GYZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C3 | sing | 1.43Å | 1.42Å | |
| O9 | C4 | sing | 1.43Å | 1.42Å | |
| O6 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | N12 | doub | 1.29Å | 1.28Å | |
| C1 | O11 | sing | 1.36Å | 1.45Å | |
| C10 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O11 | sing | 1.43Å | 1.43Å | |
| N12 | O14 | sing | 1.22Å | 1.28Å | |
| O14 | C15 | sing | 1.35Å | 1.49Å | |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| C15 | N17 | sing | 1.35Å | 1.35Å | |
| N17 | C18 | sing | 1.40Å | 1.38Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| O8 | H9 | sing | 0.97Å | 0.95Å | |
| O9 | H10 | sing | 0.97Å | 0.95Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C3 | C2 | 105.1° | 109.6° |
| O8 | C3 | C4 | 114.7° | 109.5° |
| O8 | C3 | H7 | 110.4° | 109.7° |
| C3 | O8 | H9 | 109.5° | 114.0° |
| O9 | C4 | C3 | 112.6° | 109.5° |
| O9 | C4 | C5 | 105.5° | 109.5° |
| O9 | C4 | H6 | 109.7° | 109.5° |
| C4 | O9 | H10 | 109.5° | 114.1° |
| O6 | C2 | C3 | 114.8° | 109.7° |
| O6 | C2 | C1 | 112.6° | 109.7° |
| O6 | C2 | H1 | 108.7° | 109.8° |
| C2 | O6 | H8 | 109.5° | 114.0° |
| C3 | C2 | C1 | 105.4° | 108.3° |
| C2 | C3 | C4 | 108.9° | 108.9° |
| C3 | C2 | H1 | 107.3° | 109.7° |
| C2 | C3 | H7 | 108.9° | 109.6° |
| C2 | C1 | N12 | 120.7° | 121.0° |
| C2 | C1 | O11 | 117.9° | 118.1° |
| C1 | C2 | H1 | 107.6° | 109.7° |
| C3 | C4 | C5 | 112.7° | 109.4° |
| C3 | C4 | H6 | 108.1° | 109.5° |
| C4 | C3 | H7 | 108.8° | 109.6° |
| C4 | C5 | C10 | 118.2° | 109.5° |
| C4 | C5 | O11 | 112.3° | 109.3° |
| C4 | C5 | H5 | 104.2° | 109.6° |
| C5 | C4 | H6 | 108.0° | 109.5° |
| N12 | C1 | O11 | 121.4° | 121.0° |
| C1 | N12 | O14 | 122.5° | 120.0° |
| C1 | O11 | C5 | 126.5° | 115.7° |
| C10 | C5 | O11 | 111.0° | 109.5° |
| C5 | C10 | H2 | 109.5° | 109.5° |
| C5 | C10 | H3 | 109.5° | 109.5° |
| C5 | C10 | H4 | 109.4° | 109.4° |
| C10 | C5 | H5 | 104.5° | 109.5° |
| O11 | C5 | H5 | 105.3° | 109.5° |
| N12 | O14 | C15 | 124.8° | 117.0° |
| O14 | C15 | O16 | 119.6° | 120.0° |
| O14 | C15 | N17 | 117.6° | 120.0° |
| O16 | C15 | N17 | 122.8° | 120.0° |
| C15 | N17 | C18 | 129.1° | 120.0° |
| C15 | N17 | H11 | 115.4° | 120.0° |
| N17 | C18 | C19 | 125.2° | 120.1° |
| N17 | C18 | C23 | 117.3° | 120.1° |
| C18 | N17 | H11 | 115.5° | 120.0° |
| C19 | C18 | C23 | 117.4° | 119.8° |
| C18 | C19 | C20 | 120.7° | 119.9° |
| C18 | C19 | H12 | 119.6° | 120.0° |
| C18 | C23 | C22 | 121.6° | 120.0° |
| C18 | C23 | H16 | 119.2° | 120.0° |
| C19 | C20 | C21 | 120.9° | 120.1° |
| C20 | C19 | H12 | 119.7° | 120.1° |
| C19 | C20 | H13 | 119.6° | 119.9° |
| C23 | C22 | C21 | 120.1° | 120.1° |
| C23 | C22 | H15 | 120.0° | 120.0° |
| C22 | C23 | H16 | 119.2° | 120.0° |
| C20 | C21 | C22 | 119.3° | 120.1° |
| C21 | C20 | H13 | 119.5° | 120.0° |
| C20 | C21 | H14 | 120.4° | 119.9° |
| C22 | C21 | H14 | 120.3° | 120.0° |
| C21 | C22 | H15 | 120.0° | 119.9° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C3 | C4 | O9 | 60.3° | 59.6° |
| O8 | C3 | C2 | O6 | 46.5° | 68.4° |
| O8 | C3 | C2 | C4 | 123.3° | 119.8° |
| O8 | C3 | C2 | H7 | 118.3° | 120.4° |
| O8 | C3 | C2 | C1 | 171.1° | 171.9° |
| O8 | C3 | C4 | H7 | 124.1° | 120.4° |
| O8 | C3 | C4 | C5 | 179.5° | 179.6° |
| O8 | C3 | C2 | H1 | 74.5° | 52.2° |
| O8 | C3 | C4 | H6 | 61.1° | 60.5° |
| O9 | C4 | C3 | C2 | 57.1° | 60.2° |
| O9 | C4 | C3 | C5 | 119.2° | 120.0° |
| O9 | C4 | C3 | H6 | 121.4° | 120.1° |
| O9 | C4 | C5 | H6 | 117.3° | 120.0° |
| O9 | C4 | C5 | C10 | 34.1° | 58.5° |
| O9 | C4 | C5 | O11 | 97.2° | 61.4° |
| O9 | C4 | C5 | H5 | 149.4° | 178.6° |
| O9 | C4 | C3 | H7 | 175.6° | 180.0° |
| O6 | C2 | C3 | C1 | 124.5° | 119.7° |
| O6 | C2 | C3 | H1 | 121.0° | 120.6° |
| O6 | C2 | C1 | H1 | 119.8° | 120.7° |
| O6 | C2 | C3 | C4 | 169.8° | 171.8° |
| O6 | C2 | C1 | N12 | 16.4° | 11.5° |
| O6 | C2 | C1 | O11 | 164.3° | 168.4° |
| O6 | C2 | C3 | H7 | 71.7° | 52.0° |
| C3 | C2 | C1 | H1 | 114.3° | 119.7° |
| C2 | C3 | C4 | H7 | 118.5° | 119.9° |
| C2 | C3 | C4 | C5 | 62.2° | 59.8° |
| C3 | C2 | C1 | N12 | 142.3° | 131.2° |
| C3 | C2 | C1 | O11 | 38.4° | 48.8° |
| C2 | C3 | C4 | H6 | 178.5° | 179.7° |
| C3 | C2 | O6 | H8 | 180.0° | 180.0° |
| C2 | C3 | O8 | H9 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 65.6° | 52.1° |
| C2 | C1 | N12 | O11 | 179.3° | 180.0° |
| C2 | C1 | O11 | C5 | 5.2° | 50.9° |
| C2 | C1 | N12 | O14 | 179.7° | 180.0° |
| C1 | C2 | C3 | H7 | 52.8° | 67.7° |
| C1 | C2 | O6 | H8 | 59.4° | 61.2° |
| C3 | C4 | C5 | H6 | 119.4° | 119.9° |
| C3 | C4 | C5 | C10 | 157.4° | 178.5° |
| C3 | C4 | C5 | O11 | 26.1° | 58.6° |
| C4 | C3 | C2 | H1 | 48.8° | 67.6° |
| C3 | C4 | C5 | H5 | 87.3° | 61.4° |
| C4 | C3 | O8 | H9 | 60.5° | 179.4° |
| C3 | C4 | O9 | H10 | 180.0° | 180.0° |
| C4 | C5 | O11 | C1 | 2.0° | 53.8° |
| C4 | C5 | C10 | O11 | 131.8° | 119.8° |
| C4 | C5 | C10 | H5 | 115.2° | 120.1° |
| C4 | C5 | O11 | H5 | 112.7° | 120.0° |
| C4 | C5 | C10 | H2 | 180.0° | 59.8° |
| C4 | C5 | C10 | H3 | 60.0° | 60.3° |
| C4 | C5 | C10 | H4 | 60.0° | 179.8° |
| C5 | C4 | C3 | H7 | 56.4° | 60.1° |
| C5 | C4 | O9 | H10 | 56.6° | 60.1° |
| N12 | C1 | O11 | C5 | 175.5° | 129.0° |
| C1 | N12 | O14 | C15 | 136.8° | 180.0° |
| N12 | C1 | C2 | H1 | 103.4° | 109.2° |
| C1 | O11 | C5 | C10 | 132.8° | 173.7° |
| O11 | C1 | N12 | O14 | 1.0° | 0.1° |
| O11 | C1 | C2 | H1 | 75.9° | 70.9° |
| C1 | O11 | C5 | H5 | 114.7° | 66.2° |
| C10 | C5 | O11 | H5 | 112.5° | 120.1° |
| C5 | C10 | H2 | H3 | 120.0° | 120.0° |
| C5 | C10 | H2 | H4 | 120.0° | 120.0° |
| C5 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C5 | C4 | H6 | 83.2° | 61.5° |
| O11 | C5 | C10 | H2 | 48.2° | 60.0° |
| O11 | C5 | C10 | H3 | 71.8° | 180.0° |
| O11 | C5 | C10 | H4 | 168.2° | 60.0° |
| O11 | C5 | C4 | H6 | 145.5° | 178.6° |
| N12 | O14 | C15 | O16 | 17.8° | 0.1° |
| N12 | O14 | C15 | N17 | 162.6° | 180.0° |
| O14 | C15 | O16 | N17 | 179.5° | 179.9° |
| O14 | C15 | N17 | C18 | 177.9° | 175.4° |
| O14 | C15 | N17 | H11 | 2.1° | 4.6° |
| O16 | C15 | N17 | C18 | 1.7° | 4.7° |
| O16 | C15 | N17 | H11 | 178.3° | 175.3° |
| C15 | N17 | C18 | H11 | 180.0° | 180.0° |
| C15 | N17 | C18 | C19 | 6.3° | 35.1° |
| C15 | N17 | C18 | C23 | 171.8° | 145.1° |
| N17 | C18 | C19 | C23 | 178.1° | 179.8° |
| N17 | C18 | C19 | C20 | 178.2° | 180.0° |
| N17 | C18 | C23 | C22 | 178.1° | 179.7° |
| N17 | C18 | C19 | H12 | 1.8° | 0.0° |
| N17 | C18 | C23 | H16 | 1.9° | 0.1° |
| C18 | C19 | C20 | H12 | 180.0° | 180.0° |
| C19 | C18 | C23 | C22 | 0.1° | 0.5° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C19 | C18 | N17 | H11 | 173.7° | 144.9° |
| C18 | C19 | C20 | H13 | 179.8° | 180.0° |
| C19 | C18 | C23 | H16 | 179.9° | 179.7° |
| C23 | C18 | C19 | C20 | 0.1° | 0.2° |
| C18 | C23 | C22 | H16 | 180.0° | 179.8° |
| C18 | C23 | C22 | C21 | 0.2° | 0.5° |
| C23 | C18 | N17 | H11 | 8.2° | 34.9° |
| C23 | C18 | C19 | H12 | 179.9° | 179.8° |
| C18 | C23 | C22 | H15 | 179.8° | 179.7° |
| C19 | C20 | C21 | H13 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H14 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.3° |
| C23 | C22 | C21 | H15 | 180.0° | 179.7° |
| C23 | C22 | C21 | H14 | 179.9° | 179.7° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C21 | C20 | C19 | H12 | 179.8° | 179.9° |
| C20 | C21 | C22 | H15 | 179.9° | 180.0° |
| C22 | C21 | C20 | H13 | 179.9° | 180.0° |
| C21 | C22 | C23 | H16 | 179.8° | 179.7° |
| H1 | C2 | C3 | H7 | 167.3° | 172.6° |
| H1 | C2 | O6 | H8 | 59.8° | 59.4° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H2 | C10 | C5 | H5 | 64.9° | 179.9° |
| H3 | C10 | C5 | H5 | 175.2° | 59.9° |
| H4 | C10 | C5 | H5 | 55.2° | 60.1° |
| H5 | C5 | C4 | H6 | 32.1° | 58.5° |
| H6 | C4 | C3 | H7 | 63.0° | 59.9° |
| H6 | C4 | O9 | H10 | 59.5° | 60.0° |
| H7 | C3 | O8 | H9 | 62.7° | 60.3° |
| H12 | C19 | C20 | H13 | 0.2° | 0.0° |
| H13 | C20 | C21 | H14 | 0.1° | 0.0° |
| H14 | C21 | C22 | H15 | 0.1° | 0.0° |
| H15 | C22 | C23 | H16 | 0.3° | 0.1° |
