FJU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C03 | sing | 1.36Å | 1.33Å | |
| C03 | C02 | sing | 1.38Å | 1.36Å | Aromatic |
| C03 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C04 | C08 | doub | 1.38Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.35Å | Aromatic |
| O01 | C17 | sing | 1.36Å | 1.33Å | |
| O01 | C19 | sing | 1.36Å | 1.33Å | |
| C02 | C01 | doub | 1.39Å | 1.38Å | Aromatic |
| N02 | C19 | doub | 1.31Å | 1.34Å | |
| C17 | C16 | sing | 1.41Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.35Å | Aromatic |
| C19 | C14 | sing | 1.48Å | 1.46Å | |
| C05 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | C00 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C00 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.37Å | |
| C14 | C15 | doub | 1.39Å | 1.36Å | |
| C14 | C13 | sing | 1.47Å | 1.49Å | |
| C09 | N01 | sing | 1.40Å | 1.31Å | |
| C09 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | N01 | sing | 1.35Å | 1.29Å | |
| C13 | O04 | doub | 1.22Å | 1.20Å | |
| C06 | C07 | sing | 1.38Å | 1.36Å | Aromatic |
| C06 | C20 | sing | 1.51Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C00 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| N01 | H14 | sing | 0.97Å | 1.00Å | |
| N02 | H15 | sing | 0.97Å | 1.00Å | |
| O02 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C03 | C02 | 119.7° | 120.0° |
| O02 | C03 | C17 | 120.9° | 120.1° |
| C03 | O02 | H17 | 109.5° | 114.0° |
| C02 | C03 | C17 | 119.4° | 119.9° |
| C03 | C02 | C01 | 120.7° | 120.6° |
| C03 | C02 | H3 | 119.6° | 119.7° |
| C03 | C17 | O01 | 118.5° | 120.5° |
| C03 | C17 | C16 | 120.8° | 119.5° |
| C08 | C04 | C05 | 118.2° | 120.1° |
| C04 | C08 | C09 | 119.8° | 119.9° |
| C08 | C04 | H4 | 120.9° | 120.0° |
| C04 | C08 | H7 | 120.1° | 120.1° |
| C04 | C05 | C06 | 122.0° | 120.1° |
| C05 | C04 | H4 | 120.9° | 119.9° |
| C04 | C05 | H5 | 119.0° | 120.0° |
| C17 | O01 | C19 | 121.7° | 117.0° |
| O01 | C17 | C16 | 120.7° | 119.9° |
| O01 | C19 | N02 | 120.2° | 120.7° |
| O01 | C19 | C14 | 119.2° | 118.2° |
| C02 | C01 | C00 | 119.4° | 120.5° |
| C02 | C01 | H2 | 120.3° | 119.8° |
| C01 | C02 | H3 | 119.6° | 119.7° |
| N02 | C19 | C14 | 120.6° | 121.0° |
| C19 | N02 | H15 | 112.0° | 120.0° |
| C17 | C16 | C00 | 119.9° | 119.8° |
| C17 | C16 | C15 | 120.9° | 119.4° |
| C08 | C09 | N01 | 116.4° | 120.1° |
| C08 | C09 | C07 | 123.3° | 119.9° |
| C09 | C08 | H7 | 120.1° | 120.0° |
| C19 | C14 | C15 | 117.6° | 117.1° |
| C19 | C14 | C13 | 119.3° | 121.5° |
| C05 | C06 | C07 | 120.3° | 120.0° |
| C05 | C06 | C20 | 118.4° | 120.0° |
| C06 | C05 | H5 | 119.0° | 119.9° |
| C01 | C00 | C16 | 119.9° | 119.8° |
| C01 | C00 | H1 | 120.1° | 120.2° |
| C00 | C01 | H2 | 120.3° | 119.8° |
| C00 | C16 | C15 | 119.2° | 120.8° |
| C16 | C00 | H1 | 120.1° | 120.1° |
| C16 | C15 | C14 | 119.9° | 117.4° |
| C16 | C15 | H8 | 120.1° | 121.3° |
| C15 | C14 | C13 | 123.1° | 121.5° |
| C14 | C15 | H8 | 120.1° | 121.3° |
| C14 | C13 | N01 | 116.4° | 120.0° |
| C14 | C13 | O04 | 123.9° | 120.0° |
| N01 | C09 | C07 | 120.3° | 120.1° |
| C09 | N01 | C13 | 118.1° | 120.0° |
| C09 | N01 | H14 | 121.0° | 120.0° |
| C09 | C07 | C06 | 116.3° | 119.9° |
| C09 | C07 | H6 | 121.9° | 120.1° |
| N01 | C13 | O04 | 119.7° | 120.0° |
| C13 | N01 | H14 | 121.0° | 120.0° |
| C07 | C06 | C20 | 121.3° | 120.0° |
| C06 | C07 | H6 | 121.8° | 120.0° |
| C06 | C20 | C21 | 107.9° | 109.5° |
| C06 | C20 | H9 | 109.9° | 109.4° |
| C06 | C20 | H10 | 109.9° | 109.5° |
| C21 | C20 | H9 | 109.9° | 109.5° |
| C21 | C20 | H10 | 109.9° | 109.5° |
| C20 | C21 | H11 | 109.5° | 109.5° |
| C20 | C21 | H12 | 109.5° | 109.5° |
| C20 | C21 | H13 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.4° | 109.4° |
| H11 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C03 | C02 | C17 | 179.6° | 180.0° |
| O02 | C03 | C17 | O01 | 0.2° | 0.3° |
| O02 | C03 | C02 | C01 | 178.5° | 180.0° |
| O02 | C03 | C17 | C16 | 179.2° | 179.6° |
| O02 | C03 | C02 | H3 | 1.6° | 0.1° |
| C02 | C03 | C17 | O01 | 179.4° | 179.6° |
| C03 | C02 | C01 | H3 | 180.0° | 180.0° |
| C02 | C03 | C17 | C16 | 1.2° | 0.4° |
| C03 | C02 | C01 | C00 | 1.8° | 0.0° |
| C03 | C02 | C01 | H2 | 178.2° | 180.0° |
| C02 | C03 | O02 | H17 | 180.0° | 90.1° |
| C03 | C17 | O01 | C16 | 179.4° | 180.0° |
| C03 | C17 | O01 | C19 | 179.9° | 152.7° |
| C17 | C03 | C02 | C01 | 1.9° | 0.0° |
| C03 | C17 | C16 | C00 | 0.4° | 0.8° |
| C03 | C17 | C16 | C15 | 179.8° | 179.4° |
| C17 | C03 | C02 | H3 | 178.0° | 180.0° |
| C17 | C03 | O02 | H17 | 0.4° | 90.0° |
| C08 | C04 | C05 | H4 | 180.0° | 179.8° |
| C04 | C08 | C09 | H7 | 180.0° | 180.0° |
| C08 | C04 | C05 | C06 | 1.1° | 0.0° |
| C04 | C08 | C09 | N01 | 179.8° | 180.0° |
| C04 | C08 | C09 | C07 | 0.4° | 0.0° |
| C08 | C04 | C05 | H5 | 178.8° | 180.0° |
| C05 | C04 | C08 | C09 | 0.1° | 0.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 1.6° | 0.0° |
| C04 | C05 | C06 | C20 | 179.3° | 180.0° |
| C05 | C04 | C08 | H7 | 179.9° | 179.9° |
| C17 | O01 | C19 | N02 | 179.5° | 139.0° |
| C17 | O01 | C19 | C14 | 1.1° | 40.1° |
| O01 | C17 | C16 | C00 | 179.7° | 179.3° |
| O01 | C17 | C16 | C15 | 0.4° | 0.6° |
| O01 | C19 | N02 | C14 | 178.3° | 179.1° |
| C19 | O01 | C17 | C16 | 0.7° | 27.3° |
| O01 | C19 | C14 | C15 | 1.3° | 25.7° |
| O01 | C19 | C14 | C13 | 180.0° | 154.3° |
| O01 | C19 | N02 | H15 | 0.0° | 0.9° |
| C02 | C01 | C00 | H2 | 180.0° | 180.0° |
| C02 | C01 | C00 | C16 | 1.0° | 0.4° |
| C02 | C01 | C00 | H1 | 179.0° | 179.9° |
| N02 | C19 | C14 | C15 | 179.6° | 153.4° |
| N02 | C19 | C14 | C13 | 1.7° | 26.6° |
| C17 | C16 | C00 | C01 | 0.3° | 0.7° |
| C17 | C16 | C00 | C15 | 179.9° | 179.8° |
| C17 | C16 | C15 | C14 | 0.6° | 13.1° |
| C17 | C16 | C00 | H1 | 179.7° | 179.5° |
| C17 | C16 | C15 | H8 | 179.4° | 167.6° |
| C08 | C09 | N01 | C07 | 179.8° | 180.0° |
| C08 | C09 | N01 | C13 | 79.1° | 33.3° |
| C08 | C09 | C07 | C06 | 0.0° | 0.0° |
| C09 | C08 | C04 | H4 | 179.9° | 179.8° |
| C08 | C09 | C07 | H6 | 180.0° | 180.0° |
| C08 | C09 | N01 | H14 | 100.9° | 146.7° |
| C19 | C14 | C15 | C16 | 1.1° | 0.8° |
| C19 | C14 | C15 | C13 | 178.7° | 180.0° |
| C19 | C14 | C13 | N01 | 27.2° | 0.0° |
| C19 | C14 | C13 | O04 | 153.9° | 180.0° |
| C19 | C14 | C15 | H8 | 179.0° | 179.9° |
| C14 | C19 | N02 | H15 | 178.3° | 180.0° |
| C05 | C06 | C07 | C09 | 1.0° | 0.0° |
| C05 | C06 | C07 | C20 | 179.1° | 180.0° |
| C05 | C06 | C20 | C21 | 132.0° | 90.0° |
| C06 | C05 | C04 | H4 | 178.9° | 179.8° |
| C05 | C06 | C07 | H6 | 179.0° | 180.0° |
| C05 | C06 | C20 | H9 | 12.2° | 150.0° |
| C05 | C06 | C20 | H10 | 108.2° | 30.0° |
| C01 | C00 | C16 | H1 | 180.0° | 179.7° |
| C01 | C00 | C16 | C15 | 179.9° | 179.4° |
| C00 | C01 | C02 | H3 | 178.1° | 180.0° |
| C00 | C16 | C15 | C14 | 179.5° | 167.1° |
| C16 | C00 | C01 | H2 | 179.0° | 179.7° |
| C00 | C16 | C15 | H8 | 0.5° | 12.2° |
| C16 | C15 | C14 | H8 | 180.0° | 179.3° |
| C16 | C15 | C14 | C13 | 179.7° | 179.2° |
| C15 | C16 | C00 | H1 | 0.1° | 0.3° |
| C15 | C14 | C13 | N01 | 151.5° | 180.0° |
| C15 | C14 | C13 | O04 | 27.5° | 0.0° |
| C14 | C13 | N01 | C09 | 135.9° | 174.8° |
| C14 | C13 | N01 | O04 | 179.0° | 180.0° |
| C13 | C14 | C15 | H8 | 0.3° | 0.1° |
| C14 | C13 | N01 | H14 | 44.0° | 5.3° |
| C09 | N01 | C13 | H14 | 180.0° | 180.0° |
| C09 | N01 | C13 | O04 | 45.0° | 5.2° |
| N01 | C09 | C07 | C06 | 179.8° | 180.0° |
| N01 | C09 | C07 | H6 | 0.2° | 0.0° |
| N01 | C09 | C08 | H7 | 0.2° | 0.0° |
| C07 | C09 | N01 | C13 | 100.7° | 146.7° |
| C09 | C07 | C06 | H6 | 180.0° | 179.9° |
| C09 | C07 | C06 | C20 | 179.9° | 180.0° |
| C07 | C09 | C08 | H7 | 179.6° | 180.0° |
| C07 | C09 | N01 | H14 | 79.3° | 33.3° |
| O04 | C13 | N01 | H14 | 135.0° | 174.7° |
| C07 | C06 | C20 | C21 | 48.9° | 90.0° |
| C07 | C06 | C05 | H5 | 178.4° | 180.0° |
| C07 | C06 | C20 | H9 | 168.6° | 30.0° |
| C07 | C06 | C20 | H10 | 70.9° | 150.0° |
| C06 | C20 | C21 | H9 | 119.7° | 119.9° |
| C06 | C20 | C21 | H10 | 119.7° | 120.0° |
| C20 | C06 | C05 | H5 | 0.8° | 0.0° |
| C20 | C06 | C07 | H6 | 0.1° | 0.0° |
| C06 | C20 | H9 | H10 | 120.7° | 120.0° |
| C06 | C20 | C21 | H11 | 180.0° | 180.0° |
| C06 | C20 | C21 | H12 | 60.0° | 60.1° |
| C06 | C20 | C21 | H13 | 60.0° | 60.0° |
| C21 | C20 | H9 | H10 | 120.7° | 120.1° |
| C20 | C21 | H11 | H12 | 120.0° | 119.9° |
| C20 | C21 | H11 | H13 | 120.0° | 120.1° |
| C20 | C21 | H12 | H13 | 120.0° | 120.1° |
| H1 | C00 | C01 | H2 | 1.0° | 0.1° |
| H2 | C01 | C02 | H3 | 1.9° | 0.1° |
| H4 | C04 | C05 | H5 | 1.1° | 0.2° |
| H4 | C04 | C08 | H7 | 0.1° | 0.2° |
| H9 | C20 | C21 | H11 | 60.3° | 60.1° |
| H9 | C20 | C21 | H12 | 179.8° | 180.0° |
| H9 | C20 | C21 | H13 | 59.7° | 60.0° |
| H10 | C20 | C21 | H11 | 60.2° | 59.9° |
| H10 | C20 | C21 | H12 | 59.7° | 60.0° |
| H10 | C20 | C21 | H13 | 179.8° | 180.0° |
| H11 | C21 | H12 | H13 | 120.0° | 120.0° |






