SYL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | O | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C8 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.37Å | |
| C9 | O1 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | C | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 120.6° | 120.1° |
| C6 | C5 | C4 | 120.8° | 120.1° |
| C5 | C6 | H14 | 119.7° | 120.0° |
| C6 | C5 | H15 | 119.6° | 119.9° |
| C6 | C7 | C8 | 119.1° | 119.9° |
| C6 | C7 | H13 | 120.5° | 120.0° |
| C7 | C6 | H14 | 119.7° | 120.0° |
| C5 | C4 | C3 | 119.8° | 119.9° |
| C5 | C4 | C16 | 118.8° | 120.0° |
| C4 | C5 | H15 | 119.6° | 120.0° |
| C7 | C8 | C16 | 120.5° | 119.9° |
| C7 | C8 | O1 | 119.3° | 120.0° |
| C8 | C7 | H13 | 120.5° | 120.1° |
| C3 | C4 | C16 | 121.4° | 120.0° |
| C4 | C3 | O | 112.6° | 109.5° |
| C4 | C3 | C2 | 113.9° | 109.5° |
| C4 | C3 | H2 | 106.3° | 109.5° |
| C4 | C16 | C8 | 120.2° | 120.0° |
| C4 | C16 | H12 | 119.9° | 120.0° |
| O | C3 | C2 | 109.8° | 109.5° |
| C3 | O | H1 | 109.5° | 114.0° |
| O | C3 | H2 | 107.5° | 109.4° |
| C3 | C2 | C1 | 113.5° | 109.5° |
| C2 | C3 | H2 | 106.2° | 109.5° |
| C3 | C2 | H3 | 108.5° | 109.5° |
| C3 | C2 | H4 | 108.5° | 109.4° |
| C16 | C8 | O1 | 120.1° | 120.1° |
| C8 | C16 | H12 | 119.9° | 120.0° |
| C8 | O1 | C9 | 116.4° | 117.0° |
| O1 | C9 | C10 | 109.4° | 109.5° |
| O1 | C9 | H16 | 109.5° | 109.5° |
| O1 | C9 | H17 | 109.5° | 109.5° |
| C9 | C10 | C11 | 109.7° | 109.5° |
| C9 | C10 | C15 | 111.0° | 109.5° |
| C10 | C9 | H16 | 109.5° | 109.5° |
| C10 | C9 | H17 | 109.5° | 109.5° |
| C9 | C10 | H18 | 109.0° | 109.4° |
| C2 | C1 | N | 114.0° | 109.5° |
| C1 | C2 | H3 | 108.4° | 109.5° |
| C1 | C2 | H4 | 108.5° | 109.5° |
| C2 | C1 | H5 | 108.3° | 109.5° |
| C2 | C1 | H6 | 108.3° | 109.5° |
| C1 | N | C | 111.1° | 111.0° |
| N | C1 | H5 | 108.3° | 109.4° |
| N | C1 | H6 | 108.3° | 109.5° |
| C1 | N | H7 | 109.1° | 111.0° |
| C | N | H7 | 109.0° | 111.0° |
| N | C | H9 | 109.5° | 109.5° |
| N | C | H10 | 109.5° | 109.5° |
| N | C | H11 | 109.4° | 109.5° |
| C10 | C11 | C12 | 112.6° | 109.5° |
| C11 | C10 | C15 | 109.7° | 109.5° |
| C11 | C10 | H18 | 108.7° | 109.5° |
| C10 | C11 | H27 | 108.7° | 109.4° |
| C10 | C11 | H28 | 108.7° | 109.5° |
| C11 | C12 | C13 | 111.1° | 109.5° |
| C11 | C12 | H25 | 109.1° | 109.5° |
| C11 | C12 | H26 | 109.1° | 109.5° |
| C12 | C11 | H27 | 108.7° | 109.5° |
| C12 | C11 | H28 | 108.7° | 109.5° |
| C10 | C15 | C14 | 112.0° | 109.5° |
| C15 | C10 | H18 | 108.8° | 109.5° |
| C10 | C15 | H19 | 108.8° | 109.5° |
| C10 | C15 | H20 | 108.8° | 109.5° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H23 | 109.1° | 109.4° |
| C12 | C13 | H24 | 109.1° | 109.5° |
| C13 | C12 | H25 | 109.1° | 109.5° |
| C13 | C12 | H26 | 109.0° | 109.4° |
| C15 | C14 | C13 | 111.6° | 109.5° |
| C14 | C15 | H19 | 108.9° | 109.4° |
| C14 | C15 | H20 | 108.8° | 109.5° |
| C15 | C14 | H21 | 109.0° | 109.5° |
| C15 | C14 | H22 | 108.9° | 109.4° |
| C13 | C14 | H21 | 108.9° | 109.5° |
| C13 | C14 | H22 | 108.9° | 109.5° |
| C14 | C13 | H23 | 109.1° | 109.5° |
| C14 | C13 | H24 | 109.1° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.4° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.4° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.4° |
| H27 | C11 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H14 | 180.0° | 179.5° |
| C6 | C5 | C4 | H15 | 180.0° | 179.5° |
| C5 | C6 | C7 | C8 | 0.3° | 0.2° |
| C6 | C5 | C4 | C3 | 177.4° | 179.8° |
| C6 | C5 | C4 | C16 | 1.1° | 0.5° |
| C5 | C6 | C7 | H13 | 179.7° | 179.8° |
| C7 | C6 | C5 | C4 | 0.8° | 0.5° |
| C6 | C7 | C8 | H13 | 180.0° | 180.0° |
| C6 | C7 | C8 | C16 | 1.1° | 0.0° |
| C6 | C7 | C8 | O1 | 175.7° | 180.0° |
| C7 | C6 | C5 | H15 | 179.1° | 180.0° |
| C5 | C4 | C3 | C16 | 178.4° | 179.7° |
| C5 | C4 | C3 | O | 113.3° | 39.7° |
| C5 | C4 | C3 | C2 | 120.8° | 80.3° |
| C5 | C4 | C16 | C8 | 0.2° | 0.3° |
| C5 | C4 | C3 | H2 | 4.2° | 159.7° |
| C5 | C4 | C16 | H12 | 179.8° | 179.7° |
| C4 | C5 | C6 | H14 | 179.2° | 180.0° |
| C7 | C8 | C16 | C4 | 0.9° | 0.0° |
| C7 | C8 | C16 | O1 | 176.8° | 180.0° |
| C7 | C8 | O1 | C9 | 61.0° | 0.0° |
| C7 | C8 | C16 | H12 | 179.1° | 180.0° |
| C8 | C7 | C6 | H14 | 179.7° | 179.8° |
| C4 | C3 | O | C2 | 128.1° | 120.1° |
| C4 | C3 | O | H2 | 116.8° | 120.0° |
| C4 | C3 | C2 | H2 | 116.7° | 120.0° |
| C3 | C4 | C16 | C8 | 178.2° | 180.0° |
| C4 | C3 | C2 | C1 | 147.3° | 175.0° |
| C4 | C3 | O | H1 | 180.0° | 60.1° |
| C4 | C3 | C2 | H3 | 92.2° | 55.0° |
| C4 | C3 | C2 | H4 | 26.7° | 65.0° |
| C3 | C4 | C16 | H12 | 1.8° | 0.0° |
| C3 | C4 | C5 | H15 | 2.6° | 0.3° |
| C16 | C4 | C3 | O | 68.3° | 140.0° |
| C16 | C4 | C3 | C2 | 57.6° | 100.0° |
| C4 | C16 | C8 | H12 | 180.0° | 180.0° |
| C4 | C16 | C8 | O1 | 175.9° | 180.0° |
| C16 | C4 | C3 | H2 | 174.2° | 20.0° |
| C16 | C4 | C5 | H15 | 178.9° | 180.0° |
| O | C3 | C2 | H2 | 115.9° | 119.9° |
| O | C3 | C2 | C1 | 19.9° | 65.0° |
| O | C3 | C2 | H3 | 140.5° | 175.0° |
| O | C3 | C2 | H4 | 100.7° | 55.1° |
| C3 | C2 | C1 | H3 | 120.6° | 120.0° |
| C3 | C2 | C1 | H4 | 120.6° | 120.0° |
| C3 | C2 | C1 | N | 39.7° | 180.0° |
| C2 | C3 | O | H1 | 51.9° | 60.0° |
| C3 | C2 | H3 | H4 | 118.2° | 120.0° |
| C3 | C2 | C1 | H5 | 160.4° | 60.0° |
| C3 | C2 | C1 | H6 | 81.0° | 60.0° |
| C16 | C8 | O1 | C9 | 115.8° | 180.0° |
| C16 | C8 | C7 | H13 | 178.9° | 180.0° |
| C8 | O1 | C9 | C10 | 168.1° | 180.0° |
| O1 | C8 | C16 | H12 | 4.1° | 0.0° |
| O1 | C8 | C7 | H13 | 4.3° | 0.0° |
| C8 | O1 | C9 | H16 | 48.2° | 60.0° |
| C8 | O1 | C9 | H17 | 71.9° | 60.0° |
| O1 | C9 | C10 | H16 | 120.0° | 120.0° |
| O1 | C9 | C10 | H17 | 120.0° | 120.0° |
| O1 | C9 | C10 | C11 | 172.4° | 65.0° |
| O1 | C9 | C10 | C15 | 66.3° | 175.0° |
| O1 | C9 | H16 | H17 | 120.0° | 120.0° |
| O1 | C9 | C10 | H18 | 53.5° | 55.0° |
| C9 | C10 | C11 | C15 | 122.1° | 120.0° |
| C9 | C10 | C11 | H18 | 119.1° | 119.9° |
| C9 | C10 | C11 | C12 | 176.5° | 180.0° |
| C9 | C10 | C15 | H18 | 119.9° | 119.9° |
| C9 | C10 | C15 | C14 | 175.4° | 180.0° |
| C10 | C9 | H16 | H17 | 120.0° | 120.0° |
| C9 | C10 | C15 | H19 | 55.0° | 60.0° |
| C9 | C10 | C15 | H20 | 64.2° | 59.9° |
| C9 | C10 | C11 | H27 | 63.0° | 60.0° |
| C9 | C10 | C11 | H28 | 56.1° | 60.0° |
| C2 | C1 | N | H5 | 120.7° | 120.0° |
| C2 | C1 | N | H6 | 120.7° | 120.0° |
| C2 | C1 | N | C | 165.7° | 180.0° |
| C1 | C2 | C3 | H2 | 96.0° | 55.0° |
| C1 | C2 | H3 | H4 | 118.2° | 120.0° |
| C2 | C1 | H5 | H6 | 117.9° | 120.0° |
| C2 | C1 | N | H7 | 74.1° | 56.0° |
| C1 | N | C | H7 | 120.2° | 124.0° |
| N | C1 | C2 | H3 | 80.9° | 60.0° |
| N | C1 | C2 | H4 | 160.3° | 60.0° |
| N | C1 | H5 | H6 | 117.9° | 120.0° |
| C1 | N | C | H9 | 180.0° | 60.0° |
| C1 | N | C | H10 | 60.0° | 180.0° |
| C1 | N | C | H11 | 60.0° | 60.0° |
| C | N | C1 | H5 | 45.0° | 60.0° |
| C | N | C1 | H6 | 73.6° | 60.0° |
| N | C | H9 | H10 | 120.0° | 120.1° |
| N | C | H9 | H11 | 120.0° | 120.0° |
| N | C | H10 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H27 | 120.5° | 120.0° |
| C10 | C11 | C12 | H28 | 120.5° | 120.0° |
| C11 | C10 | C15 | H18 | 118.8° | 120.0° |
| C10 | C11 | C12 | C13 | 55.8° | 60.0° |
| C11 | C10 | C15 | C14 | 54.1° | 60.0° |
| C11 | C10 | C9 | H16 | 52.4° | 55.0° |
| C11 | C10 | C9 | H17 | 67.7° | 175.0° |
| C11 | C10 | C15 | H19 | 66.3° | 60.0° |
| C11 | C10 | C15 | H20 | 174.5° | 180.0° |
| C10 | C11 | C12 | H25 | 64.4° | 179.9° |
| C10 | C11 | C12 | H26 | 176.1° | 60.0° |
| C10 | C11 | H27 | H28 | 118.5° | 120.0° |
| C12 | C11 | C10 | C15 | 54.4° | 60.0° |
| C11 | C12 | C13 | H25 | 120.3° | 120.0° |
| C11 | C12 | C13 | H26 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 55.4° | 60.0° |
| C12 | C11 | C10 | H18 | 64.4° | 60.0° |
| C11 | C12 | C13 | H23 | 175.6° | 60.0° |
| C11 | C12 | C13 | H24 | 64.7° | 180.0° |
| C11 | C12 | H25 | H26 | 119.3° | 120.0° |
| C12 | C11 | H27 | H28 | 118.6° | 120.0° |
| C10 | C15 | C14 | H19 | 120.4° | 120.0° |
| C10 | C15 | C14 | H20 | 120.4° | 120.1° |
| C10 | C15 | C14 | C13 | 55.7° | 60.0° |
| C15 | C10 | C9 | H16 | 173.7° | 65.0° |
| C15 | C10 | C9 | H17 | 53.7° | 55.0° |
| C10 | C15 | H19 | H20 | 118.8° | 120.0° |
| C10 | C15 | C14 | H21 | 176.0° | 180.0° |
| C10 | C15 | C14 | H22 | 64.6° | 60.0° |
| C15 | C10 | C11 | H27 | 174.9° | 180.0° |
| C15 | C10 | C11 | H28 | 66.1° | 60.0° |
| C12 | C13 | C14 | C15 | 55.7° | 60.0° |
| C12 | C13 | C14 | H23 | 120.2° | 120.0° |
| C12 | C13 | C14 | H24 | 120.2° | 120.0° |
| C12 | C13 | C14 | H21 | 176.1° | 180.0° |
| C12 | C13 | C14 | H22 | 64.6° | 60.0° |
| C12 | C13 | H23 | H24 | 119.4° | 120.0° |
| C13 | C12 | H25 | H26 | 119.2° | 119.9° |
| C13 | C12 | C11 | H27 | 176.3° | 180.0° |
| C13 | C12 | C11 | H28 | 64.6° | 60.0° |
| C15 | C14 | C13 | H21 | 120.3° | 120.0° |
| C15 | C14 | C13 | H22 | 120.3° | 119.9° |
| C14 | C15 | C10 | H18 | 64.7° | 60.1° |
| C14 | C15 | H19 | H20 | 118.8° | 120.0° |
| C15 | C14 | H21 | H22 | 119.1° | 119.9° |
| C15 | C14 | C13 | H23 | 175.9° | 60.0° |
| C15 | C14 | C13 | H24 | 64.4° | 180.0° |
| C13 | C14 | C15 | H19 | 64.7° | 60.0° |
| C13 | C14 | C15 | H20 | 176.1° | 179.9° |
| C13 | C14 | H21 | H22 | 119.0° | 120.0° |
| C14 | C13 | H23 | H24 | 119.4° | 120.0° |
| C14 | C13 | C12 | H25 | 64.8° | 180.0° |
| C14 | C13 | C12 | H26 | 175.7° | 60.0° |
| H1 | O | C3 | H2 | 63.2° | 179.9° |
| H2 | C3 | C2 | H3 | 24.5° | 65.0° |
| H2 | C3 | C2 | H4 | 143.4° | 175.0° |
| H3 | C2 | C1 | H5 | 39.8° | 180.0° |
| H3 | C2 | C1 | H6 | 158.4° | 60.0° |
| H4 | C2 | C1 | H5 | 79.0° | 60.0° |
| H4 | C2 | C1 | H6 | 39.6° | 180.0° |
| H5 | C1 | N | H7 | 165.2° | 176.0° |
| H6 | C1 | N | H7 | 46.6° | 64.0° |
| H7 | N | C | H9 | 59.8° | 64.0° |
| H7 | N | C | H10 | 179.8° | 56.0° |
| H7 | N | C | H11 | 60.2° | 176.0° |
| H9 | C | H10 | H11 | 120.0° | 119.9° |
| H13 | C7 | C6 | H14 | 0.3° | 0.2° |
| H14 | C6 | C5 | H15 | 0.8° | 0.5° |
| H16 | C9 | C10 | H18 | 66.5° | 175.0° |
| H17 | C9 | C10 | H18 | 173.4° | 65.0° |
| H18 | C10 | C15 | H19 | 174.9° | 180.0° |
| H18 | C10 | C15 | H20 | 55.7° | 60.0° |
| H18 | C10 | C11 | H27 | 56.1° | 60.0° |
| H18 | C10 | C11 | H28 | 175.1° | 179.9° |
| H19 | C15 | C14 | H21 | 55.6° | 60.0° |
| H19 | C15 | C14 | H22 | 175.0° | 180.0° |
| H20 | C15 | C14 | H21 | 63.6° | 59.9° |
| H20 | C15 | C14 | H22 | 55.8° | 60.1° |
| H21 | C14 | C13 | H23 | 63.8° | 60.0° |
| H21 | C14 | C13 | H24 | 55.9° | 60.0° |
| H22 | C14 | C13 | H23 | 55.6° | 179.9° |
| H22 | C14 | C13 | H24 | 175.3° | 60.0° |
| H23 | C13 | C12 | H25 | 55.4° | 60.0° |
| H23 | C13 | C12 | H26 | 64.1° | 180.0° |
| H24 | C13 | C12 | H25 | 175.0° | 60.0° |
| H24 | C13 | C12 | H26 | 55.5° | 60.0° |
| H25 | C12 | C11 | H27 | 56.1° | 60.0° |
| H25 | C12 | C11 | H28 | 175.1° | 60.0° |
| H26 | C12 | C11 | H27 | 63.4° | 60.0° |
| H26 | C12 | C11 | H28 | 55.6° | 180.0° |
