GYL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F9 | C3 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| N21 | N20 | sing | 1.40Å | 1.19Å | Aromatic |
| N21 | C17 | sing | 1.35Å | 1.34Å | Aromatic |
| N15 | C17 | sing | 1.38Å | 1.35Å | |
| N15 | C8 | sing | 1.46Å | 1.37Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N20 | C19 | doub | 1.31Å | 1.34Å | Aromatic |
| C17 | N18 | doub | 1.31Å | 1.32Å | Aromatic |
| C2 | C8 | sing | 1.51Å | 1.43Å | |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | N18 | sing | 1.34Å | 1.34Å | Aromatic |
| C19 | C26 | sing | 1.48Å | 1.36Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C33 | sing | 1.51Å | 1.55Å | |
| N34 | C24 | sing | 1.40Å | 1.36Å | |
| N34 | C33 | sing | 1.35Å | 1.35Å | |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | O35 | doub | 1.21Å | 1.24Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | CL7 | sing | 1.74Å | 1.62Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C37 | H4 | sing | 1.09Å | 1.10Å | |
| C37 | H5 | sing | 1.09Å | 1.10Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C38 | H7 | sing | 1.09Å | 1.10Å | |
| C38 | H8 | sing | 1.09Å | 1.10Å | |
| N34 | H9 | sing | 0.97Å | 1.00Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| N21 | H14 | sing | 0.97Å | 1.00Å | |
| N15 | H16 | sing | 0.97Å | 1.00Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F9 | C3 | C4 | 120.0° | 120.0° |
| F9 | C3 | C2 | 119.6° | 120.0° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C3 | C4 | H1 | 119.5° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C5 | C4 | H1 | 119.5° | 120.0° |
| C4 | C5 | H2 | 120.3° | 120.0° |
| C3 | C2 | C8 | 121.9° | 120.0° |
| C3 | C2 | C1 | 117.1° | 119.9° |
| C37 | C38 | C33 | 109.3° | 109.5° |
| C38 | C37 | H4 | 109.5° | 109.6° |
| C38 | C37 | H5 | 109.4° | 109.5° |
| C38 | C37 | H6 | 109.4° | 109.4° |
| C37 | C38 | H7 | 109.5° | 109.5° |
| C37 | C38 | H8 | 109.5° | 109.4° |
| N20 | N21 | C17 | 111.0° | 106.5° |
| N21 | N20 | C19 | 109.0° | 106.9° |
| N20 | N21 | H14 | 124.5° | 126.8° |
| N21 | C17 | N15 | 126.0° | 126.0° |
| N21 | C17 | N18 | 107.0° | 108.1° |
| C17 | N21 | H14 | 124.5° | 126.7° |
| C17 | N15 | C8 | 123.8° | 120.0° |
| N15 | C17 | N18 | 126.9° | 125.9° |
| C17 | N15 | H16 | 105.8° | 120.0° |
| N15 | C8 | C2 | 121.1° | 109.4° |
| N15 | C8 | H15 | 106.5° | 109.5° |
| C8 | N15 | H16 | 105.8° | 120.1° |
| N15 | C8 | H17 | 106.5° | 109.5° |
| C5 | C6 | C1 | 119.4° | 120.0° |
| C6 | C5 | H2 | 120.3° | 120.0° |
| C5 | C6 | H3 | 120.3° | 120.0° |
| N20 | C19 | N18 | 107.4° | 108.9° |
| N20 | C19 | C26 | 127.3° | 125.6° |
| C17 | N18 | C19 | 105.6° | 109.6° |
| C8 | C2 | C1 | 120.9° | 120.0° |
| C2 | C8 | H15 | 106.5° | 109.5° |
| C2 | C8 | H17 | 106.5° | 109.4° |
| C2 | C1 | C6 | 122.7° | 120.0° |
| C2 | C1 | CL7 | 117.8° | 120.0° |
| N18 | C19 | C26 | 125.2° | 125.6° |
| C19 | C26 | C25 | 120.4° | 120.1° |
| C19 | C26 | C27 | 122.4° | 120.1° |
| C26 | C25 | C24 | 123.6° | 119.8° |
| C25 | C26 | C27 | 117.2° | 119.9° |
| C26 | C25 | H10 | 118.2° | 120.2° |
| C25 | C24 | N34 | 114.2° | 120.0° |
| C25 | C24 | C23 | 117.7° | 120.0° |
| C24 | C25 | H10 | 118.2° | 120.1° |
| C38 | C33 | N34 | 114.4° | 120.0° |
| C38 | C33 | O35 | 119.2° | 120.0° |
| C33 | C38 | H7 | 109.5° | 109.5° |
| C33 | C38 | H8 | 109.5° | 109.5° |
| C24 | N34 | C33 | 125.5° | 119.9° |
| N34 | C24 | C23 | 128.1° | 120.0° |
| C24 | N34 | H9 | 117.2° | 120.0° |
| N34 | C33 | O35 | 126.4° | 120.0° |
| C33 | N34 | H9 | 117.3° | 120.0° |
| C26 | C27 | C28 | 121.1° | 120.0° |
| C26 | C27 | H13 | 119.5° | 120.0° |
| C24 | C23 | C28 | 119.9° | 120.1° |
| C24 | C23 | H11 | 120.0° | 120.0° |
| C27 | C28 | C23 | 120.5° | 120.2° |
| C27 | C28 | H12 | 119.8° | 119.9° |
| C28 | C27 | H13 | 119.5° | 120.0° |
| C28 | C23 | H11 | 120.0° | 119.9° |
| C23 | C28 | H12 | 119.7° | 119.9° |
| C6 | C1 | CL7 | 119.5° | 120.0° |
| C1 | C6 | H3 | 120.3° | 120.0° |
| H4 | C37 | H5 | 109.5° | 109.5° |
| H4 | C37 | H6 | 109.5° | 109.5° |
| H5 | C37 | H6 | 109.5° | 109.4° |
| H7 | C38 | H8 | 109.5° | 109.4° |
| H15 | C8 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F9 | C3 | C4 | C2 | 179.6° | 179.9° |
| F9 | C3 | C4 | C5 | 179.5° | 180.0° |
| F9 | C3 | C2 | C8 | 0.8° | 0.0° |
| F9 | C3 | C2 | C1 | 179.6° | 180.0° |
| F9 | C3 | C4 | H1 | 0.4° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C3 | C2 | C8 | 179.6° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H2 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.3° | 0.7° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| C3 | C2 | C8 | N15 | 101.2° | 90.0° |
| C3 | C2 | C8 | C1 | 179.6° | 180.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.3° |
| C3 | C2 | C1 | CL7 | 179.7° | 180.0° |
| C2 | C3 | C4 | H1 | 179.9° | 180.0° |
| C3 | C2 | C8 | H15 | 137.1° | 30.0° |
| C3 | C2 | C8 | H17 | 20.4° | 150.0° |
| C37 | C38 | C33 | H7 | 120.0° | 120.0° |
| C37 | C38 | C33 | H8 | 120.0° | 120.0° |
| C37 | C38 | C33 | N34 | 124.7° | 180.0° |
| C37 | C38 | C33 | O35 | 51.6° | 0.0° |
| C38 | C37 | H4 | H5 | 120.0° | 120.1° |
| C38 | C37 | H4 | H6 | 120.0° | 120.0° |
| C38 | C37 | H5 | H6 | 120.0° | 119.9° |
| C37 | C38 | H7 | H8 | 120.1° | 119.9° |
| N20 | N21 | C17 | H14 | 180.0° | 179.8° |
| N20 | N21 | C17 | N15 | 179.6° | 180.0° |
| N20 | N21 | C17 | N18 | 0.3° | 0.4° |
| N21 | N20 | C19 | N18 | 0.5° | 0.0° |
| N21 | N20 | C19 | C26 | 178.5° | 179.7° |
| N21 | C17 | N15 | N18 | 179.1° | 179.6° |
| N21 | C17 | N15 | C8 | 169.6° | 0.0° |
| C17 | N21 | N20 | C19 | 0.2° | 0.2° |
| N21 | C17 | N18 | C19 | 0.6° | 0.4° |
| N21 | C17 | N15 | H16 | 68.5° | 179.9° |
| C17 | N15 | C8 | H16 | 121.9° | 179.9° |
| C17 | N15 | C8 | C2 | 179.5° | 180.0° |
| N15 | C17 | N18 | C19 | 179.9° | 179.9° |
| C17 | N15 | C8 | H15 | 58.8° | 60.0° |
| N15 | C17 | N21 | H14 | 0.4° | 0.2° |
| C17 | N15 | C8 | H17 | 57.9° | 60.0° |
| C8 | N15 | C17 | N18 | 11.2° | 179.6° |
| N15 | C8 | C2 | H15 | 121.6° | 120.0° |
| N15 | C8 | C2 | H17 | 121.6° | 120.0° |
| N15 | C8 | C2 | C1 | 79.2° | 90.0° |
| N15 | C8 | H15 | H17 | 114.7° | 120.0° |
| C5 | C6 | C1 | C2 | 0.5° | 0.6° |
| C5 | C6 | C1 | H3 | 180.0° | 179.3° |
| C5 | C6 | C1 | CL7 | 179.5° | 179.7° |
| C6 | C5 | C4 | H1 | 179.9° | 179.7° |
| N20 | C19 | N18 | C17 | 0.7° | 0.3° |
| N20 | C19 | N18 | C26 | 178.0° | 179.7° |
| N20 | C19 | C26 | C25 | 159.8° | 0.4° |
| N20 | C19 | C26 | C27 | 18.0° | 179.7° |
| C19 | N20 | N21 | H14 | 179.8° | 180.0° |
| C17 | N18 | C19 | C26 | 178.7° | 180.0° |
| N18 | C17 | N21 | H14 | 179.7° | 179.9° |
| N18 | C17 | N15 | H16 | 110.7° | 0.5° |
| C8 | C2 | C1 | C6 | 179.9° | 179.7° |
| C8 | C2 | C1 | CL7 | 0.1° | 0.1° |
| C2 | C8 | H15 | H17 | 114.7° | 120.0° |
| C2 | C8 | N15 | H16 | 57.6° | 0.1° |
| C2 | C1 | C6 | CL7 | 180.0° | 179.7° |
| C2 | C1 | C6 | H3 | 179.5° | 180.0° |
| C1 | C2 | C8 | H15 | 42.4° | 150.0° |
| C1 | C2 | C8 | H17 | 159.2° | 30.0° |
| N18 | C19 | C26 | C25 | 17.8° | 180.0° |
| N18 | C19 | C26 | C27 | 164.4° | 0.1° |
| C19 | C26 | C25 | C27 | 177.9° | 180.0° |
| C19 | C26 | C25 | C24 | 179.4° | 180.0° |
| C19 | C26 | C27 | C28 | 178.6° | 179.8° |
| C19 | C26 | C25 | H10 | 0.6° | 0.0° |
| C19 | C26 | C27 | H13 | 1.4° | 0.1° |
| C26 | C25 | C24 | H10 | 180.0° | 180.0° |
| C26 | C25 | C24 | N34 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.4° | 0.3° |
| C25 | C26 | C27 | C28 | 0.7° | 0.2° |
| C25 | C26 | C27 | H13 | 179.3° | 180.0° |
| C25 | C24 | N34 | C23 | 178.4° | 179.7° |
| C25 | C24 | N34 | C33 | 171.4° | 35.4° |
| C24 | C25 | C26 | C27 | 1.5° | 0.0° |
| C25 | C24 | C23 | C28 | 0.5° | 0.3° |
| C25 | C24 | N34 | H9 | 8.6° | 144.7° |
| C25 | C24 | C23 | H11 | 179.5° | 179.7° |
| C38 | C33 | N34 | C24 | 178.3° | 175.4° |
| C38 | C33 | N34 | O35 | 176.1° | 179.9° |
| C33 | C38 | C37 | H4 | 180.0° | 180.0° |
| C33 | C38 | C37 | H5 | 60.0° | 60.0° |
| C33 | C38 | C37 | H6 | 60.0° | 60.0° |
| C33 | C38 | H7 | H8 | 120.1° | 120.0° |
| C38 | C33 | N34 | H9 | 1.7° | 4.6° |
| C24 | N34 | C33 | H9 | 180.0° | 180.0° |
| C24 | N34 | C33 | O35 | 2.3° | 4.7° |
| N34 | C24 | C23 | C28 | 178.9° | 180.0° |
| N34 | C24 | C25 | H10 | 0.0° | 0.0° |
| N34 | C24 | C23 | H11 | 1.1° | 0.0° |
| C33 | N34 | C24 | C23 | 10.1° | 144.9° |
| N34 | C33 | C38 | H7 | 115.3° | 59.9° |
| N34 | C33 | C38 | H8 | 4.8° | 60.0° |
| C26 | C27 | C28 | H13 | 180.0° | 179.9° |
| C26 | C27 | C28 | C23 | 0.1° | 0.1° |
| C27 | C26 | C25 | H10 | 178.5° | 180.0° |
| C26 | C27 | C28 | H12 | 179.9° | 179.7° |
| C24 | C23 | C28 | C27 | 0.2° | 0.1° |
| C24 | C23 | C28 | H11 | 180.0° | 180.0° |
| C23 | C24 | N34 | H9 | 169.8° | 35.0° |
| C23 | C24 | C25 | H10 | 178.6° | 179.7° |
| C24 | C23 | C28 | H12 | 179.8° | 180.0° |
| O35 | C33 | C38 | H7 | 68.3° | 120.0° |
| O35 | C33 | C38 | H8 | 171.6° | 120.0° |
| O35 | C33 | N34 | H9 | 177.7° | 175.3° |
| C27 | C28 | C23 | H12 | 180.0° | 179.8° |
| C27 | C28 | C23 | H11 | 179.8° | 179.9° |
| C23 | C28 | C27 | H13 | 179.9° | 180.0° |
| C1 | C6 | C5 | H2 | 179.6° | 179.7° |
| CL7 | C1 | C6 | H3 | 0.5° | 0.4° |
| H1 | C4 | C5 | H2 | 0.1° | 0.0° |
| H2 | C5 | C6 | H3 | 0.4° | 0.3° |
| H4 | C37 | H5 | H6 | 120.0° | 119.9° |
| H4 | C37 | C38 | H7 | 60.0° | 60.0° |
| H4 | C37 | C38 | H8 | 60.0° | 59.9° |
| H5 | C37 | C38 | H7 | 60.0° | 60.1° |
| H5 | C37 | C38 | H8 | 180.0° | 180.0° |
| H6 | C37 | C38 | H7 | 180.0° | 180.0° |
| H6 | C37 | C38 | H8 | 60.0° | 60.1° |
| H11 | C23 | C28 | H12 | 0.2° | 0.1° |
| H12 | C28 | C27 | H13 | 0.1° | 0.1° |
| H15 | C8 | N15 | H16 | 179.2° | 119.9° |
| H16 | N15 | C8 | H17 | 64.0° | 120.0° |
