F0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C9 | sing | 1.40Å | 1.34Å | |
| N3 | N4 | doub | 1.29Å | 1.39Å | Aromatic |
| N3 | C13 | sing | 1.33Å | 1.36Å | Aromatic |
| N4 | N5 | sing | 1.29Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | N1 | sing | 1.46Å | 1.45Å | |
| C13 | N6 | doub | 1.31Å | 1.34Å | Aromatic |
| C11 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| N5 | N6 | sing | 1.29Å | 1.38Å | Aromatic |
| N5 | C14 | sing | 1.46Å | 1.47Å | |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| O2 | C4 | doub | 1.22Å | 1.22Å | |
| C4 | N | sing | 1.35Å | 1.32Å | |
| O1 | C2 | doub | 1.21Å | 1.20Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C1 | O | sing | 1.45Å | 1.40Å | |
| N | C3 | sing | 1.47Å | 1.45Å | |
| C2 | O | sing | 1.34Å | 1.44Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| C7 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C9 | C10 | 118.4° | 120.1° |
| N2 | C9 | C8 | 122.4° | 120.1° |
| C9 | N2 | H18 | 109.5° | 120.0° |
| C9 | N2 | H19 | 109.5° | 120.0° |
| N4 | N3 | C13 | 110.7° | 107.4° |
| N3 | N4 | N5 | 101.2° | 108.7° |
| N3 | C13 | C12 | 125.6° | 126.5° |
| N3 | C13 | N6 | 110.2° | 106.9° |
| N4 | N5 | N6 | 114.3° | 109.1° |
| N4 | N5 | C14 | 123.3° | 125.5° |
| C10 | C9 | C8 | 119.1° | 119.9° |
| C9 | C10 | C11 | 122.1° | 119.9° |
| C9 | C10 | H17 | 119.0° | 120.1° |
| C9 | C8 | C7 | 118.8° | 119.9° |
| C9 | C8 | H20 | 120.6° | 120.1° |
| C10 | C11 | C6 | 119.8° | 120.1° |
| C10 | C11 | H16 | 120.1° | 119.9° |
| C11 | C10 | H17 | 118.9° | 120.0° |
| C8 | C7 | C6 | 121.3° | 120.0° |
| C7 | C8 | H20 | 120.6° | 120.0° |
| C8 | C7 | H21 | 119.3° | 120.0° |
| C13 | C12 | N1 | 110.1° | 109.5° |
| C12 | C13 | N6 | 124.2° | 126.6° |
| C13 | C12 | H9 | 109.3° | 109.4° |
| C13 | C12 | H10 | 109.3° | 109.5° |
| C12 | N1 | C5 | 112.8° | 120.0° |
| C12 | N1 | C4 | 120.8° | 120.0° |
| N1 | C12 | H9 | 109.3° | 109.5° |
| N1 | C12 | H10 | 109.3° | 109.5° |
| C13 | N6 | N5 | 103.6° | 107.9° |
| C11 | C6 | C7 | 118.9° | 120.2° |
| C11 | C6 | C5 | 117.8° | 119.9° |
| C6 | C11 | H16 | 120.1° | 120.0° |
| N6 | N5 | C14 | 122.4° | 125.5° |
| N5 | C14 | H11 | 109.5° | 109.5° |
| N5 | C14 | H12 | 109.5° | 109.4° |
| N5 | C14 | H13 | 109.5° | 109.5° |
| C7 | C6 | C5 | 123.3° | 119.9° |
| C6 | C7 | H21 | 119.4° | 120.0° |
| C6 | C5 | N1 | 110.8° | 109.5° |
| C6 | C5 | H14 | 109.1° | 109.4° |
| C6 | C5 | H15 | 109.1° | 109.5° |
| C5 | N1 | C4 | 126.4° | 120.0° |
| N1 | C5 | H14 | 109.1° | 109.4° |
| N1 | C5 | H15 | 109.1° | 109.5° |
| N1 | C4 | O2 | 120.1° | 120.0° |
| N1 | C4 | N | 120.2° | 120.0° |
| O2 | C4 | N | 119.7° | 120.0° |
| C4 | N | C3 | 120.9° | 120.0° |
| C4 | N | H1 | 119.5° | 120.0° |
| O1 | C2 | O | 119.3° | 120.0° |
| O1 | C2 | C3 | 121.9° | 120.0° |
| C | C1 | O | 107.2° | 109.5° |
| C | C1 | H4 | 110.0° | 109.5° |
| C | C1 | H5 | 110.0° | 109.5° |
| C1 | C | H6 | 109.5° | 109.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | O | C2 | 121.5° | 117.0° |
| O | C1 | H4 | 110.0° | 109.5° |
| O | C1 | H5 | 110.0° | 109.5° |
| N | C3 | C2 | 113.9° | 109.5° |
| C3 | N | H1 | 119.5° | 120.0° |
| N | C3 | H2 | 108.4° | 109.5° |
| N | C3 | H3 | 108.3° | 109.5° |
| O | C2 | C3 | 118.8° | 120.0° |
| C2 | C3 | H2 | 108.3° | 109.4° |
| C2 | C3 | H3 | 108.3° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H6 | C | H7 | 109.4° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.4° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C5 | H15 | 109.5° | 109.5° |
| H18 | N2 | H19 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C9 | C10 | C8 | 179.3° | 180.0° |
| N2 | C9 | C10 | C11 | 179.6° | 180.0° |
| N2 | C9 | C8 | C7 | 179.4° | 179.7° |
| N2 | C9 | C10 | H17 | 0.4° | 0.1° |
| C9 | N2 | H18 | H19 | 120.0° | 180.0° |
| N2 | C9 | C8 | H20 | 0.6° | 0.0° |
| N4 | N3 | C13 | C12 | 179.1° | 179.8° |
| N4 | N3 | C13 | N6 | 0.1° | 0.4° |
| N3 | N4 | N5 | N6 | 0.2° | 0.3° |
| N3 | N4 | N5 | C14 | 179.7° | 179.7° |
| C13 | N3 | N4 | N5 | 0.0° | 0.4° |
| N3 | C13 | C12 | N6 | 179.2° | 179.7° |
| N3 | C13 | C12 | N1 | 142.2° | 90.3° |
| N3 | C13 | N6 | N5 | 0.3° | 0.3° |
| N3 | C13 | C12 | H9 | 97.7° | 149.7° |
| N3 | C13 | C12 | H10 | 22.1° | 29.8° |
| N4 | N5 | N6 | C13 | 0.3° | 0.0° |
| N4 | N5 | N6 | C14 | 179.5° | 180.0° |
| N4 | N5 | C14 | H11 | 0.0° | 90.0° |
| N4 | N5 | C14 | H12 | 120.0° | 30.0° |
| N4 | N5 | C14 | H13 | 120.0° | 149.9° |
| C9 | C10 | C11 | H17 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.3° |
| C9 | C10 | C11 | C6 | 0.4° | 0.0° |
| C9 | C10 | C11 | H16 | 179.6° | 180.0° |
| C10 | C9 | N2 | H18 | 180.0° | 0.0° |
| C10 | C9 | N2 | H19 | 60.0° | 180.0° |
| C10 | C9 | C8 | H20 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C7 | H20 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.0° | 0.6° |
| C8 | C9 | C10 | H17 | 179.7° | 179.9° |
| C8 | C9 | N2 | H18 | 0.7° | 180.0° |
| C8 | C9 | N2 | H19 | 120.7° | 0.0° |
| C9 | C8 | C7 | H21 | 180.0° | 179.9° |
| C10 | C11 | C6 | H16 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.4° | 0.3° |
| C10 | C11 | C6 | C5 | 178.8° | 180.0° |
| C8 | C7 | C6 | C11 | 0.2° | 0.6° |
| C8 | C7 | C6 | H21 | 180.0° | 179.5° |
| C8 | C7 | C6 | C5 | 178.9° | 179.7° |
| C13 | C12 | N1 | H9 | 120.1° | 120.0° |
| C13 | C12 | N1 | H10 | 120.1° | 120.0° |
| C12 | C13 | N6 | N5 | 179.1° | 180.0° |
| C13 | C12 | N1 | C5 | 116.7° | 90.0° |
| C13 | C12 | N1 | C4 | 63.0° | 90.0° |
| C13 | C12 | H9 | H10 | 119.7° | 120.0° |
| N1 | C12 | C13 | N6 | 38.6° | 90.0° |
| C12 | N1 | C5 | C6 | 70.7° | 90.0° |
| C12 | N1 | C5 | C4 | 179.6° | 180.0° |
| C12 | N1 | C4 | O2 | 2.7° | 180.0° |
| C12 | N1 | C4 | N | 177.0° | 0.2° |
| N1 | C12 | H9 | H10 | 119.7° | 120.0° |
| C12 | N1 | C5 | H14 | 49.5° | 30.0° |
| C12 | N1 | C5 | H15 | 169.1° | 150.0° |
| C13 | N6 | N5 | C14 | 179.8° | 180.0° |
| N6 | C13 | C12 | H9 | 81.5° | 30.0° |
| N6 | C13 | C12 | H10 | 158.7° | 150.0° |
| C11 | C6 | C7 | C5 | 179.1° | 179.7° |
| C11 | C6 | C5 | N1 | 27.7° | 90.0° |
| C11 | C6 | C5 | H14 | 147.9° | 30.0° |
| C11 | C6 | C5 | H15 | 92.5° | 150.0° |
| C6 | C11 | C10 | H17 | 179.6° | 179.9° |
| C11 | C6 | C7 | H21 | 179.9° | 180.0° |
| N6 | N5 | C14 | H11 | 179.4° | 90.0° |
| N6 | N5 | C14 | H12 | 60.6° | 150.0° |
| N6 | N5 | C14 | H13 | 59.5° | 30.1° |
| N5 | C14 | H11 | H12 | 120.1° | 120.0° |
| N5 | C14 | H11 | H13 | 120.0° | 120.1° |
| N5 | C14 | H12 | H13 | 120.0° | 119.9° |
| C7 | C6 | C5 | N1 | 153.2° | 90.3° |
| C7 | C6 | C5 | H14 | 33.0° | 149.8° |
| C7 | C6 | C5 | H15 | 86.6° | 29.8° |
| C7 | C6 | C11 | H16 | 179.7° | 179.8° |
| C6 | C7 | C8 | H20 | 180.0° | 179.7° |
| C6 | C5 | N1 | H14 | 120.2° | 119.9° |
| C6 | C5 | N1 | H15 | 120.2° | 120.1° |
| C6 | C5 | N1 | C4 | 109.6° | 90.1° |
| C6 | C5 | H14 | H15 | 119.4° | 120.1° |
| C5 | C6 | C11 | H16 | 1.2° | 0.0° |
| C5 | C6 | C7 | H21 | 1.1° | 0.2° |
| C5 | N1 | C4 | O2 | 177.7° | 0.0° |
| C5 | N1 | C4 | N | 2.6° | 179.7° |
| C5 | N1 | C12 | H9 | 3.4° | 150.0° |
| C5 | N1 | C12 | H10 | 123.2° | 30.0° |
| N1 | C5 | H14 | H15 | 119.4° | 120.0° |
| N1 | C4 | O2 | N | 179.7° | 179.7° |
| N1 | C4 | N | C3 | 167.2° | 179.7° |
| N1 | C4 | N | H1 | 12.8° | 0.2° |
| C4 | N1 | C12 | H9 | 176.9° | 30.0° |
| C4 | N1 | C12 | H10 | 57.1° | 150.0° |
| C4 | N1 | C5 | H14 | 130.2° | 150.0° |
| C4 | N1 | C5 | H15 | 10.5° | 30.0° |
| O2 | C4 | N | C3 | 13.0° | 0.0° |
| O2 | C4 | N | H1 | 167.0° | 180.0° |
| C4 | N | C3 | H1 | 180.0° | 179.9° |
| C4 | N | C3 | C2 | 42.8° | 180.0° |
| C4 | N | C3 | H2 | 77.9° | 60.1° |
| C4 | N | C3 | H3 | 163.4° | 60.0° |
| O1 | C2 | O | C1 | 5.9° | 0.0° |
| O1 | C2 | C3 | N | 51.2° | 0.0° |
| O1 | C2 | O | C3 | 179.2° | 180.0° |
| O1 | C2 | C3 | H2 | 171.9° | 120.0° |
| O1 | C2 | C3 | H3 | 69.4° | 120.0° |
| C | C1 | O | H4 | 119.6° | 120.0° |
| C | C1 | O | H5 | 119.6° | 120.0° |
| C | C1 | O | C2 | 165.2° | 180.0° |
| C | C1 | H4 | H5 | 121.1° | 120.0° |
| C1 | C | H6 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H8 | 120.0° | 120.1° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | O | C2 | C3 | 173.3° | 180.0° |
| O | C1 | H4 | H5 | 121.1° | 120.0° |
| O | C1 | C | H6 | 180.0° | 60.0° |
| O | C1 | C | H7 | 60.0° | 60.0° |
| O | C1 | C | H8 | 60.0° | 180.0° |
| N | C3 | C2 | O | 129.7° | 180.0° |
| N | C3 | C2 | H2 | 120.7° | 120.0° |
| N | C3 | C2 | H3 | 120.6° | 120.0° |
| N | C3 | H2 | H3 | 118.0° | 120.1° |
| O | C2 | C3 | H2 | 9.0° | 60.0° |
| O | C2 | C3 | H3 | 109.7° | 60.0° |
| C2 | O | C1 | H4 | 75.2° | 60.0° |
| C2 | O | C1 | H5 | 45.6° | 60.0° |
| C2 | C3 | N | H1 | 137.3° | 0.0° |
| C2 | C3 | H2 | H3 | 118.0° | 120.0° |
| H1 | N | C3 | H2 | 102.1° | 120.0° |
| H1 | N | C3 | H3 | 16.6° | 119.9° |
| H4 | C1 | C | H6 | 60.4° | 180.0° |
| H4 | C1 | C | H7 | 59.6° | 60.0° |
| H4 | C1 | C | H8 | 179.6° | 60.0° |
| H5 | C1 | C | H6 | 60.4° | 60.0° |
| H5 | C1 | C | H7 | 179.6° | 180.0° |
| H5 | C1 | C | H8 | 59.7° | 60.0° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H11 | C14 | H12 | H13 | 119.9° | 120.0° |
| H16 | C11 | C10 | H17 | 0.4° | 0.0° |
| H20 | C8 | C7 | H21 | 0.0° | 0.3° |
