GFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| O3 | S2 | doub | 1.42Å | 1.50Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| S2 | O4 | doub | 1.42Å | 1.44Å | |
| S2 | N2 | sing | 1.66Å | 1.74Å | |
| S2 | C11 | sing | 1.76Å | 1.80Å | |
| C13 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C3 | doub | 1.21Å | 1.20Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| N1 | C5 | doub | 1.29Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C8 | C6 | sing | 1.48Å | 1.46Å | |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | O1 | sing | 1.34Å | 1.44Å | |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C5 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.45Å | 1.45Å | |
| C7 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C18 | 110.4° | 109.4° |
| C17 | C16 | C15 | 106.6° | 109.5° |
| C17 | C16 | H18 | 108.3° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.4° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| O3 | S2 | O4 | 109.0° | 123.1° |
| O3 | S2 | N2 | 107.1° | 106.4° |
| O3 | S2 | C11 | 105.0° | 106.4° |
| C18 | C16 | C15 | 115.3° | 109.4° |
| C18 | C16 | H18 | 108.0° | 109.5° |
| C16 | C18 | H22 | 109.5° | 109.5° |
| C16 | C18 | H23 | 109.5° | 109.5° |
| C16 | C18 | H24 | 109.5° | 109.5° |
| C16 | C15 | C14 | 118.2° | 109.4° |
| C16 | C15 | H16 | 107.3° | 109.5° |
| C16 | C15 | H17 | 107.2° | 109.5° |
| C15 | C16 | H18 | 108.0° | 109.5° |
| C13 | C12 | C11 | 119.1° | 120.1° |
| C12 | C13 | C8 | 120.2° | 119.9° |
| C13 | C12 | H8 | 120.4° | 119.9° |
| C12 | C13 | H9 | 119.9° | 120.1° |
| C12 | C11 | S2 | 121.5° | 119.9° |
| C12 | C11 | C10 | 120.4° | 120.3° |
| C11 | C12 | H8 | 120.4° | 120.0° |
| C15 | C14 | N2 | 112.2° | 109.5° |
| C15 | C14 | H3 | 108.8° | 109.5° |
| C15 | C14 | H4 | 108.8° | 109.5° |
| C14 | C15 | H16 | 107.2° | 109.4° |
| C14 | C15 | H17 | 107.3° | 109.5° |
| O4 | S2 | N2 | 128.1° | 106.4° |
| O4 | S2 | C11 | 99.2° | 106.4° |
| N2 | S2 | C11 | 106.1° | 107.2° |
| S2 | N2 | C14 | 114.1° | 120.0° |
| S2 | N2 | H10 | 108.3° | 120.0° |
| S2 | C11 | C10 | 118.0° | 119.9° |
| C13 | C8 | C6 | 117.9° | 120.1° |
| C13 | C8 | C9 | 121.0° | 119.7° |
| C8 | C13 | H9 | 119.9° | 120.0° |
| N2 | C14 | H3 | 108.8° | 109.4° |
| N2 | C14 | H4 | 108.8° | 109.5° |
| C14 | N2 | H10 | 108.3° | 120.0° |
| C11 | C10 | C9 | 121.1° | 120.1° |
| C11 | C10 | H7 | 119.5° | 119.9° |
| O2 | C3 | C4 | 120.3° | 120.0° |
| O2 | C3 | O1 | 116.7° | 120.0° |
| C3 | C4 | C5 | 107.7° | 109.5° |
| C4 | C3 | O1 | 123.0° | 120.0° |
| C3 | C4 | H1 | 109.9° | 109.5° |
| C3 | C4 | H2 | 109.9° | 109.4° |
| C4 | C5 | N1 | 125.8° | 124.8° |
| C4 | C5 | S1 | 124.2° | 124.7° |
| C5 | C4 | H1 | 109.9° | 109.5° |
| C5 | C4 | H2 | 109.9° | 109.5° |
| C5 | N1 | C6 | 115.2° | 117.2° |
| N1 | C5 | S1 | 110.0° | 110.5° |
| N1 | C6 | C8 | 120.6° | 123.0° |
| N1 | C6 | C7 | 114.5° | 114.0° |
| C6 | C8 | C9 | 120.8° | 120.2° |
| C8 | C6 | C7 | 124.0° | 123.0° |
| C8 | C9 | C10 | 118.1° | 119.9° |
| C8 | C9 | H6 | 120.9° | 120.0° |
| C3 | O1 | C2 | 119.0° | 117.0° |
| C10 | C9 | H6 | 121.0° | 120.0° |
| C9 | C10 | H7 | 119.4° | 120.0° |
| C1 | C2 | O1 | 111.9° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C1 | C2 | H14 | 108.8° | 109.5° |
| C1 | C2 | H15 | 108.9° | 109.5° |
| C5 | S1 | C7 | 92.3° | 90.4° |
| C6 | C7 | S1 | 107.7° | 107.9° |
| C6 | C7 | H5 | 126.2° | 126.0° |
| O1 | C2 | H14 | 108.9° | 109.4° |
| O1 | C2 | H15 | 108.8° | 109.4° |
| S1 | C7 | H5 | 126.1° | 126.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.4° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C18 | C15 | 120.9° | 120.0° |
| C17 | C16 | C18 | H18 | 118.2° | 120.0° |
| C17 | C16 | C15 | H18 | 116.1° | 120.0° |
| C17 | C16 | C15 | C14 | 105.8° | 175.0° |
| C17 | C16 | C15 | H16 | 15.4° | 55.1° |
| C17 | C16 | C15 | H17 | 132.9° | 64.9° |
| C16 | C17 | H19 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C17 | C16 | C18 | H22 | 180.0° | 60.0° |
| C17 | C16 | C18 | H23 | 60.0° | 180.0° |
| C17 | C16 | C18 | H24 | 60.0° | 60.0° |
| O3 | S2 | C11 | C12 | 17.3° | 23.3° |
| O3 | S2 | O4 | N2 | 131.7° | 122.9° |
| O3 | S2 | O4 | C11 | 109.4° | 123.0° |
| O3 | S2 | N2 | C11 | 111.7° | 113.5° |
| O3 | S2 | N2 | C14 | 112.9° | 48.5° |
| O3 | S2 | C11 | C10 | 163.5° | 156.5° |
| O3 | S2 | N2 | H10 | 7.8° | 131.4° |
| C18 | C16 | C15 | H18 | 120.9° | 120.0° |
| C18 | C16 | C15 | C14 | 17.1° | 65.1° |
| C18 | C16 | C15 | H16 | 138.4° | 175.0° |
| C18 | C16 | C15 | H17 | 104.1° | 55.0° |
| C18 | C16 | C17 | H19 | 180.0° | 60.0° |
| C18 | C16 | C17 | H20 | 60.0° | 180.0° |
| C18 | C16 | C17 | H21 | 60.0° | 60.0° |
| C16 | C18 | H22 | H23 | 120.0° | 120.0° |
| C16 | C18 | H22 | H24 | 120.0° | 120.0° |
| C16 | C18 | H23 | H24 | 120.0° | 120.0° |
| C16 | C15 | C14 | H16 | 121.3° | 119.9° |
| C16 | C15 | C14 | H17 | 121.2° | 120.1° |
| C16 | C15 | C14 | N2 | 75.8° | 180.0° |
| C16 | C15 | C14 | H3 | 163.8° | 60.1° |
| C16 | C15 | C14 | H4 | 44.6° | 59.9° |
| C16 | C15 | H16 | H17 | 116.1° | 120.0° |
| C15 | C16 | C17 | H19 | 54.0° | 180.0° |
| C15 | C16 | C17 | H20 | 66.0° | 60.0° |
| C15 | C16 | C17 | H21 | 174.0° | 59.9° |
| C15 | C16 | C18 | H22 | 59.0° | 60.0° |
| C15 | C16 | C18 | H23 | 179.0° | 60.1° |
| C15 | C16 | C18 | H24 | 61.0° | 180.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | S2 | 178.8° | 179.7° |
| C12 | C13 | C8 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | C13 | C8 | C6 | 176.0° | 180.0° |
| C12 | C13 | C8 | C9 | 1.0° | 0.0° |
| C12 | C11 | S2 | O4 | 95.3° | 156.2° |
| C12 | C11 | S2 | N2 | 130.5° | 90.3° |
| C12 | C11 | S2 | C10 | 179.2° | 179.7° |
| C11 | C12 | C13 | C8 | 0.7° | 0.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C12 | C11 | C10 | H7 | 179.8° | 179.9° |
| C11 | C12 | C13 | H9 | 179.3° | 180.0° |
| C15 | C14 | N2 | S2 | 79.8° | 165.0° |
| C15 | C14 | N2 | H3 | 120.4° | 120.0° |
| C15 | C14 | N2 | H4 | 120.4° | 120.1° |
| C15 | C14 | H3 | H4 | 118.8° | 120.1° |
| C15 | C14 | N2 | H10 | 40.9° | 14.9° |
| C14 | C15 | H16 | H17 | 116.0° | 120.0° |
| C14 | C15 | C16 | H18 | 138.0° | 55.0° |
| O4 | S2 | N2 | C11 | 115.9° | 113.6° |
| O4 | S2 | N2 | C14 | 19.4° | 178.6° |
| O4 | S2 | C11 | C10 | 83.9° | 23.5° |
| O4 | S2 | N2 | H10 | 140.2° | 1.5° |
| S2 | N2 | C14 | H10 | 120.7° | 179.9° |
| N2 | S2 | C11 | C10 | 50.3° | 90.0° |
| S2 | N2 | C14 | H3 | 40.5° | 75.0° |
| S2 | N2 | C14 | H4 | 159.7° | 45.0° |
| C11 | S2 | N2 | C14 | 135.4° | 65.0° |
| S2 | C11 | C10 | C9 | 179.0° | 179.7° |
| S2 | C11 | C10 | H7 | 1.0° | 0.3° |
| S2 | C11 | C12 | H8 | 1.2° | 0.3° |
| C11 | S2 | N2 | H10 | 103.9° | 115.1° |
| C13 | C8 | C6 | N1 | 13.3° | 179.9° |
| C13 | C8 | C6 | C9 | 175.0° | 180.0° |
| C13 | C8 | C9 | C10 | 0.8° | 0.0° |
| C13 | C8 | C6 | C7 | 155.4° | 0.1° |
| C13 | C8 | C9 | H6 | 179.2° | 180.0° |
| C8 | C13 | C12 | H8 | 179.2° | 180.0° |
| N2 | C14 | H3 | H4 | 118.7° | 120.0° |
| N2 | C14 | C15 | H16 | 45.5° | 60.1° |
| N2 | C14 | C15 | H17 | 162.9° | 59.9° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C11 | C10 | C9 | H7 | 180.0° | 179.9° |
| C11 | C10 | C9 | H6 | 179.6° | 180.0° |
| C10 | C11 | C12 | H8 | 179.6° | 180.0° |
| O2 | C3 | C4 | O1 | 179.4° | 180.0° |
| O2 | C3 | C4 | C5 | 84.7° | 0.0° |
| O2 | C3 | O1 | C2 | 12.9° | 0.0° |
| O2 | C3 | C4 | H1 | 155.6° | 120.0° |
| O2 | C3 | C4 | H2 | 35.0° | 120.0° |
| C3 | C4 | C5 | H1 | 119.7° | 120.0° |
| C3 | C4 | C5 | H2 | 119.7° | 120.0° |
| C3 | C4 | C5 | N1 | 113.0° | 90.2° |
| C3 | C4 | C5 | S1 | 65.6° | 90.0° |
| C4 | C3 | O1 | C2 | 166.5° | 180.0° |
| C3 | C4 | H1 | H2 | 120.8° | 120.0° |
| C4 | C5 | N1 | S1 | 178.8° | 179.8° |
| C4 | C5 | N1 | C6 | 176.6° | 180.0° |
| C5 | C4 | C3 | O1 | 95.9° | 180.0° |
| C4 | C5 | S1 | C7 | 176.3° | 180.0° |
| C5 | C4 | H1 | H2 | 120.8° | 120.0° |
| C5 | N1 | C6 | C8 | 168.0° | 179.8° |
| C5 | N1 | C6 | C7 | 1.6° | 0.1° |
| N1 | C5 | S1 | C7 | 4.9° | 0.2° |
| N1 | C5 | C4 | H1 | 127.3° | 149.7° |
| N1 | C5 | C4 | H2 | 6.7° | 29.7° |
| N1 | C6 | C8 | C7 | 168.7° | 179.9° |
| N1 | C6 | C8 | C9 | 171.7° | 0.1° |
| C6 | N1 | C5 | S1 | 4.7° | 0.2° |
| N1 | C6 | C7 | S1 | 2.1° | 0.1° |
| N1 | C6 | C7 | H5 | 177.9° | 179.9° |
| C6 | C8 | C9 | C10 | 175.7° | 180.0° |
| C8 | C6 | C7 | S1 | 171.4° | 180.0° |
| C8 | C6 | C7 | H5 | 8.6° | 0.0° |
| C6 | C8 | C9 | H6 | 4.3° | 0.1° |
| C6 | C8 | C13 | H9 | 4.0° | 0.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.9° |
| C9 | C8 | C6 | C7 | 19.6° | 180.0° |
| C8 | C9 | C10 | H7 | 179.5° | 179.9° |
| C9 | C8 | C13 | H9 | 179.0° | 180.0° |
| C3 | O1 | C2 | C1 | 73.0° | 180.0° |
| O1 | C3 | C4 | H1 | 23.8° | 60.0° |
| O1 | C3 | C4 | H2 | 144.3° | 60.0° |
| C3 | O1 | C2 | H14 | 47.3° | 60.0° |
| C3 | O1 | C2 | H15 | 166.6° | 60.0° |
| C1 | C2 | O1 | H14 | 120.4° | 120.0° |
| C1 | C2 | O1 | H15 | 120.4° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H14 | H15 | 118.9° | 120.1° |
| C5 | S1 | C7 | C6 | 3.9° | 0.2° |
| S1 | C5 | C4 | H1 | 54.1° | 30.0° |
| S1 | C5 | C4 | H2 | 174.7° | 150.0° |
| C5 | S1 | C7 | H5 | 176.1° | 179.8° |
| C6 | C7 | S1 | H5 | 180.0° | 180.0° |
| O1 | C2 | C1 | H11 | 180.0° | 60.0° |
| O1 | C2 | C1 | H12 | 60.0° | 60.0° |
| O1 | C2 | C1 | H13 | 60.0° | 180.0° |
| O1 | C2 | H14 | H15 | 118.9° | 119.9° |
| H3 | C14 | N2 | H10 | 161.2° | 105.1° |
| H3 | C14 | C15 | H16 | 74.9° | 180.0° |
| H3 | C14 | C15 | H17 | 42.6° | 60.0° |
| H4 | C14 | N2 | H10 | 79.6° | 135.0° |
| H4 | C14 | C15 | H16 | 165.9° | 60.0° |
| H4 | C14 | C15 | H17 | 76.7° | 180.0° |
| H6 | C9 | C10 | H7 | 0.5° | 0.1° |
| H8 | C12 | C13 | H9 | 0.7° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | H14 | 59.6° | 60.0° |
| H11 | C1 | C2 | H15 | 59.6° | 180.0° |
| H12 | C1 | C2 | H14 | 60.4° | 179.9° |
| H12 | C1 | C2 | H15 | 179.6° | 60.0° |
| H13 | C1 | C2 | H14 | 179.6° | 60.0° |
| H13 | C1 | C2 | H15 | 60.4° | 60.0° |
| H16 | C15 | C16 | H18 | 100.7° | 65.0° |
| H17 | C15 | C16 | H18 | 16.8° | 175.0° |
| H18 | C16 | C17 | H19 | 61.9° | 60.0° |
| H18 | C16 | C17 | H20 | 178.0° | 60.0° |
| H18 | C16 | C17 | H21 | 58.1° | 180.0° |
| H18 | C16 | C18 | H22 | 61.8° | 180.0° |
| H18 | C16 | C18 | H23 | 58.2° | 60.0° |
| H18 | C16 | C18 | H24 | 178.2° | 60.0° |
| H19 | C17 | H20 | H21 | 120.0° | 120.0° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
