28F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N3 | sing | 1.47Å | 1.44Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| C4 | N6 | sing | 1.35Å | 1.38Å | |
| N6 | C7 | sing | 1.39Å | 1.39Å | |
| C7 | S15 | sing | 1.76Å | 1.76Å | Aromatic |
| C7 | N8 | doub | 1.29Å | 1.32Å | Aromatic |
| S15 | C14 | sing | 1.76Å | 1.75Å | Aromatic |
| N8 | C9 | sing | 1.35Å | 1.37Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.33Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| N13 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | O16 | sing | 1.36Å | 1.37Å | |
| C11 | C23 | sing | 1.48Å | 1.49Å | |
| O16 | C17 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | N25 | sing | 1.32Å | 1.35Å | Aromatic |
| C22 | O21 | sing | 1.45Å | 1.43Å | |
| C22 | C18 | sing | 1.55Å | 1.49Å | |
| O21 | C20 | sing | 1.44Å | 1.44Å | |
| C28 | N27 | doub | 1.32Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.55Å | 1.51Å | |
| N25 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| N27 | C26 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 109.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.4° | 109.5° |
| C1 | C2 | H5 | 109.4° | 109.5° |
| C2 | N3 | C4 | 122.9° | 120.0° |
| N3 | C2 | H4 | 109.4° | 109.5° |
| N3 | C2 | H5 | 109.5° | 109.4° |
| C2 | N3 | H15 | 118.5° | 120.0° |
| N3 | C4 | O5 | 124.3° | 120.0° |
| N3 | C4 | N6 | 112.1° | 120.0° |
| C4 | N3 | H15 | 118.5° | 120.0° |
| O5 | C4 | N6 | 123.5° | 120.0° |
| C4 | N6 | C7 | 121.2° | 120.0° |
| C4 | N6 | H6 | 119.4° | 119.9° |
| N6 | C7 | S15 | 121.6° | 124.8° |
| N6 | C7 | N8 | 121.2° | 124.8° |
| C7 | N6 | H6 | 119.4° | 120.0° |
| S15 | C7 | N8 | 117.2° | 110.4° |
| C7 | S15 | C14 | 86.1° | 90.5° |
| C7 | N8 | C9 | 110.3° | 117.8° |
| S15 | C14 | C9 | 112.2° | 108.2° |
| S15 | C14 | N13 | 120.8° | 130.8° |
| N8 | C9 | C14 | 114.2° | 113.0° |
| N8 | C9 | C10 | 128.3° | 128.9° |
| C14 | C9 | C10 | 117.5° | 118.1° |
| C9 | C14 | N13 | 126.9° | 121.0° |
| C9 | C10 | C11 | 119.6° | 118.9° |
| C9 | C10 | H7 | 120.2° | 120.6° |
| C14 | N13 | C12 | 112.9° | 122.2° |
| C10 | C11 | C12 | 116.1° | 119.3° |
| C10 | C11 | C23 | 121.6° | 120.4° |
| C11 | C10 | H7 | 120.1° | 120.6° |
| N13 | C12 | C11 | 126.9° | 120.5° |
| N13 | C12 | O16 | 117.1° | 119.8° |
| C11 | C12 | O16 | 116.0° | 119.7° |
| C12 | C11 | C23 | 122.2° | 120.3° |
| C12 | O16 | C17 | 122.1° | 117.0° |
| C11 | C23 | C24 | 124.5° | 120.9° |
| C11 | C23 | C28 | 121.8° | 121.0° |
| O16 | C17 | C18 | 104.2° | 109.5° |
| O16 | C17 | H16 | 110.8° | 109.5° |
| O16 | C17 | H17 | 110.8° | 109.5° |
| C24 | C23 | C28 | 113.7° | 118.2° |
| C23 | C24 | N25 | 123.8° | 119.0° |
| C23 | C24 | H14 | 118.1° | 120.6° |
| C23 | C28 | N27 | 125.7° | 119.0° |
| C23 | C28 | H20 | 117.1° | 120.5° |
| C17 | C18 | C22 | 109.2° | 110.9° |
| C17 | C18 | C19 | 112.1° | 111.1° |
| C18 | C17 | H16 | 110.8° | 109.4° |
| C18 | C17 | H17 | 110.8° | 109.5° |
| C17 | C18 | H18 | 110.7° | 110.8° |
| C24 | N25 | C26 | 116.1° | 120.9° |
| N25 | C24 | H14 | 118.1° | 120.5° |
| O21 | C22 | C18 | 103.5° | 103.5° |
| C22 | O21 | C20 | 107.3° | 106.9° |
| O21 | C22 | H12 | 111.0° | 110.6° |
| O21 | C22 | H13 | 110.9° | 110.6° |
| C22 | C18 | C19 | 102.3° | 102.1° |
| C18 | C22 | H12 | 110.9° | 110.7° |
| C18 | C22 | H13 | 111.0° | 110.5° |
| C22 | C18 | H18 | 111.2° | 110.9° |
| O21 | C20 | C19 | 107.4° | 107.3° |
| O21 | C20 | H10 | 110.0° | 109.9° |
| O21 | C20 | H11 | 110.0° | 110.0° |
| C28 | N27 | C26 | 114.3° | 121.0° |
| N27 | C28 | H20 | 117.2° | 120.5° |
| C18 | C19 | C20 | 102.1° | 104.3° |
| C18 | C19 | H8 | 111.3° | 110.5° |
| C18 | C19 | H9 | 111.3° | 110.4° |
| C19 | C18 | H18 | 111.0° | 110.8° |
| N25 | C26 | N27 | 126.4° | 122.1° |
| N25 | C26 | H19 | 116.8° | 118.9° |
| C20 | C19 | H8 | 111.3° | 110.5° |
| C20 | C19 | H9 | 111.3° | 110.5° |
| C19 | C20 | H10 | 110.0° | 109.9° |
| C19 | C20 | H11 | 110.0° | 109.9° |
| N27 | C26 | H19 | 116.8° | 119.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H8 | C19 | H9 | 109.4° | 110.5° |
| H10 | C20 | H11 | 109.5° | 109.9° |
| H12 | C22 | H13 | 109.5° | 110.7° |
| H16 | C17 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | H4 | 120.0° | 120.1° |
| C1 | C2 | N3 | H5 | 120.0° | 120.0° |
| C1 | C2 | N3 | C4 | 135.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 119.9° | 120.0° |
| C1 | C2 | N3 | H15 | 44.1° | 0.1° |
| C2 | N3 | C4 | H15 | 180.0° | 179.9° |
| C2 | N3 | C4 | O5 | 8.6° | 0.1° |
| C2 | N3 | C4 | N6 | 172.9° | 180.0° |
| N3 | C2 | C1 | H1 | 180.0° | 180.0° |
| N3 | C2 | C1 | H2 | 60.0° | 60.0° |
| N3 | C2 | C1 | H3 | 60.0° | 59.9° |
| N3 | C2 | H4 | H5 | 119.9° | 119.9° |
| N3 | C4 | O5 | N6 | 178.4° | 179.9° |
| N3 | C4 | N6 | C7 | 175.5° | 180.0° |
| C4 | N3 | C2 | H4 | 104.0° | 59.9° |
| C4 | N3 | C2 | H5 | 15.9° | 60.0° |
| N3 | C4 | N6 | H6 | 4.5° | 0.0° |
| O5 | C4 | N6 | C7 | 6.0° | 0.0° |
| O5 | C4 | N6 | H6 | 174.0° | 179.9° |
| O5 | C4 | N3 | H15 | 171.4° | 180.0° |
| C4 | N6 | C7 | H6 | 180.0° | 179.9° |
| C4 | N6 | C7 | S15 | 16.7° | 0.0° |
| C4 | N6 | C7 | N8 | 163.9° | 179.8° |
| N6 | C4 | N3 | H15 | 7.2° | 0.0° |
| N6 | C7 | S15 | N8 | 179.4° | 179.8° |
| N6 | C7 | S15 | C14 | 179.5° | 180.0° |
| N6 | C7 | N8 | C9 | 180.0° | 180.0° |
| S15 | C7 | N8 | C9 | 0.6° | 0.2° |
| C7 | S15 | C14 | C9 | 1.3° | 0.2° |
| C7 | S15 | C14 | N13 | 180.0° | 179.7° |
| S15 | C7 | N6 | H6 | 163.3° | 179.9° |
| N8 | C7 | S15 | C14 | 1.1° | 0.2° |
| C7 | N8 | C9 | C14 | 0.5° | 0.1° |
| C7 | N8 | C9 | C10 | 179.1° | 179.8° |
| N8 | C7 | N6 | H6 | 16.1° | 0.3° |
| S15 | C14 | C9 | N8 | 1.3° | 0.1° |
| S15 | C14 | C9 | N13 | 178.6° | 179.9° |
| S15 | C14 | C9 | C10 | 180.0° | 180.0° |
| S15 | C14 | N13 | C12 | 179.4° | 180.0° |
| N8 | C9 | C14 | C10 | 178.8° | 179.9° |
| N8 | C9 | C14 | N13 | 179.9° | 179.8° |
| N8 | C9 | C10 | C11 | 179.6° | 179.9° |
| N8 | C9 | C10 | H7 | 0.4° | 0.1° |
| C14 | C9 | C10 | C11 | 1.0° | 0.0° |
| C9 | C14 | N13 | C12 | 0.9° | 0.1° |
| C14 | C9 | C10 | H7 | 179.0° | 179.9° |
| C10 | C9 | C14 | N13 | 1.3° | 0.1° |
| C9 | C10 | C11 | H7 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C9 | C10 | C11 | C23 | 179.0° | 180.0° |
| C14 | N13 | C12 | C11 | 0.3° | 0.1° |
| C14 | N13 | C12 | O16 | 179.4° | 180.0° |
| C10 | C11 | C12 | N13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C23 | 178.5° | 180.0° |
| C10 | C11 | C12 | O16 | 179.2° | 180.0° |
| C10 | C11 | C23 | C24 | 131.6° | 50.0° |
| C10 | C11 | C23 | C28 | 48.4° | 129.9° |
| N13 | C12 | C11 | O16 | 179.1° | 180.0° |
| N13 | C12 | C11 | C23 | 178.6° | 180.0° |
| N13 | C12 | O16 | C17 | 7.6° | 0.0° |
| C11 | C12 | O16 | C17 | 173.2° | 180.0° |
| C12 | C11 | C23 | C24 | 50.0° | 129.9° |
| C12 | C11 | C23 | C28 | 130.1° | 50.1° |
| C12 | C11 | C10 | H7 | 179.5° | 179.9° |
| O16 | C12 | C11 | C23 | 2.3° | 0.0° |
| C12 | O16 | C17 | C18 | 175.8° | 180.0° |
| C12 | O16 | C17 | H16 | 56.7° | 60.0° |
| C12 | O16 | C17 | H17 | 65.0° | 60.0° |
| C11 | C23 | C24 | C28 | 180.0° | 180.0° |
| C11 | C23 | C24 | N25 | 180.0° | 180.0° |
| C11 | C23 | C28 | N27 | 179.8° | 179.4° |
| C23 | C11 | C10 | H7 | 1.0° | 0.1° |
| C11 | C23 | C24 | H14 | 0.0° | 0.3° |
| C11 | C23 | C28 | H20 | 0.2° | 0.1° |
| O16 | C17 | C18 | H16 | 119.2° | 120.0° |
| O16 | C17 | C18 | H17 | 119.2° | 120.0° |
| O16 | C17 | C18 | C22 | 117.4° | 66.4° |
| O16 | C17 | C18 | C19 | 129.9° | 179.2° |
| O16 | C17 | H16 | H17 | 122.5° | 120.0° |
| O16 | C17 | C18 | H18 | 5.4° | 57.2° |
| C23 | C24 | N25 | H14 | 180.0° | 179.7° |
| C24 | C23 | C28 | N27 | 0.2° | 0.6° |
| C23 | C24 | N25 | C26 | 0.0° | 0.3° |
| C24 | C23 | C28 | H20 | 179.8° | 180.0° |
| C28 | C23 | C24 | N25 | 0.0° | 0.0° |
| C23 | C28 | N27 | H20 | 180.0° | 179.4° |
| C23 | C28 | N27 | C26 | 0.4° | 0.9° |
| C28 | C23 | C24 | H14 | 180.0° | 179.7° |
| C17 | C18 | C22 | O21 | 76.9° | 155.2° |
| C17 | C18 | C22 | C19 | 119.0° | 118.4° |
| C17 | C18 | C22 | H18 | 122.5° | 123.6° |
| C17 | C18 | C19 | H18 | 124.4° | 123.6° |
| C17 | C18 | C19 | C20 | 82.6° | 139.1° |
| C17 | C18 | C19 | H8 | 36.2° | 102.1° |
| C17 | C18 | C19 | H9 | 158.6° | 20.4° |
| C17 | C18 | C22 | H12 | 42.2° | 86.2° |
| C17 | C18 | C22 | H13 | 164.1° | 36.8° |
| C18 | C17 | H16 | H17 | 122.4° | 120.0° |
| C24 | N25 | C26 | N27 | 0.2° | 0.1° |
| C24 | N25 | C26 | H19 | 179.8° | 180.0° |
| O21 | C22 | C18 | H12 | 119.1° | 118.5° |
| O21 | C22 | C18 | H13 | 119.0° | 118.4° |
| O21 | C22 | C18 | C19 | 42.1° | 36.8° |
| C22 | O21 | C20 | C19 | 11.0° | 26.5° |
| C22 | O21 | C20 | H10 | 108.7° | 92.9° |
| C22 | O21 | C20 | H11 | 130.6° | 145.9° |
| O21 | C22 | H12 | H13 | 122.8° | 123.0° |
| O21 | C22 | C18 | H18 | 160.6° | 81.2° |
| C18 | C22 | O21 | C20 | 33.1° | 40.0° |
| C22 | C18 | C19 | H18 | 118.7° | 118.1° |
| C22 | C18 | C19 | C20 | 34.3° | 20.8° |
| C22 | C18 | C19 | H8 | 153.2° | 139.6° |
| C22 | C18 | C19 | H9 | 84.5° | 97.9° |
| C18 | C22 | H12 | H13 | 122.8° | 122.9° |
| C22 | C18 | C17 | H16 | 1.8° | 53.5° |
| C22 | C18 | C17 | H17 | 123.4° | 173.6° |
| O21 | C20 | C19 | C18 | 15.2° | 2.2° |
| O21 | C20 | C19 | H10 | 119.7° | 119.4° |
| O21 | C20 | C19 | H11 | 119.7° | 119.5° |
| O21 | C20 | C19 | H8 | 134.0° | 116.7° |
| O21 | C20 | C19 | H9 | 103.6° | 120.8° |
| O21 | C20 | H10 | H11 | 120.9° | 121.2° |
| C20 | O21 | C22 | H12 | 152.1° | 158.6° |
| C20 | O21 | C22 | H13 | 86.0° | 78.4° |
| C28 | N27 | C26 | N25 | 0.4° | 0.6° |
| C28 | N27 | C26 | H19 | 179.6° | 179.3° |
| C18 | C19 | C20 | H8 | 118.8° | 118.8° |
| C18 | C19 | C20 | H9 | 118.8° | 118.7° |
| C18 | C19 | H8 | H9 | 123.4° | 122.5° |
| C18 | C19 | C20 | H10 | 134.9° | 117.3° |
| C18 | C19 | C20 | H11 | 104.4° | 121.7° |
| C19 | C18 | C22 | H12 | 161.2° | 155.4° |
| C19 | C18 | C22 | H13 | 76.9° | 81.6° |
| C19 | C18 | C17 | H16 | 110.9° | 59.3° |
| C19 | C18 | C17 | H17 | 10.7° | 60.7° |
| N25 | C26 | N27 | H19 | 180.0° | 179.9° |
| C26 | N25 | C24 | H14 | 180.0° | 180.0° |
| C20 | C19 | H8 | H9 | 123.4° | 122.5° |
| C19 | C20 | H10 | H11 | 120.9° | 121.0° |
| C20 | C19 | C18 | H18 | 153.0° | 97.3° |
| C26 | N27 | C28 | H20 | 179.6° | 179.8° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.0° | 60.0° |
| H1 | C1 | C2 | H5 | 60.0° | 60.0° |
| H2 | C1 | C2 | H4 | 60.0° | 60.1° |
| H2 | C1 | C2 | H5 | 179.9° | 180.0° |
| H3 | C1 | C2 | H4 | NaN° | 180.0° |
| H3 | C1 | C2 | H5 | 60.1° | 60.1° |
| H4 | C2 | N3 | H15 | 76.0° | 120.0° |
| H5 | C2 | N3 | H15 | 164.1° | 120.0° |
| H8 | C19 | C20 | H10 | 106.3° | 123.9° |
| H8 | C19 | C20 | H11 | 14.4° | 2.9° |
| H8 | C19 | C18 | H18 | 88.2° | 21.5° |
| H9 | C19 | C20 | H10 | 16.1° | 1.4° |
| H9 | C19 | C20 | H11 | 136.7° | 119.6° |
| H9 | C19 | C18 | H18 | 34.2° | 144.0° |
| H12 | C22 | C18 | H18 | 80.3° | 37.3° |
| H13 | C22 | C18 | H18 | 41.6° | 160.4° |
| H16 | C17 | C18 | H18 | 124.5° | 177.1° |
| H17 | C17 | C18 | H18 | 113.8° | 62.8° |
