FCW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
| C3 | N16 | sing | 1.40Å | 1.39Å | |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.47Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | O15 | doub | 1.21Å | 1.24Å | |
| C14 | N16 | sing | 1.34Å | 1.41Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.4° | 120.3° |
| C1 | C2 | C3 | 117.2° | 120.2° |
| C2 | C1 | H1 | 119.3° | 119.9° |
| C1 | C2 | H2 | 121.4° | 119.9° |
| C1 | C6 | C5 | 119.5° | 119.9° |
| C1 | C6 | C7 | 123.1° | 120.1° |
| C6 | C1 | H1 | 119.3° | 119.8° |
| C2 | C3 | C4 | 122.3° | 118.9° |
| C2 | C3 | N16 | 128.7° | 130.8° |
| C3 | C2 | H2 | 121.4° | 119.9° |
| C4 | C3 | N16 | 109.0° | 110.3° |
| C3 | C4 | C5 | 120.3° | 120.8° |
| C3 | C4 | C13 | 112.8° | 106.3° |
| C3 | N16 | C14 | 109.4° | 112.2° |
| C3 | N16 | HN16 | 125.3° | 123.9° |
| C5 | C4 | C13 | 126.9° | 132.9° |
| C4 | C5 | C6 | 119.4° | 119.9° |
| C4 | C5 | H5 | 120.3° | 120.1° |
| C4 | C13 | C14 | 100.0° | 104.1° |
| C4 | C13 | H13 | 111.8° | 110.5° |
| C4 | C13 | H13A | 111.8° | 110.5° |
| C5 | C6 | C7 | 117.4° | 120.1° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C6 | C7 | C8 | 116.1° | 109.5° |
| C6 | C7 | C12 | 114.3° | 109.5° |
| C6 | C7 | H7 | 104.1° | 109.5° |
| C8 | C7 | C12 | 112.6° | 109.5° |
| C7 | C8 | C9 | 108.9° | 109.4° |
| C8 | C7 | H7 | 103.9° | 109.5° |
| C7 | C8 | H8 | 109.6° | 109.5° |
| C7 | C8 | H8A | 109.6° | 109.5° |
| C7 | C12 | C11 | 109.4° | 109.5° |
| C12 | C7 | H7 | 103.9° | 109.5° |
| C7 | C12 | H12 | 109.5° | 109.5° |
| C7 | C12 | H12A | 109.5° | 109.4° |
| C8 | C9 | C10 | 113.4° | 109.5° |
| C9 | C8 | H8 | 109.6° | 109.5° |
| C9 | C8 | H8A | 109.6° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C8 | C9 | H9A | 108.5° | 109.5° |
| C9 | C10 | C11 | 114.3° | 109.5° |
| C10 | C9 | H9 | 108.5° | 109.5° |
| C10 | C9 | H9A | 108.5° | 109.5° |
| C9 | C10 | H10 | 108.2° | 109.5° |
| C9 | C10 | H10A | 108.2° | 109.4° |
| C10 | C11 | C12 | 110.3° | 109.5° |
| C11 | C10 | H10 | 108.2° | 109.5° |
| C11 | C10 | H10A | 108.3° | 109.5° |
| C10 | C11 | H11 | 109.3° | 109.5° |
| C10 | C11 | H11A | 109.3° | 109.5° |
| C12 | C11 | H11 | 109.3° | 109.5° |
| C12 | C11 | H11A | 109.2° | 109.4° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H12A | 109.5° | 109.5° |
| C13 | C14 | O15 | 123.4° | 126.4° |
| C13 | C14 | N16 | 108.6° | 107.1° |
| C14 | C13 | H13 | 111.8° | 110.6° |
| C14 | C13 | H13A | 111.7° | 110.5° |
| O15 | C14 | N16 | 128.0° | 126.4° |
| C14 | N16 | HN16 | 125.3° | 123.9° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| H13 | C13 | H13A | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C1 | C2 | C3 | N16 | 179.2° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | C7 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.0° |
| C1 | C6 | C5 | C7 | 179.6° | 180.0° |
| C1 | C6 | C7 | C8 | 63.4° | 60.0° |
| C1 | C6 | C7 | C12 | 70.4° | 60.0° |
| C6 | C1 | C2 | H2 | 179.1° | 179.9° |
| C1 | C6 | C5 | H5 | 179.2° | 180.0° |
| C1 | C6 | C7 | H7 | 177.0° | 179.9° |
| C2 | C3 | C4 | N16 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C13 | 179.5° | 180.0° |
| C2 | C3 | N16 | C14 | 178.1° | 180.0° |
| C3 | C2 | C1 | H1 | 179.1° | 179.8° |
| C2 | C3 | N16 | HN16 | 2.0° | 0.1° |
| C3 | C4 | C5 | C13 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| C3 | C4 | C13 | C14 | 2.3° | 0.0° |
| C4 | C3 | N16 | C14 | 2.1° | 0.0° |
| C4 | C3 | C2 | H2 | 179.1° | 180.0° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C3 | C4 | C13 | H13 | 116.1° | 118.7° |
| C3 | C4 | C13 | H13A | 120.8° | 118.7° |
| C4 | C3 | N16 | HN16 | 177.9° | 179.9° |
| N16 | C3 | C4 | C5 | 179.9° | 179.9° |
| N16 | C3 | C4 | C13 | 0.3° | 0.0° |
| C3 | N16 | C14 | C13 | 3.6° | 0.0° |
| C3 | N16 | C14 | O15 | 177.2° | 180.0° |
| C3 | N16 | C14 | HN16 | 180.0° | 179.9° |
| N16 | C3 | C2 | H2 | 0.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 178.8° | 180.0° |
| C5 | C4 | C13 | C14 | 178.1° | 180.0° |
| C5 | C4 | C13 | H13 | 63.5° | 61.3° |
| C5 | C4 | C13 | H13A | 59.7° | 61.3° |
| C13 | C4 | C5 | C6 | 179.7° | 180.0° |
| C4 | C13 | C14 | H13 | 118.4° | 118.6° |
| C4 | C13 | C14 | H13A | 118.5° | 118.6° |
| C4 | C13 | C14 | O15 | 177.3° | 180.0° |
| C4 | C13 | C14 | N16 | 3.5° | 0.0° |
| C13 | C4 | C5 | H5 | 0.3° | 0.0° |
| C4 | C13 | H13 | H13A | 124.4° | 122.6° |
| C5 | C6 | C7 | C8 | 117.0° | 120.0° |
| C5 | C6 | C7 | C12 | 109.2° | 120.0° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C5 | C6 | C7 | H7 | 3.4° | 0.0° |
| C6 | C7 | C8 | C12 | 134.5° | 120.0° |
| C6 | C7 | C8 | H7 | 113.7° | 120.0° |
| C6 | C7 | C12 | H7 | 112.8° | 120.0° |
| C6 | C7 | C8 | C9 | 167.5° | 180.0° |
| C6 | C7 | C12 | C11 | 162.8° | 180.0° |
| C7 | C6 | C1 | H1 | 0.3° | 0.2° |
| C7 | C6 | C5 | H5 | 1.2° | 0.0° |
| C6 | C7 | C8 | H8 | 47.6° | 60.0° |
| C6 | C7 | C8 | H8A | 72.6° | 60.0° |
| C6 | C7 | C12 | H12 | 77.2° | 59.9° |
| C6 | C7 | C12 | H12A | 42.9° | 60.0° |
| C8 | C7 | C12 | H7 | 111.8° | 120.0° |
| C7 | C8 | C9 | H8 | 119.9° | 120.0° |
| C7 | C8 | C9 | H8A | 119.9° | 120.0° |
| C7 | C8 | C9 | C10 | 50.6° | 60.0° |
| C8 | C7 | C12 | C11 | 61.8° | 60.0° |
| C7 | C8 | H8 | H8A | 120.3° | 120.0° |
| C7 | C8 | C9 | H9 | 70.0° | 60.0° |
| C7 | C8 | C9 | H9A | 171.1° | 180.0° |
| C8 | C7 | C12 | H12 | 58.2° | 60.0° |
| C8 | C7 | C12 | H12A | 178.3° | 179.9° |
| C12 | C7 | C8 | C9 | 58.0° | 60.0° |
| C7 | C12 | C11 | C10 | 55.9° | 60.0° |
| C7 | C12 | C11 | H12 | 120.0° | 120.0° |
| C7 | C12 | C11 | H12A | 120.0° | 120.0° |
| C12 | C7 | C8 | H8 | 177.9° | 180.0° |
| C12 | C7 | C8 | H8A | 61.9° | 60.0° |
| C7 | C12 | C11 | H11 | 64.3° | 60.0° |
| C7 | C12 | C11 | H11A | 176.0° | 180.0° |
| C7 | C12 | H12 | H12A | 120.0° | 119.9° |
| C8 | C9 | C10 | H9 | 120.6° | 120.0° |
| C8 | C9 | C10 | H9A | 120.6° | 120.0° |
| C8 | C9 | C10 | C11 | 49.1° | 60.0° |
| C9 | C8 | C7 | H7 | 53.8° | 60.0° |
| C9 | C8 | H8 | H8A | 120.3° | 120.0° |
| C8 | C9 | H9 | H9A | 118.2° | 120.0° |
| C8 | C9 | C10 | H10 | 169.8° | 179.9° |
| C8 | C9 | C10 | H10A | 71.6° | 60.0° |
| C9 | C10 | C11 | H10 | 120.7° | 120.1° |
| C9 | C10 | C11 | H10A | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 51.0° | 60.0° |
| C10 | C9 | C8 | H8 | 170.5° | 180.0° |
| C10 | C9 | C8 | H8A | 69.3° | 60.0° |
| C10 | C9 | H9 | H9A | 118.2° | 120.0° |
| C9 | C10 | H10 | H10A | 117.8° | 119.9° |
| C9 | C10 | C11 | H11 | 69.1° | 60.0° |
| C9 | C10 | C11 | H11A | 171.1° | 180.0° |
| C10 | C11 | C12 | H11 | 120.1° | 120.0° |
| C10 | C11 | C12 | H11A | 120.1° | 120.0° |
| C11 | C10 | C9 | H9 | 71.5° | 60.0° |
| C11 | C10 | C9 | H9A | 169.7° | 180.0° |
| C11 | C10 | H10 | H10A | 117.8° | 120.0° |
| C10 | C11 | H11 | H11A | 119.6° | 120.1° |
| C10 | C11 | C12 | H12 | 64.1° | 60.0° |
| C10 | C11 | C12 | H12A | 175.8° | 180.0° |
| C11 | C12 | C7 | H7 | 50.0° | 60.0° |
| C12 | C11 | C10 | H10 | 171.7° | 180.0° |
| C12 | C11 | C10 | H10A | 69.7° | 60.0° |
| C12 | C11 | H11 | H11A | 119.6° | 119.9° |
| C11 | C12 | H12 | H12A | 120.0° | 120.0° |
| C13 | C14 | O15 | N16 | 179.1° | 180.0° |
| C14 | C13 | H13 | H13A | 124.4° | 122.7° |
| C13 | C14 | N16 | HN16 | 176.4° | 179.9° |
| O15 | C14 | C13 | H13 | 64.3° | 61.3° |
| O15 | C14 | C13 | H13A | 58.8° | 61.4° |
| O15 | C14 | N16 | HN16 | 2.8° | 0.1° |
| N16 | C14 | C13 | H13 | 114.9° | 118.7° |
| N16 | C14 | C13 | H13A | 122.0° | 118.6° |
| H1 | C1 | C2 | H2 | 0.9° | 0.3° |
| H7 | C7 | C8 | H8 | 66.1° | 60.0° |
| H7 | C7 | C8 | H8A | 173.7° | 180.0° |
| H7 | C7 | C12 | H12 | 170.0° | 180.0° |
| H7 | C7 | C12 | H12A | 69.9° | 60.0° |
| H8 | C8 | C9 | H9 | 49.9° | 60.0° |
| H8 | C8 | C9 | H9A | 69.0° | 60.0° |
| H8A | C8 | C9 | H9 | 170.1° | 180.0° |
| H8A | C8 | C9 | H9A | 51.3° | 60.0° |
| H9 | C9 | C10 | H10 | 49.2° | 60.0° |
| H9 | C9 | C10 | H10A | 167.8° | 180.0° |
| H9A | C9 | C10 | H10 | 69.6° | 60.0° |
| H9A | C9 | C10 | H10A | 48.9° | 60.0° |
| H10 | C10 | C11 | H11 | 51.6° | 60.0° |
| H10 | C10 | C11 | H11A | 68.2° | 60.0° |
| H10A | C10 | C11 | H11 | 170.2° | 180.0° |
| H10A | C10 | C11 | H11A | 50.4° | 60.0° |
| H11 | C11 | C12 | H12 | 175.8° | 179.9° |
| H11 | C11 | C12 | H12A | 55.7° | 60.0° |
| H11A | C11 | C12 | H12 | 56.0° | 60.0° |
| H11A | C11 | C12 | H12A | 64.0° | 60.0° |
