FM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | sing | 1.53Å | 1.49Å | |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| C16 | N5 | sing | 1.46Å | 1.46Å | |
| N5 | C4 | sing | 1.39Å | 1.45Å | |
| N1 | C4 | doub | 1.33Å | 1.40Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.47Å | Aromatic |
| C1 | N2 | doub | 1.32Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.48Å | 1.51Å | |
| C5 | N3 | sing | 1.33Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.35Å | 1.40Å | Aromatic |
| N3 | C7 | doub | 1.30Å | 1.36Å | Aromatic |
| C6 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| O1 | C8 | doub | 1.22Å | 1.21Å | |
| C7 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C7 | N4 | sing | 1.39Å | 1.45Å | |
| C8 | N4 | sing | 1.35Å | 1.46Å | |
| C8 | C10 | sing | 1.48Å | 1.53Å | |
| N4 | C9 | sing | 1.47Å | 1.40Å | |
| C15 | C10 | doub | 1.40Å | 1.50Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.47Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.47Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.32Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C16 | C17 | 109.9° | 109.5° |
| C18 | C16 | N5 | 109.6° | 109.5° |
| C18 | C16 | H6 | 109.3° | 109.4° |
| C16 | C18 | H10 | 109.5° | 109.5° |
| C16 | C18 | H11 | 109.5° | 109.5° |
| C16 | C18 | H12 | 109.5° | 109.4° |
| C17 | C16 | N5 | 109.1° | 109.5° |
| C17 | C16 | H6 | 109.2° | 109.4° |
| C16 | C17 | H7 | 109.5° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.5° |
| C16 | C17 | H9 | 109.4° | 109.5° |
| C16 | N5 | C4 | 122.5° | 120.0° |
| N5 | C16 | H6 | 109.7° | 109.5° |
| C16 | N5 | H14 | 106.1° | 120.0° |
| N5 | C4 | N1 | 120.1° | 120.5° |
| N5 | C4 | C3 | 118.4° | 120.5° |
| C4 | N5 | H14 | 106.1° | 120.0° |
| C4 | N1 | C1 | 118.2° | 121.0° |
| N1 | C4 | C3 | 121.4° | 119.0° |
| N1 | C1 | N2 | 123.0° | 121.9° |
| N1 | C1 | H1 | 118.5° | 119.0° |
| C4 | C3 | C2 | 116.8° | 118.2° |
| C4 | C3 | H13 | 121.6° | 120.9° |
| C1 | N2 | C2 | 121.0° | 120.9° |
| N2 | C1 | H1 | 118.5° | 119.0° |
| C3 | C2 | N2 | 119.5° | 119.0° |
| C3 | C2 | C5 | 122.6° | 120.5° |
| C2 | C3 | H13 | 121.6° | 120.9° |
| N2 | C2 | C5 | 117.4° | 120.5° |
| C2 | C5 | N3 | 125.9° | 122.4° |
| C2 | C5 | C6 | 119.9° | 122.3° |
| N3 | C5 | C6 | 113.7° | 115.2° |
| C5 | N3 | C7 | 111.0° | 116.9° |
| C5 | C6 | S1 | 110.7° | 108.2° |
| C5 | C6 | H15 | 124.6° | 125.9° |
| N3 | C7 | S1 | 114.6° | 109.5° |
| N3 | C7 | N4 | 127.0° | 125.2° |
| C6 | S1 | C7 | 89.8° | 90.1° |
| S1 | C6 | H15 | 124.6° | 125.9° |
| O1 | C8 | N4 | 120.9° | 120.0° |
| O1 | C8 | C10 | 119.0° | 120.0° |
| S1 | C7 | N4 | 118.2° | 125.3° |
| C7 | N4 | C8 | 121.9° | 120.0° |
| C7 | N4 | C9 | 117.8° | 120.0° |
| N4 | C8 | C10 | 120.1° | 120.0° |
| C8 | N4 | C9 | 120.2° | 120.0° |
| C8 | C10 | C15 | 118.8° | 120.2° |
| C8 | C10 | C11 | 120.5° | 120.1° |
| N4 | C9 | H16 | 109.5° | 109.5° |
| N4 | C9 | H17 | 109.5° | 109.5° |
| N4 | C9 | H18 | 109.5° | 109.4° |
| C10 | C15 | C14 | 119.0° | 119.9° |
| C15 | C10 | C11 | 120.5° | 119.7° |
| C10 | C15 | H5 | 120.5° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.1° |
| C15 | C14 | H4 | 119.8° | 120.0° |
| C14 | C15 | H5 | 120.5° | 120.1° |
| C10 | C11 | C12 | 120.2° | 119.9° |
| C10 | C11 | H2 | 119.9° | 120.1° |
| C14 | C13 | C12 | 121.2° | 120.3° |
| C14 | C13 | F1 | 118.6° | 119.8° |
| C13 | C14 | H4 | 119.7° | 120.0° |
| C11 | C12 | C13 | 118.5° | 120.1° |
| C12 | C11 | H2 | 119.9° | 120.1° |
| C11 | C12 | H3 | 120.7° | 119.9° |
| C12 | C13 | F1 | 120.2° | 119.9° |
| C13 | C12 | H3 | 120.7° | 119.9° |
| H7 | C17 | H8 | 109.5° | 109.4° |
| H7 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H10 | C18 | H12 | 109.4° | 109.4° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C16 | C17 | N5 | 120.2° | 120.1° |
| C18 | C16 | C17 | H6 | 119.9° | 119.9° |
| C18 | C16 | N5 | H6 | 120.0° | 120.0° |
| C18 | C16 | N5 | C4 | 95.0° | 85.0° |
| C18 | C16 | C17 | H7 | 180.0° | 60.1° |
| C18 | C16 | C17 | H8 | 60.0° | 59.9° |
| C18 | C16 | C17 | H9 | 60.0° | 179.9° |
| C16 | C18 | H10 | H11 | 120.0° | 120.1° |
| C16 | C18 | H10 | H12 | 120.0° | 119.9° |
| C16 | C18 | H11 | H12 | 120.0° | 120.0° |
| C18 | C16 | N5 | H14 | 143.2° | 95.0° |
| C17 | C16 | N5 | H6 | 119.6° | 120.0° |
| C17 | C16 | N5 | C4 | 144.6° | 155.0° |
| C16 | C17 | H7 | H8 | 120.0° | 120.0° |
| C16 | C17 | H7 | H9 | 120.0° | 120.0° |
| C16 | C17 | H8 | H9 | 120.0° | 120.0° |
| C17 | C16 | C18 | H10 | 180.0° | 180.0° |
| C17 | C16 | C18 | H11 | 60.0° | 60.0° |
| C17 | C16 | C18 | H12 | 60.0° | 60.1° |
| C17 | C16 | N5 | H14 | 22.8° | 25.0° |
| C16 | N5 | C4 | H14 | 121.8° | 180.0° |
| C16 | N5 | C4 | N1 | 14.0° | 180.0° |
| C16 | N5 | C4 | C3 | 168.2° | 0.0° |
| N5 | C16 | C17 | H7 | 59.8° | 60.0° |
| N5 | C16 | C17 | H8 | 179.8° | 180.0° |
| N5 | C16 | C17 | H9 | 60.2° | 60.0° |
| N5 | C16 | C18 | H10 | 60.1° | 60.0° |
| N5 | C16 | C18 | H11 | 59.9° | 180.0° |
| N5 | C16 | C18 | H12 | 179.9° | 60.0° |
| N5 | C4 | N1 | C3 | 177.8° | 180.0° |
| N5 | C4 | N1 | C1 | 179.4° | 180.0° |
| N5 | C4 | C3 | C2 | 177.4° | 179.7° |
| C4 | N5 | C16 | H6 | 24.9° | 35.0° |
| N5 | C4 | C3 | H13 | 2.6° | 0.2° |
| C4 | N1 | C1 | N2 | 0.6° | 0.0° |
| N1 | C4 | C3 | C2 | 0.4° | 0.3° |
| C4 | N1 | C1 | H1 | 179.4° | 179.7° |
| N1 | C4 | C3 | H13 | 179.6° | 179.8° |
| N1 | C4 | N5 | H14 | 135.8° | 0.0° |
| C1 | N1 | C4 | C3 | 1.6° | 0.0° |
| N1 | C1 | N2 | H1 | 180.0° | 179.7° |
| N1 | C1 | N2 | C2 | 2.6° | 0.3° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C4 | C3 | C2 | N2 | 3.4° | 0.5° |
| C4 | C3 | C2 | C5 | 175.3° | 180.0° |
| C3 | C4 | N5 | H14 | 46.4° | 180.0° |
| C1 | N2 | C2 | C3 | 4.6° | 0.5° |
| C1 | N2 | C2 | C5 | 176.8° | 180.0° |
| C3 | C2 | N2 | C5 | 172.3° | 179.5° |
| C3 | C2 | C5 | N3 | 15.0° | 0.6° |
| C3 | C2 | C5 | C6 | 173.9° | 179.6° |
| N2 | C2 | C5 | N3 | 157.0° | 180.0° |
| N2 | C2 | C5 | C6 | 14.1° | 0.1° |
| C2 | N2 | C1 | H1 | 177.5° | 180.0° |
| N2 | C2 | C3 | H13 | 176.6° | 179.5° |
| C2 | C5 | N3 | C6 | 171.6° | 179.9° |
| C2 | C5 | N3 | C7 | 175.0° | 180.0° |
| C2 | C5 | C6 | S1 | 174.4° | 180.0° |
| C5 | C2 | C3 | H13 | 4.7° | 0.1° |
| C2 | C5 | C6 | H15 | 5.6° | 0.1° |
| N3 | C5 | C6 | S1 | 2.2° | 0.1° |
| C5 | N3 | C7 | S1 | 3.1° | 0.1° |
| C5 | N3 | C7 | N4 | 178.3° | 179.9° |
| N3 | C5 | C6 | H15 | 177.7° | 179.9° |
| C6 | C5 | N3 | C7 | 3.4° | 0.1° |
| C5 | C6 | S1 | H15 | 180.0° | 180.0° |
| C5 | C6 | S1 | C7 | 0.4° | 0.0° |
| N3 | C7 | S1 | C6 | 1.6° | 0.0° |
| N3 | C7 | S1 | N4 | 175.7° | 180.0° |
| N3 | C7 | N4 | C8 | 17.1° | 180.0° |
| N3 | C7 | N4 | C9 | 167.8° | 0.0° |
| C6 | S1 | C7 | N4 | 177.3° | 180.0° |
| O1 | C8 | N4 | C7 | 3.0° | 5.5° |
| O1 | C8 | N4 | C10 | 179.1° | 180.0° |
| O1 | C8 | N4 | C9 | 178.1° | 174.5° |
| O1 | C8 | C10 | C15 | 53.6° | 31.0° |
| O1 | C8 | C10 | C11 | 120.4° | 148.7° |
| S1 | C7 | N4 | C8 | 158.0° | 0.0° |
| S1 | C7 | N4 | C9 | 17.1° | 180.0° |
| C7 | S1 | C6 | H15 | 179.5° | 180.0° |
| C7 | N4 | C8 | C9 | 175.1° | 180.0° |
| C7 | N4 | C8 | C10 | 176.1° | 174.5° |
| C7 | N4 | C9 | H16 | 180.0° | 89.9° |
| C7 | N4 | C9 | H17 | 60.0° | 150.1° |
| C7 | N4 | C9 | H18 | 60.0° | 30.1° |
| N4 | C8 | C10 | C15 | 127.3° | 148.9° |
| N4 | C8 | C10 | C11 | 58.7° | 31.4° |
| C8 | N4 | C9 | H16 | 4.7° | 90.1° |
| C8 | N4 | C9 | H17 | 124.7° | 29.9° |
| C8 | N4 | C9 | H18 | 115.3° | 150.0° |
| C10 | C8 | N4 | C9 | 1.0° | 5.5° |
| C8 | C10 | C15 | C11 | 174.0° | 179.7° |
| C8 | C10 | C15 | C14 | 174.5° | 179.8° |
| C8 | C10 | C11 | C12 | 175.1° | 179.7° |
| C8 | C10 | C11 | H2 | 4.9° | 0.4° |
| C8 | C10 | C15 | H5 | 5.6° | 0.3° |
| N4 | C9 | H16 | H17 | 120.0° | 120.0° |
| N4 | C9 | H16 | H18 | 120.0° | 119.9° |
| N4 | C9 | H17 | H18 | 120.0° | 120.0° |
| C10 | C15 | C14 | H5 | 180.0° | 179.9° |
| C10 | C15 | C14 | C13 | 0.8° | 0.1° |
| C15 | C10 | C11 | C12 | 1.1° | 0.0° |
| C15 | C10 | C11 | H2 | 178.9° | 179.9° |
| C10 | C15 | C14 | H4 | 179.2° | 179.9° |
| C14 | C15 | C10 | C11 | 0.4° | 0.1° |
| C15 | C14 | C13 | H4 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.4° | 0.1° |
| C15 | C14 | C13 | F1 | 178.1° | 179.9° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C10 | C11 | C12 | H3 | 179.4° | 180.0° |
| C11 | C10 | C15 | H5 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C14 | C13 | C12 | F1 | 179.4° | 180.0° |
| C14 | C13 | C12 | H3 | 179.4° | 180.0° |
| C13 | C14 | C15 | H5 | 179.2° | 180.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | F1 | 178.8° | 180.0° |
| C13 | C12 | C11 | H2 | 179.4° | 179.9° |
| C12 | C13 | C14 | H4 | 178.6° | 180.0° |
| F1 | C13 | C12 | H3 | 1.2° | 0.0° |
| F1 | C13 | C14 | H4 | 1.9° | 0.0° |
| H2 | C11 | C12 | H3 | 0.6° | 0.1° |
| H4 | C14 | C15 | H5 | 0.8° | 0.0° |
| H6 | C16 | C17 | H7 | 60.1° | 180.0° |
| H6 | C16 | C17 | H8 | 59.9° | 60.0° |
| H6 | C16 | C17 | H9 | 179.8° | 60.0° |
| H6 | C16 | C18 | H10 | 60.2° | 60.1° |
| H6 | C16 | C18 | H11 | 179.8° | 59.9° |
| H6 | C16 | C18 | H12 | 59.8° | 180.0° |
| H6 | C16 | N5 | H14 | 96.8° | 145.0° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H10 | C18 | H11 | H12 | 119.9° | 120.0° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
