| C11 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C9 | sing | 1.39Å | 1.38Å | |
| C9 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C17 | 59.7° | 60.0° |
| C19 | C18 | C17 | 59.8° | 60.0° |
| C19 | C18 | H182 | 120.0° | 117.5° |
| C19 | C18 | H183 | 120.0° | 117.6° |
| C18 | C19 | H193 | 120.1° | 117.5° |
| C18 | C19 | H192 | 120.1° | 117.5° |
| C19 | C17 | C18 | 60.6° | 60.0° |
| C19 | C17 | S2 | 118.5° | 117.5° |
| C19 | C17 | H17 | 119.4° | 117.5° |
| C17 | C19 | H193 | 120.1° | 117.5° |
| C17 | C19 | H192 | 120.1° | 117.5° |
| C18 | C17 | S2 | 116.5° | 117.5° |
| C18 | C17 | H17 | 119.4° | 117.5° |
| C17 | C18 | H182 | 120.0° | 117.5° |
| C17 | C18 | H183 | 120.0° | 117.5° |
| C17 | S2 | O1 | 104.9° | 110.5° |
| C17 | S2 | O2 | 106.7° | 110.5° |
| C17 | S2 | N6 | 105.0° | 104.4° |
| S2 | C17 | H17 | 113.0° | 115.5° |
| O1 | S2 | O2 | 116.2° | 121.1° |
| O1 | S2 | N6 | 112.4° | 104.3° |
| O2 | S2 | N6 | 110.7° | 104.3° |
| S2 | N6 | C16 | 126.5° | 120.0° |
| S2 | N6 | H6 | 105.1° | 120.0° |
| C15 | S1 | C16 | 89.0° | 90.4° |
| S1 | C15 | C12 | 109.6° | 108.1° |
| S1 | C15 | H15 | 125.2° | 126.0° |
| S1 | C16 | N6 | 124.4° | 125.0° |
| S1 | C16 | N5 | 112.9° | 110.1° |
| C15 | C12 | N5 | 114.2° | 114.6° |
| C15 | C12 | C11 | 128.7° | 122.7° |
| C12 | C15 | H15 | 125.2° | 126.0° |
| N6 | C16 | N5 | 122.8° | 124.9° |
| C16 | N6 | H6 | 105.1° | 120.0° |
| C16 | N5 | C12 | 114.3° | 116.9° |
| F3 | C5 | F1 | 108.4° | 109.4° |
| F3 | C5 | C1 | 110.4° | 109.5° |
| F3 | C5 | F2 | 108.9° | 109.5° |
| O3 | C20 | C11 | 118.9° | 120.0° |
| O3 | C20 | N4 | 122.4° | 120.0° |
| N5 | C12 | C11 | 117.1° | 122.7° |
| C12 | C11 | C13 | 110.4° | 109.5° |
| C12 | C11 | C20 | 110.0° | 109.5° |
| C12 | C11 | C14 | 108.4° | 109.5° |
| F1 | C5 | C1 | 111.6° | 109.5° |
| F1 | C5 | F2 | 108.2° | 109.5° |
| C13 | C11 | C20 | 107.3° | 109.5° |
| C13 | C11 | C14 | 107.6° | 109.4° |
| C11 | C13 | H131 | 109.5° | 109.5° |
| C11 | C13 | H132 | 109.5° | 109.5° |
| C11 | C13 | H133 | 109.5° | 109.5° |
| C1 | C5 | F2 | 109.1° | 109.5° |
| C5 | C1 | C2 | 122.5° | 119.9° |
| C5 | C1 | N2 | 116.5° | 120.0° |
| C11 | C20 | N4 | 118.7° | 120.0° |
| C20 | C11 | C14 | 113.0° | 109.5° |
| C20 | N4 | C9 | 124.0° | 120.0° |
| C20 | N4 | H4 | 118.0° | 120.0° |
| C11 | C14 | H141 | 109.5° | 109.5° |
| C11 | C14 | H142 | 109.5° | 109.4° |
| C11 | C14 | H143 | 109.5° | 109.5° |
| C2 | C1 | N2 | 120.9° | 120.1° |
| C1 | C2 | N1 | 121.1° | 120.2° |
| C1 | C2 | H2 | 119.4° | 119.9° |
| C1 | N2 | C4 | 118.1° | 119.9° |
| C2 | N1 | C3 | 117.9° | 120.1° |
| N1 | C2 | H2 | 119.4° | 119.8° |
| N2 | C4 | C3 | 120.1° | 119.8° |
| N2 | C4 | C6 | 117.6° | 120.1° |
| N1 | C3 | C4 | 121.8° | 119.8° |
| N1 | C3 | H3 | 119.1° | 120.1° |
| C3 | C4 | C6 | 122.3° | 120.1° |
| C4 | C3 | H3 | 119.1° | 120.1° |
| C4 | C6 | C7 | 121.2° | 120.4° |
| C4 | C6 | C10 | 122.0° | 120.5° |
| C6 | C7 | C8 | 120.3° | 118.3° |
| C7 | C6 | C10 | 116.8° | 119.1° |
| C6 | C7 | H7 | 119.8° | 120.8° |
| C7 | C8 | C9 | 118.4° | 119.2° |
| C8 | C7 | H7 | 119.8° | 120.8° |
| C7 | C8 | H8 | 120.8° | 120.4° |
| C6 | C10 | N3 | 123.8° | 120.6° |
| C6 | C10 | H10 | 118.1° | 119.7° |
| C8 | C9 | N4 | 120.3° | 119.6° |
| C8 | C9 | N3 | 122.8° | 120.9° |
| C9 | C8 | H8 | 120.8° | 120.4° |
| N4 | C9 | N3 | 116.8° | 119.5° |
| C9 | N4 | H4 | 118.0° | 120.0° |
| C9 | N3 | C10 | 117.6° | 121.8° |
| N3 | C10 | H10 | 118.1° | 119.7° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 115.6° |
| H193 | C19 | H192 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C17 | H193 | 109.4° | 107.4° |
| C18 | C19 | C17 | H192 | 109.4° | 107.5° |
| C19 | C18 | C17 | H182 | 109.4° | 107.5° |
| C19 | C18 | C17 | H183 | 109.4° | 107.6° |
| C18 | C19 | C17 | S2 | 106.1° | 107.5° |
| C18 | C19 | C17 | H17 | 109.2° | 107.5° |
| C19 | C18 | H182 | H183 | 144.8° | 145.8° |
| C18 | C19 | H193 | H192 | 145.0° | 145.7° |
| C19 | C17 | S2 | H17 | 146.8° | 145.7° |
| C19 | C17 | S2 | O1 | 111.1° | 5.4° |
| C19 | C17 | S2 | O2 | 12.7° | 142.1° |
| C19 | C17 | S2 | N6 | 130.3° | 106.2° |
| C17 | C19 | H193 | H192 | 144.9° | 145.7° |
| C18 | C17 | S2 | H17 | 144.0° | 145.7° |
| C18 | C17 | S2 | O1 | 179.6° | 63.3° |
| C18 | C17 | S2 | O2 | 56.5° | 73.4° |
| C18 | C17 | S2 | N6 | 61.0° | 174.9° |
| C17 | C18 | H182 | H183 | 144.9° | 145.6° |
| C17 | S2 | O1 | O2 | 117.6° | 131.5° |
| C17 | S2 | O1 | N6 | 113.5° | 111.7° |
| C17 | S2 | O2 | N6 | 113.7° | 111.7° |
| C17 | S2 | N6 | C16 | 62.5° | 65.0° |
| S2 | C17 | C18 | H182 | 0.1° | 145.0° |
| S2 | C17 | C18 | H183 | 141.4° | 0.0° |
| S2 | C17 | C19 | H193 | 144.5° | 0.1° |
| S2 | C17 | C19 | H192 | 3.3° | 145.0° |
| C17 | S2 | N6 | H6 | 175.2° | 115.1° |
| O1 | S2 | O2 | N6 | 129.7° | 116.9° |
| O1 | S2 | N6 | C16 | 51.0° | 51.0° |
| O1 | S2 | C17 | H17 | 35.7° | 151.0° |
| O1 | S2 | N6 | H6 | 71.3° | 128.9° |
| O2 | S2 | N6 | C16 | 177.3° | 178.9° |
| O2 | S2 | C17 | H17 | 159.5° | 72.2° |
| O2 | S2 | N6 | H6 | 60.4° | 1.0° |
| S2 | N6 | C16 | S1 | 5.1° | 0.2° |
| S2 | N6 | C16 | H6 | 122.3° | 179.9° |
| S2 | N6 | C16 | N5 | 173.9° | 180.0° |
| N6 | S2 | C17 | H17 | 82.9° | 39.4° |
| S1 | C15 | C12 | H15 | 180.0° | 179.8° |
| C15 | S1 | C16 | N6 | 178.3° | 179.9° |
| C15 | S1 | C16 | N5 | 2.6° | 0.3° |
| S1 | C15 | C12 | N5 | 0.3° | 0.2° |
| S1 | C15 | C12 | C11 | 179.6° | 179.7° |
| C16 | S1 | C15 | C12 | 1.2° | 0.3° |
| S1 | C16 | N6 | N5 | 179.1° | 179.8° |
| S1 | C16 | N5 | C12 | 3.3° | 0.2° |
| C16 | S1 | C15 | H15 | 178.8° | 179.9° |
| S1 | C16 | N6 | H6 | 127.4° | 179.7° |
| C15 | C12 | N5 | C16 | 2.3° | 0.0° |
| C15 | C12 | N5 | C11 | 179.4° | 179.9° |
| C15 | C12 | C11 | C13 | 7.6° | 44.9° |
| C15 | C12 | C11 | C20 | 125.9° | 165.0° |
| C15 | C12 | C11 | C14 | 110.1° | 75.0° |
| N6 | C16 | N5 | C12 | 177.6° | 180.0° |
| C16 | N5 | C12 | C11 | 178.2° | 179.9° |
| N5 | C16 | N6 | H6 | 51.7° | 0.1° |
| F3 | C5 | F1 | C1 | 121.9° | 120.0° |
| F3 | C5 | F1 | F2 | 118.0° | 120.0° |
| F3 | C5 | C1 | F2 | 119.7° | 120.0° |
| F3 | C5 | C1 | C2 | 116.7° | 125.0° |
| F3 | C5 | C1 | N2 | 65.1° | 54.9° |
| O3 | C20 | C11 | C12 | 53.5° | 0.0° |
| O3 | C20 | C11 | C13 | 66.7° | 120.0° |
| O3 | C20 | C11 | N4 | 177.6° | 179.9° |
| O3 | C20 | C11 | C14 | 174.8° | 120.1° |
| O3 | C20 | N4 | C9 | 0.8° | 5.1° |
| O3 | C20 | N4 | H4 | 179.2° | 175.0° |
| N5 | C12 | C11 | C13 | 173.1° | 135.0° |
| N5 | C12 | C11 | C20 | 54.8° | 15.0° |
| N5 | C12 | C11 | C14 | 69.3° | 105.1° |
| N5 | C12 | C15 | H15 | 179.7° | 179.9° |
| C12 | C11 | C13 | C20 | 119.9° | 120.0° |
| C12 | C11 | C13 | C14 | 118.1° | 120.0° |
| C12 | C11 | C20 | C14 | 121.3° | 120.0° |
| C12 | C11 | C20 | N4 | 124.2° | 180.0° |
| C12 | C11 | C13 | H131 | 180.0° | 180.0° |
| C12 | C11 | C13 | H132 | 60.0° | 59.9° |
| C12 | C11 | C13 | H133 | 60.0° | 60.0° |
| C11 | C12 | C15 | H15 | 0.4° | 0.1° |
| C12 | C11 | C14 | H141 | 180.0° | 180.0° |
| C12 | C11 | C14 | H142 | 60.0° | 60.0° |
| C12 | C11 | C14 | H143 | 60.0° | 59.9° |
| F1 | C5 | C1 | F2 | 119.6° | 120.0° |
| F1 | C5 | C1 | C2 | 4.1° | 115.1° |
| F1 | C5 | C1 | N2 | 174.2° | 65.0° |
| C13 | C11 | C20 | C14 | 118.5° | 120.0° |
| C13 | C11 | C20 | N4 | 115.6° | 60.0° |
| C11 | C13 | H131 | H132 | 120.0° | 120.1° |
| C11 | C13 | H131 | H133 | 120.0° | 120.0° |
| C11 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C11 | C14 | H141 | 60.6° | 60.0° |
| C13 | C11 | C14 | H142 | 59.4° | 180.0° |
| C13 | C11 | C14 | H143 | 179.5° | 60.0° |
| C5 | C1 | C2 | N2 | 178.2° | 179.9° |
| C5 | C1 | C2 | N1 | 175.6° | 180.0° |
| C5 | C1 | N2 | C4 | 177.0° | 180.0° |
| C5 | C1 | C2 | H2 | 4.4° | 0.1° |
| F2 | C5 | C1 | C2 | 123.7° | 5.0° |
| F2 | C5 | C1 | N2 | 54.6° | 175.0° |
| C11 | C20 | N4 | C9 | 176.7° | 174.9° |
| C20 | C11 | C13 | H131 | 60.0° | 60.0° |
| C20 | C11 | C13 | H132 | 60.0° | 179.9° |
| C20 | C11 | C13 | H133 | 180.0° | 60.0° |
| C20 | C11 | C14 | H141 | 57.7° | 60.0° |
| C20 | C11 | C14 | H142 | 177.7° | 60.0° |
| C20 | C11 | C14 | H143 | 62.2° | 180.0° |
| C11 | C20 | N4 | H4 | 3.3° | 5.0° |
| N4 | C20 | C11 | C14 | 2.8° | 60.0° |
| C20 | N4 | C9 | C8 | 68.4° | 174.9° |
| C20 | N4 | C9 | H4 | 180.0° | 179.9° |
| C20 | N4 | C9 | N3 | 108.4° | 5.1° |
| C14 | C11 | C13 | H131 | 61.9° | 60.0° |
| C14 | C11 | C13 | H132 | 178.1° | 60.0° |
| C14 | C11 | C13 | H133 | 58.1° | 180.0° |
| C11 | C14 | H141 | H142 | 120.0° | 119.9° |
| C11 | C14 | H141 | H143 | 120.0° | 120.1° |
| C11 | C14 | H142 | H143 | 120.0° | 120.0° |
| C1 | C2 | N1 | H2 | 180.0° | 180.0° |
| C2 | C1 | N2 | C4 | 1.3° | 0.1° |
| C1 | C2 | N1 | C3 | 1.4° | 0.0° |
| N2 | C1 | C2 | N1 | 2.6° | 0.1° |
| C1 | N2 | C4 | C3 | 1.0° | 0.1° |
| C1 | N2 | C4 | C6 | 178.7° | 180.0° |
| N2 | C1 | C2 | H2 | 177.5° | 180.0° |
| C2 | N1 | C3 | C4 | 0.9° | 0.0° |
| C2 | N1 | C3 | H3 | 179.1° | 180.0° |
| N2 | C4 | C3 | N1 | 2.1° | 0.1° |
| N2 | C4 | C3 | C6 | 179.6° | 179.9° |
| N2 | C4 | C6 | C7 | 155.4° | 179.9° |
| N2 | C4 | C6 | C10 | 23.6° | 0.1° |
| N2 | C4 | C3 | H3 | 177.9° | 179.9° |
| N1 | C3 | C4 | H3 | 180.0° | 180.0° |
| N1 | C3 | C4 | C6 | 177.5° | 180.0° |
| C3 | N1 | C2 | H2 | 178.6° | 180.0° |
| C3 | C4 | C6 | C7 | 24.2° | 0.0° |
| C3 | C4 | C6 | C10 | 156.8° | 180.0° |
| C4 | C6 | C7 | C10 | 179.1° | 180.0° |
| C4 | C6 | C7 | C8 | 176.0° | 179.9° |
| C4 | C6 | C10 | N3 | 175.8° | 180.0° |
| C4 | C6 | C7 | H7 | 4.0° | 0.0° |
| C4 | C6 | C10 | H10 | 4.2° | 0.1° |
| C6 | C4 | C3 | H3 | 2.5° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.3° | 0.1° |
| C7 | C6 | C10 | N3 | 3.2° | 0.0° |
| C6 | C7 | C8 | H8 | 178.7° | 180.0° |
| C7 | C6 | C10 | H10 | 176.8° | 179.9° |
| C8 | C7 | C6 | C10 | 3.1° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | N4 | 170.4° | 180.0° |
| C7 | C8 | C9 | N3 | 6.2° | 0.1° |
| C6 | C10 | N3 | C9 | 1.3° | 0.0° |
| C6 | C10 | N3 | H10 | 180.0° | 179.9° |
| C10 | C6 | C7 | H7 | 176.9° | 180.0° |
| C8 | C9 | N4 | N3 | 176.8° | 179.9° |
| C8 | C9 | N3 | C10 | 6.1° | 0.0° |
| C9 | C8 | C7 | H7 | 178.7° | 180.0° |
| C8 | C9 | N4 | H4 | 111.6° | 5.0° |
| N4 | C9 | N3 | C10 | 170.6° | 179.9° |
| N4 | C9 | C8 | H8 | 9.6° | 0.1° |
| N3 | C9 | C8 | H8 | 173.8° | 180.0° |
| C9 | N3 | C10 | H10 | 178.8° | 180.0° |
| N3 | C9 | N4 | H4 | 71.6° | 174.9° |
| H7 | C7 | C8 | H8 | 1.3° | 0.1° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H17 | C17 | C18 | H182 | 141.4° | 0.0° |
| H17 | C17 | C18 | H183 | 0.2° | 144.9° |
| H17 | C17 | C19 | H193 | 0.1° | 145.0° |
| H17 | C17 | C19 | H192 | 141.4° | 0.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H182 | C18 | C19 | H193 | 141.2° | 145.1° |
| H182 | C18 | C19 | H192 | 0.0° | 0.1° |
| H183 | C18 | C19 | H193 | 0.1° | 0.0° |
| H183 | C18 | C19 | H192 | 141.2° | 145.0° |
