FNM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N2 | sing | 1.40Å | 1.41Å | |
| N1 | C21 | sing | 1.40Å | 1.41Å | |
| N2 | C3 | sing | 1.37Å | 1.32Å | |
| N2 | C6 | sing | 1.35Å | 1.35Å | |
| C3 | S3 | sing | 1.76Å | 1.74Å | |
| C3 | N4 | doub | 1.30Å | 1.33Å | |
| S3 | C27 | sing | 1.81Å | 1.77Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | C8 | sing | 1.51Å | 1.54Å | |
| C6 | O6 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | C21 | 123.1° | 120.0° |
| N1 | N2 | C3 | 122.8° | 124.7° |
| N1 | N2 | C6 | 125.3° | 124.7° |
| N2 | N1 | HN1 | 105.2° | 120.0° |
| N1 | C21 | C22 | 119.1° | 120.1° |
| N1 | C21 | C26 | 121.8° | 120.1° |
| C21 | N1 | HN1 | 105.2° | 120.0° |
| C3 | N2 | C6 | 111.9° | 110.6° |
| N2 | C3 | S3 | 121.2° | 123.6° |
| N2 | C3 | N4 | 113.3° | 112.8° |
| N2 | C6 | C5 | 105.1° | 105.1° |
| N2 | C6 | O6 | 126.2° | 127.4° |
| S3 | C3 | N4 | 125.5° | 123.6° |
| C3 | S3 | C27 | 111.6° | 100.0° |
| C3 | N4 | C5 | 107.2° | 107.5° |
| S3 | C27 | H27 | 109.5° | 109.5° |
| S3 | C27 | H27A | 109.5° | 109.4° |
| S3 | C27 | H27B | 109.5° | 109.4° |
| N4 | C5 | C6 | 102.5° | 103.9° |
| N4 | C5 | C7 | 109.0° | 110.5° |
| N4 | C5 | C8 | 111.1° | 110.5° |
| C6 | C5 | C7 | 109.7° | 110.7° |
| C6 | C5 | C8 | 112.6° | 110.4° |
| C5 | C6 | O6 | 128.7° | 127.5° |
| C7 | C5 | C8 | 111.6° | 110.6° |
| C5 | C7 | H7 | 109.5° | 109.5° |
| C5 | C7 | H7A | 109.5° | 109.4° |
| C5 | C7 | H7B | 109.5° | 109.5° |
| C5 | C8 | C9 | 119.6° | 120.0° |
| C5 | C8 | C13 | 121.0° | 119.9° |
| C9 | C8 | C13 | 119.4° | 120.1° |
| C8 | C9 | C10 | 120.9° | 119.9° |
| C8 | C9 | H9 | 119.5° | 120.1° |
| C8 | C13 | C12 | 120.2° | 119.9° |
| C8 | C13 | H13 | 119.9° | 120.0° |
| C9 | C10 | C11 | 120.0° | 120.0° |
| C10 | C9 | H9 | 119.5° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C12 | C11 | H11 | 120.1° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C22 | C21 | C26 | 119.1° | 119.8° |
| C21 | C22 | C23 | 120.3° | 119.9° |
| C21 | C22 | H22 | 119.8° | 120.1° |
| C21 | C26 | C25 | 120.0° | 119.9° |
| C21 | C26 | H26 | 120.0° | 120.0° |
| C22 | C23 | C24 | 120.4° | 120.1° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | H23 | 119.8° | 119.9° |
| C23 | C24 | C25 | 119.8° | 120.2° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C23 | C24 | H24 | 120.1° | 119.9° |
| C24 | C25 | C26 | 120.4° | 120.1° |
| C25 | C24 | H24 | 120.1° | 119.9° |
| C24 | C25 | H25 | 119.8° | 120.0° |
| C26 | C25 | H25 | 119.8° | 119.9° |
| C25 | C26 | H26 | 120.0° | 120.1° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.5° |
| H27A | C27 | H27B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N1 | C21 | HN1 | 120.0° | 179.7° |
| N1 | N2 | C3 | C6 | 179.7° | 179.8° |
| N1 | N2 | C3 | S3 | 0.2° | 0.0° |
| N1 | N2 | C3 | N4 | 179.9° | 180.0° |
| N1 | N2 | C6 | C5 | 179.6° | 179.9° |
| N1 | N2 | C6 | O6 | 0.2° | 0.1° |
| N2 | N1 | C21 | C22 | 178.7° | 180.0° |
| N2 | N1 | C21 | C26 | 0.6° | 0.3° |
| C21 | N1 | N2 | C3 | 93.8° | 75.0° |
| C21 | N1 | N2 | C6 | 86.5° | 105.2° |
| N1 | C21 | C22 | C26 | 179.3° | 179.8° |
| N1 | C21 | C22 | C23 | 179.2° | 180.0° |
| N1 | C21 | C26 | C25 | 179.3° | 179.7° |
| N1 | C21 | C22 | H22 | 0.8° | 0.0° |
| N1 | C21 | C26 | H26 | 0.7° | 0.1° |
| N2 | C3 | S3 | N4 | 179.9° | 180.0° |
| N2 | C3 | S3 | C27 | 176.9° | 180.0° |
| N2 | C3 | N4 | C5 | 0.5° | 0.0° |
| C3 | N2 | C6 | C5 | 0.1° | 0.3° |
| C3 | N2 | C6 | O6 | 179.9° | 179.7° |
| C3 | N2 | N1 | HN1 | 26.2° | 105.3° |
| C6 | N2 | C3 | S3 | 179.9° | 179.8° |
| C6 | N2 | C3 | N4 | 0.2° | 0.2° |
| N2 | C6 | C5 | N4 | 0.4° | 0.3° |
| N2 | C6 | C5 | O6 | 179.8° | 180.0° |
| N2 | C6 | C5 | C7 | 115.3° | 118.4° |
| N2 | C6 | C5 | C8 | 119.8° | 118.8° |
| C6 | N2 | N1 | HN1 | 153.4° | 74.5° |
| S3 | C3 | N4 | C5 | 179.6° | 180.0° |
| C3 | S3 | C27 | H27 | 180.0° | 60.0° |
| C3 | S3 | C27 | H27A | 60.0° | 180.0° |
| C3 | S3 | C27 | H27B | 60.0° | 60.0° |
| N4 | C3 | S3 | C27 | 3.2° | 0.0° |
| C3 | N4 | C5 | C6 | 0.5° | 0.2° |
| C3 | N4 | C5 | C7 | 115.7° | 118.6° |
| C3 | N4 | C5 | C8 | 121.0° | 118.6° |
| S3 | C27 | H27 | H27A | 120.0° | 120.0° |
| S3 | C27 | H27 | H27B | 120.0° | 119.9° |
| S3 | C27 | H27A | H27B | 120.0° | 119.9° |
| N4 | C5 | C6 | C7 | 115.7° | 118.7° |
| N4 | C5 | C6 | C8 | 119.4° | 118.5° |
| N4 | C5 | C7 | C8 | 123.0° | 122.7° |
| N4 | C5 | C6 | O6 | 179.8° | 179.7° |
| N4 | C5 | C8 | C9 | 64.9° | 31.5° |
| N4 | C5 | C8 | C13 | 115.4° | 148.3° |
| N4 | C5 | C7 | H7 | 180.0° | 60.7° |
| N4 | C5 | C7 | H7A | 60.0° | 179.3° |
| N4 | C5 | C7 | H7B | 60.0° | 59.3° |
| C6 | C5 | C7 | C8 | 125.5° | 122.7° |
| C6 | C5 | C8 | C9 | 49.4° | 145.9° |
| C6 | C5 | C8 | C13 | 130.3° | 33.9° |
| C6 | C5 | C7 | H7 | 68.5° | 175.3° |
| C6 | C5 | C7 | H7A | 51.5° | 64.7° |
| C6 | C5 | C7 | H7B | 171.5° | 55.3° |
| C7 | C5 | C6 | O6 | 64.5° | 61.6° |
| C7 | C5 | C8 | C9 | 173.3° | 91.3° |
| C7 | C5 | C8 | C13 | 6.4° | 89.0° |
| C5 | C7 | H7 | H7A | 120.0° | 119.9° |
| C5 | C7 | H7 | H7B | 120.0° | 120.0° |
| C5 | C7 | H7A | H7B | 120.0° | 120.0° |
| C8 | C5 | C6 | O6 | 60.5° | 61.2° |
| C5 | C8 | C9 | C13 | 179.7° | 179.7° |
| C5 | C8 | C9 | C10 | 179.7° | 180.0° |
| C5 | C8 | C13 | C12 | 179.6° | 179.8° |
| C8 | C5 | C7 | H7 | 57.0° | 62.0° |
| C8 | C5 | C7 | H7A | 177.0° | 57.9° |
| C8 | C5 | C7 | H7B | 63.0° | 177.9° |
| C5 | C8 | C9 | H9 | 0.3° | 0.0° |
| C5 | C8 | C13 | H13 | 0.4° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C13 | C12 | 0.1° | 0.5° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C8 | C13 | H13 | 179.9° | 179.7° |
| C13 | C8 | C9 | C10 | 0.0° | 0.3° |
| C8 | C13 | C12 | C11 | 0.1° | 0.4° |
| C8 | C13 | C12 | H13 | 180.0° | 179.8° |
| C13 | C8 | C9 | H9 | 180.0° | 179.8° |
| C8 | C13 | C12 | H12 | 179.9° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.2° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C12 | C11 | C10 | H10 | 179.8° | 179.9° |
| C11 | C12 | C13 | H13 | 179.9° | 179.7° |
| C13 | C12 | C11 | H11 | 179.9° | 179.9° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C26 | C25 | 0.0° | 0.5° |
| C22 | C21 | N1 | HN1 | 61.2° | 0.3° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C21 | C26 | H26 | 180.0° | 179.8° |
| C26 | C21 | C22 | C23 | 0.2° | 0.2° |
| C21 | C26 | C25 | C24 | 0.2° | 0.5° |
| C21 | C26 | C25 | H26 | 180.0° | 179.7° |
| C26 | C21 | N1 | HN1 | 119.4° | 180.0° |
| C26 | C21 | C22 | H22 | 179.8° | 179.7° |
| C21 | C26 | C25 | H25 | 179.8° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.2° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 179.7° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C25 | C24 | C23 | H23 | 179.9° | 180.0° |
| C24 | C25 | C26 | H26 | 179.8° | 179.8° |
| C26 | C25 | C24 | H24 | 179.7° | 179.7° |
| H7 | C7 | H7A | H7B | 120.0° | 120.1° |
| H9 | C9 | C10 | H10 | 0.1° | 0.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.1° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| H24 | C24 | C25 | H25 | 0.3° | 0.1° |
| H25 | C25 | C26 | H26 | 0.2° | 0.0° |
| H27 | C27 | H27A | H27B | 119.9° | 120.1° |
