FS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C09 | sing | 1.51Å | 1.53Å | |
| C09 | O10 | doub | 1.21Å | 1.19Å | |
| C09 | C08 | sing | 1.47Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C08 | C03 | sing | 1.47Å | 1.39Å | Aromatic |
| C08 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| C06 | N05 | sing | 1.35Å | 1.33Å | Aromatic |
| C04 | N05 | sing | 1.37Å | 1.33Å | Aromatic |
| C04 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | N20 | sing | 1.33Å | 1.48Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.42Å | Aromatic |
| N20 | C15 | doub | 1.29Å | 1.39Å | Aromatic |
| C13 | S14 | sing | 1.76Å | 1.61Å | Aromatic |
| C15 | S14 | sing | 1.71Å | 1.63Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | N18 | sing | 1.47Å | 1.46Å | |
| N18 | C19 | sing | 1.47Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N05 | H20 | sing | 0.97Å | 1.00Å | |
| N18 | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C09 | O10 | 116.1° | 120.0° |
| C11 | C09 | C08 | 123.0° | 120.0° |
| C09 | C11 | H9 | 109.5° | 109.5° |
| C09 | C11 | H10 | 109.4° | 109.5° |
| C09 | C11 | H11 | 109.5° | 109.5° |
| O10 | C09 | C08 | 120.9° | 120.0° |
| C09 | C08 | C03 | 130.0° | 126.9° |
| C09 | C08 | C06 | 124.0° | 127.0° |
| C01 | C02 | C03 | 114.4° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.6° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.2° | 109.5° |
| C01 | C02 | H5 | 108.2° | 109.5° |
| C02 | C03 | C08 | 129.2° | 126.8° |
| C02 | C03 | C04 | 123.2° | 126.9° |
| C03 | C02 | H4 | 108.2° | 109.4° |
| C03 | C02 | H5 | 108.2° | 109.5° |
| C03 | C08 | C06 | 105.9° | 106.1° |
| C08 | C03 | C04 | 107.6° | 106.3° |
| C08 | C06 | C07 | 129.4° | 125.8° |
| C08 | C06 | N05 | 107.9° | 108.5° |
| C03 | C04 | N05 | 107.2° | 108.8° |
| C03 | C04 | C12 | 130.4° | 125.6° |
| C07 | C06 | N05 | 122.7° | 125.8° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.4° | 109.4° |
| C06 | C07 | H8 | 109.5° | 109.5° |
| C06 | N05 | C04 | 111.3° | 110.4° |
| C06 | N05 | H20 | 124.4° | 124.8° |
| N05 | C04 | C12 | 122.4° | 125.6° |
| C04 | N05 | H20 | 124.3° | 124.8° |
| C04 | C12 | N20 | 123.6° | 123.0° |
| C04 | C12 | C13 | 126.7° | 123.0° |
| N20 | C12 | C13 | 109.7° | 114.0° |
| C12 | N20 | C15 | 111.5° | 117.1° |
| C12 | C13 | S14 | 109.9° | 107.9° |
| C12 | C13 | H12 | 125.0° | 126.0° |
| N20 | C15 | S14 | 109.4° | 110.5° |
| N20 | C15 | C16 | 125.3° | 124.7° |
| C13 | S14 | C15 | 99.4° | 90.5° |
| S14 | C13 | H12 | 125.0° | 126.1° |
| S14 | C15 | C16 | 125.3° | 124.8° |
| C15 | C16 | C17 | 112.7° | 109.4° |
| C15 | C16 | H13 | 108.7° | 109.4° |
| C15 | C16 | H14 | 108.6° | 109.5° |
| C16 | C17 | N18 | 111.6° | 109.4° |
| C17 | C16 | H13 | 108.7° | 109.5° |
| C17 | C16 | H14 | 108.7° | 109.5° |
| C16 | C17 | H15 | 108.9° | 109.5° |
| C16 | C17 | H16 | 108.9° | 109.5° |
| C17 | N18 | C19 | 111.3° | 111.0° |
| N18 | C17 | H15 | 108.9° | 109.4° |
| N18 | C17 | H16 | 108.9° | 109.5° |
| C17 | N18 | H21 | 109.0° | 111.0° |
| N18 | C19 | H17 | 109.5° | 109.5° |
| N18 | C19 | H18 | 109.5° | 109.5° |
| N18 | C19 | H19 | 109.5° | 109.5° |
| C19 | N18 | H21 | 109.0° | 111.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H8 | 109.4° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C09 | O10 | C08 | 178.1° | 180.0° |
| C11 | C09 | C08 | C03 | 15.6° | 86.3° |
| C11 | C09 | C08 | C06 | 164.2° | 93.5° |
| C09 | C11 | H9 | H10 | 120.0° | 120.0° |
| C09 | C11 | H9 | H11 | 120.0° | 120.0° |
| C09 | C11 | H10 | H11 | 120.0° | 120.0° |
| O10 | C09 | C08 | C03 | 166.4° | 93.7° |
| O10 | C09 | C08 | C06 | 13.8° | 86.5° |
| O10 | C09 | C11 | H9 | 0.0° | 5.0° |
| O10 | C09 | C11 | H10 | 120.0° | 125.1° |
| O10 | C09 | C11 | H11 | 120.0° | 115.0° |
| C09 | C08 | C03 | C02 | 0.5° | 0.1° |
| C09 | C08 | C03 | C06 | 179.8° | 179.9° |
| C09 | C08 | C03 | C04 | 179.4° | 179.7° |
| C09 | C08 | C06 | C07 | 0.2° | 0.2° |
| C09 | C08 | C06 | N05 | 179.1° | 179.8° |
| C08 | C09 | C11 | H9 | 178.1° | 175.0° |
| C08 | C09 | C11 | H10 | 58.0° | 54.9° |
| C08 | C09 | C11 | H11 | 61.9° | 65.0° |
| C01 | C02 | C03 | H4 | 120.7° | 120.0° |
| C01 | C02 | C03 | H5 | 120.7° | 120.0° |
| C01 | C02 | C03 | C08 | 74.4° | 90.3° |
| C01 | C02 | C03 | C04 | 106.8° | 90.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.7° | 120.0° |
| C02 | C03 | C08 | C04 | 178.9° | 179.8° |
| C02 | C03 | C08 | C06 | 179.4° | 180.0° |
| C02 | C03 | C04 | N05 | 179.0° | 180.0° |
| C02 | C03 | C04 | C12 | 1.0° | 0.0° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 117.8° | 120.0° |
| C03 | C08 | C06 | C07 | 180.0° | 179.9° |
| C03 | C08 | C06 | N05 | 0.8° | 0.1° |
| C08 | C03 | C04 | N05 | 0.0° | 0.2° |
| C08 | C03 | C04 | C12 | 180.0° | 179.8° |
| C08 | C03 | C02 | H4 | 164.9° | 149.8° |
| C08 | C03 | C02 | H5 | 46.3° | 29.8° |
| C06 | C08 | C03 | C04 | 0.5° | 0.2° |
| C08 | C06 | C07 | N05 | 179.1° | 180.0° |
| C08 | C06 | N05 | C04 | 0.8° | 0.0° |
| C08 | C06 | C07 | H6 | 90.5° | 94.2° |
| C08 | C06 | C07 | H7 | 149.5° | 25.8° |
| C08 | C06 | C07 | H8 | 29.5° | 145.8° |
| C08 | C06 | N05 | H20 | 179.2° | 179.9° |
| C03 | C04 | N05 | C06 | 0.5° | 0.2° |
| C03 | C04 | N05 | C12 | 180.0° | 180.0° |
| C03 | C04 | C12 | N20 | 145.0° | 25.0° |
| C03 | C04 | C12 | C13 | 37.1° | 155.3° |
| C04 | C03 | C02 | H4 | 13.9° | 30.0° |
| C04 | C03 | C02 | H5 | 132.4° | 150.0° |
| C03 | C04 | N05 | H20 | 179.5° | 180.0° |
| C07 | C06 | N05 | C04 | 179.8° | 180.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.0° |
| C07 | C06 | N05 | H20 | 0.1° | 0.1° |
| C06 | N05 | C04 | H20 | 180.0° | 179.9° |
| C06 | N05 | C04 | C12 | 179.5° | 179.9° |
| N05 | C06 | C07 | H6 | 90.4° | 85.8° |
| N05 | C06 | C07 | H7 | 29.6° | 154.2° |
| N05 | C06 | C07 | H8 | 149.6° | 34.3° |
| N05 | C04 | C12 | N20 | 35.0° | 155.0° |
| N05 | C04 | C12 | C13 | 142.9° | 24.7° |
| C04 | C12 | N20 | C13 | 178.1° | 179.7° |
| C04 | C12 | N20 | C15 | 178.9° | 180.0° |
| C04 | C12 | C13 | S14 | 178.8° | 180.0° |
| C04 | C12 | C13 | H12 | 1.2° | 0.1° |
| C12 | C04 | N05 | H20 | 0.5° | 0.0° |
| N20 | C12 | C13 | S14 | 0.7° | 0.2° |
| C12 | N20 | C15 | S14 | 0.5° | 0.1° |
| C12 | N20 | C15 | C16 | 179.0° | 179.9° |
| N20 | C12 | C13 | H12 | 179.3° | 179.8° |
| C13 | C12 | N20 | C15 | 0.8° | 0.3° |
| C12 | C13 | S14 | H12 | 180.0° | 180.0° |
| C12 | C13 | S14 | C15 | 0.4° | 0.1° |
| N20 | C15 | S14 | C13 | 0.1° | 0.0° |
| N20 | C15 | S14 | C16 | 179.5° | 180.0° |
| N20 | C15 | C16 | C17 | 0.6° | 90.0° |
| N20 | C15 | C16 | H13 | 119.9° | 150.0° |
| N20 | C15 | C16 | H14 | 121.1° | 30.0° |
| C13 | S14 | C15 | C16 | 179.4° | 180.0° |
| S14 | C15 | C16 | C17 | 178.8° | 90.0° |
| C15 | S14 | C13 | H12 | 179.6° | 179.9° |
| S14 | C15 | C16 | H13 | 60.7° | 29.9° |
| S14 | C15 | C16 | H14 | 58.3° | 150.0° |
| C15 | C16 | C17 | H13 | 120.5° | 119.9° |
| C15 | C16 | C17 | H14 | 120.4° | 120.0° |
| C15 | C16 | C17 | N18 | 174.0° | 180.0° |
| C15 | C16 | H13 | H14 | 118.5° | 120.0° |
| C15 | C16 | C17 | H15 | 65.7° | 60.1° |
| C15 | C16 | C17 | H16 | 53.7° | 60.0° |
| C16 | C17 | N18 | H15 | 120.3° | 120.0° |
| C16 | C17 | N18 | H16 | 120.3° | 120.0° |
| C16 | C17 | N18 | C19 | 101.9° | 180.0° |
| C17 | C16 | H13 | H14 | 118.6° | 120.1° |
| C16 | C17 | H15 | H16 | 119.0° | 120.1° |
| C16 | C17 | N18 | H21 | 18.3° | 56.0° |
| C17 | N18 | C19 | H21 | 120.3° | 124.0° |
| N18 | C17 | C16 | H13 | 53.5° | 60.0° |
| N18 | C17 | C16 | H14 | 65.6° | 60.0° |
| N18 | C17 | H15 | H16 | 119.0° | 120.0° |
| C17 | N18 | C19 | H17 | 180.0° | 60.0° |
| C17 | N18 | C19 | H18 | 60.0° | 60.0° |
| C17 | N18 | C19 | H19 | 60.0° | 180.0° |
| C19 | N18 | C17 | H15 | 137.7° | 60.0° |
| C19 | N18 | C17 | H16 | 18.4° | 60.0° |
| N18 | C19 | H17 | H18 | 120.0° | 120.0° |
| N18 | C19 | H17 | H19 | 120.0° | 120.0° |
| N18 | C19 | H18 | H19 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.3° | 60.0° |
| H1 | C01 | C02 | H5 | 59.3° | 60.0° |
| H2 | C01 | C02 | H4 | 60.7° | 60.0° |
| H2 | C01 | C02 | H5 | 179.3° | 180.0° |
| H3 | C01 | C02 | H4 | 179.3° | 180.0° |
| H3 | C01 | C02 | H5 | 60.8° | 60.0° |
| H6 | C07 | H7 | H8 | 120.0° | 120.0° |
| H9 | C11 | H10 | H11 | 120.0° | 120.0° |
| H13 | C16 | C17 | H15 | 173.8° | 180.0° |
| H13 | C16 | C17 | H16 | 66.8° | 59.9° |
| H14 | C16 | C17 | H15 | 54.8° | 59.9° |
| H14 | C16 | C17 | H16 | 174.1° | 180.0° |
| H15 | C17 | N18 | H21 | 102.0° | 176.0° |
| H16 | C17 | N18 | H21 | 138.6° | 63.9° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H17 | C19 | N18 | H21 | 59.7° | 176.0° |
| H18 | C19 | N18 | H21 | 179.7° | 64.0° |
| H19 | C19 | N18 | H21 | 60.3° | 56.0° |
