GEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| O23 | S21 | doub | 1.42Å | 1.44Å | |
| N6 | C5 | doub | 1.34Å | 1.38Å | Aromatic |
| N6 | C7 | sing | 1.31Å | 1.34Å | Aromatic |
| C5 | C18 | sing | 1.42Å | 1.43Å | Aromatic |
| C20 | S21 | sing | 1.76Å | 1.79Å | |
| C20 | C19 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C24 | sing | 1.53Å | 1.52Å | |
| S21 | C24 | sing | 1.81Å | 1.83Å | |
| S21 | O22 | doub | 1.42Å | 1.44Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C9 | doub | 1.41Å | 1.43Å | Aromatic |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N10 | sing | 1.39Å | 1.42Å | |
| N10 | C11 | sing | 1.39Å | 1.37Å | |
| C17 | C16 | sing | 1.51Å | 1.48Å | |
| C11 | C16 | doub | 1.36Å | 1.45Å | Aromatic |
| C11 | N12 | sing | 1.36Å | 1.33Å | Aromatic |
| C16 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| N12 | N13 | sing | 1.40Å | 1.35Å | Aromatic |
| C14 | N13 | doub | 1.31Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| N12 | H8 | sing | 0.97Å | 1.00Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 119.4° | 117.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 123.2° | 119.6° |
| O2 | C3 | C20 | 117.8° | 119.7° |
| C3 | C4 | C5 | 121.8° | 119.6° |
| C4 | C3 | C20 | 119.0° | 120.7° |
| C3 | C4 | H4 | 119.1° | 120.2° |
| C4 | C5 | N6 | 117.4° | 120.9° |
| C4 | C5 | C18 | 118.5° | 119.1° |
| C5 | C4 | H4 | 119.1° | 120.2° |
| C3 | C20 | S21 | 122.9° | 119.6° |
| C3 | C20 | C19 | 121.9° | 120.8° |
| O23 | S21 | C20 | 110.0° | 104.2° |
| O23 | S21 | C24 | 107.0° | 110.6° |
| O23 | S21 | O22 | 118.4° | 121.0° |
| C5 | N6 | C7 | 115.2° | 121.6° |
| N6 | C5 | C18 | 124.1° | 120.0° |
| N6 | C7 | C8 | 125.4° | 121.9° |
| N6 | C7 | H5 | 117.3° | 119.1° |
| C5 | C18 | C19 | 118.8° | 119.9° |
| C5 | C18 | C9 | 117.2° | 118.9° |
| S21 | C20 | C19 | 115.3° | 119.6° |
| C20 | S21 | C24 | 108.9° | 104.5° |
| C20 | S21 | O22 | 105.6° | 104.3° |
| C20 | C19 | C18 | 120.0° | 119.8° |
| C20 | C19 | H15 | 120.0° | 120.1° |
| C27 | C24 | S21 | 112.1° | 109.5° |
| C27 | C24 | C26 | 109.9° | 109.5° |
| C27 | C24 | C25 | 108.6° | 109.5° |
| C24 | C27 | H22 | 109.5° | 109.5° |
| C24 | C27 | H23 | 109.5° | 109.5° |
| C24 | C27 | H24 | 109.5° | 109.5° |
| C24 | S21 | O22 | 106.7° | 110.6° |
| S21 | C24 | C26 | 106.0° | 109.5° |
| S21 | C24 | C25 | 110.1° | 109.5° |
| C7 | C8 | C9 | 120.6° | 119.7° |
| C8 | C7 | H5 | 117.3° | 119.0° |
| C7 | C8 | H6 | 119.7° | 120.2° |
| C19 | C18 | C9 | 123.9° | 121.2° |
| C18 | C19 | H15 | 120.0° | 120.1° |
| C18 | C9 | C8 | 117.5° | 117.9° |
| C18 | C9 | N10 | 119.4° | 121.1° |
| C26 | C24 | C25 | 110.2° | 109.4° |
| C24 | C26 | H19 | 109.5° | 109.5° |
| C24 | C26 | H20 | 109.5° | 109.4° |
| C24 | C26 | H21 | 109.5° | 109.5° |
| C24 | C25 | H16 | 109.5° | 109.5° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C24 | C25 | H18 | 109.4° | 109.5° |
| C8 | C9 | N10 | 123.1° | 121.0° |
| C9 | C8 | H6 | 119.7° | 120.1° |
| C9 | N10 | C11 | 126.9° | 120.0° |
| C9 | N10 | H7 | 116.5° | 119.9° |
| N10 | C11 | C16 | 127.9° | 126.3° |
| N10 | C11 | N12 | 120.0° | 126.3° |
| C11 | N10 | H7 | 116.6° | 120.1° |
| C17 | C16 | C11 | 125.8° | 126.0° |
| C17 | C16 | C14 | 130.5° | 126.1° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C16 | C17 | H14 | 109.4° | 109.5° |
| C16 | C11 | N12 | 112.2° | 107.4° |
| C11 | C16 | C14 | 103.7° | 107.9° |
| C11 | N12 | N13 | 103.1° | 107.9° |
| C11 | N12 | H8 | 128.5° | 126.1° |
| C16 | C14 | N13 | 105.8° | 108.4° |
| C16 | C14 | C15 | 133.3° | 125.8° |
| N12 | N13 | C14 | 115.2° | 108.4° |
| N13 | N12 | H8 | 128.5° | 126.0° |
| N13 | C14 | C15 | 120.9° | 125.8° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.4° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.4° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.4° |
| H12 | C17 | H14 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H16 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.4° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 1.3° | 0.3° |
| C1 | O2 | C3 | C20 | 178.1° | 180.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 119.9° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| O2 | C3 | C4 | C20 | 179.4° | 179.7° |
| O2 | C3 | C4 | C5 | 178.5° | 180.0° |
| O2 | C3 | C20 | S21 | 0.9° | 0.0° |
| O2 | C3 | C20 | C19 | 179.5° | 179.8° |
| C3 | O2 | C1 | H1 | 180.0° | 59.9° |
| C3 | O2 | C1 | H2 | 60.0° | 180.0° |
| C3 | O2 | C1 | H3 | 60.0° | 60.0° |
| O2 | C3 | C4 | H4 | 1.5° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | N6 | 179.8° | 180.0° |
| C3 | C4 | C5 | C18 | 1.3° | 0.0° |
| C4 | C3 | C20 | S21 | 178.5° | 179.7° |
| C4 | C3 | C20 | C19 | 0.0° | 0.5° |
| C5 | C4 | C3 | C20 | 0.9° | 0.3° |
| C4 | C5 | N6 | C18 | 178.9° | 179.9° |
| C4 | C5 | N6 | C7 | 177.4° | 179.9° |
| C4 | C5 | C18 | C19 | 0.7° | 0.0° |
| C4 | C5 | C18 | C9 | 177.1° | 179.9° |
| C3 | C20 | S21 | O23 | 28.3° | 139.0° |
| C3 | C20 | S21 | C19 | 178.7° | 179.8° |
| C3 | C20 | S21 | C24 | 88.7° | 104.9° |
| C3 | C20 | S21 | O22 | 157.0° | 11.2° |
| C3 | C20 | C19 | C18 | 0.6° | 0.5° |
| C20 | C3 | C4 | H4 | 179.1° | 179.8° |
| C3 | C20 | C19 | H15 | 179.4° | 179.8° |
| O23 | S21 | C20 | C24 | 117.0° | 116.1° |
| O23 | S21 | C20 | O22 | 128.7° | 127.8° |
| O23 | S21 | C20 | C19 | 150.4° | 40.8° |
| O23 | S21 | C24 | C27 | 58.9° | 73.4° |
| O23 | S21 | C24 | O22 | 127.6° | 136.8° |
| O23 | S21 | C24 | C26 | 61.0° | 166.5° |
| O23 | S21 | C24 | C25 | 179.8° | 46.6° |
| C5 | N6 | C7 | C8 | 0.3° | 0.0° |
| N6 | C5 | C18 | C19 | 179.6° | 180.0° |
| N6 | C5 | C18 | C9 | 1.8° | 0.0° |
| N6 | C5 | C4 | H4 | 0.2° | 0.1° |
| C5 | N6 | C7 | H5 | 179.7° | 179.9° |
| C7 | N6 | C5 | C18 | 1.5° | 0.0° |
| N6 | C7 | C8 | H5 | 180.0° | 179.9° |
| N6 | C7 | C8 | C9 | 0.7° | 0.0° |
| N6 | C7 | C8 | H6 | 179.3° | 179.9° |
| C5 | C18 | C19 | C20 | 0.2° | 0.3° |
| C5 | C18 | C19 | C9 | 177.7° | 180.0° |
| C5 | C18 | C9 | C8 | 0.7° | 0.0° |
| C5 | C18 | C9 | N10 | 179.2° | 180.0° |
| C18 | C5 | C4 | H4 | 178.8° | 179.9° |
| C5 | C18 | C19 | H15 | 179.8° | 180.0° |
| C20 | S21 | C24 | C27 | 60.0° | 175.0° |
| C20 | S21 | C24 | O22 | 113.5° | 111.6° |
| S21 | C20 | C19 | C18 | 178.1° | 179.7° |
| C20 | S21 | C24 | C26 | 179.9° | 54.9° |
| C20 | S21 | C24 | C25 | 61.0° | 65.0° |
| S21 | C20 | C19 | H15 | 1.9° | 0.0° |
| C19 | C20 | S21 | C24 | 92.6° | 75.3° |
| C19 | C20 | S21 | O22 | 21.7° | 168.6° |
| C20 | C19 | C18 | H15 | 180.0° | 179.7° |
| C20 | C19 | C18 | C9 | 177.9° | 179.7° |
| C27 | C24 | S21 | C26 | 119.9° | 120.0° |
| C27 | C24 | S21 | C25 | 121.0° | 120.0° |
| C27 | C24 | S21 | O22 | 173.5° | 63.3° |
| C27 | C24 | C26 | C25 | 119.7° | 120.0° |
| C27 | C24 | C25 | H16 | 180.0° | 180.0° |
| C27 | C24 | C25 | H17 | 60.0° | 60.0° |
| C27 | C24 | C25 | H18 | 60.0° | 60.0° |
| C27 | C24 | C26 | H19 | 180.0° | 55.0° |
| C27 | C24 | C26 | H20 | 60.0° | 64.9° |
| C27 | C24 | C26 | H21 | 60.0° | 175.1° |
| C24 | C27 | H22 | H23 | 120.0° | 120.0° |
| C24 | C27 | H22 | H24 | 120.0° | 120.1° |
| C24 | C27 | H23 | H24 | 120.0° | 120.0° |
| S21 | C24 | C26 | C25 | 119.1° | 120.0° |
| S21 | C24 | C25 | H16 | 57.0° | 60.0° |
| S21 | C24 | C25 | H17 | 177.0° | 180.0° |
| S21 | C24 | C25 | H18 | 63.0° | 60.0° |
| S21 | C24 | C26 | H19 | 58.8° | 65.0° |
| S21 | C24 | C26 | H20 | 61.3° | 175.0° |
| S21 | C24 | C26 | H21 | 178.7° | 55.0° |
| S21 | C24 | C27 | H22 | 180.0° | 60.0° |
| S21 | C24 | C27 | H23 | 60.0° | 180.0° |
| S21 | C24 | C27 | H24 | 60.0° | 60.0° |
| O22 | S21 | C24 | C26 | 66.6° | 56.7° |
| O22 | S21 | C24 | C25 | 52.5° | 176.7° |
| C7 | C8 | C9 | C18 | 0.4° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | N10 | 179.7° | 180.0° |
| C19 | C18 | C9 | C8 | 178.4° | 180.0° |
| C19 | C18 | C9 | N10 | 1.5° | 0.1° |
| C18 | C9 | C8 | N10 | 179.8° | 180.0° |
| C18 | C9 | N10 | C11 | 179.2° | 153.6° |
| C18 | C9 | C8 | H6 | 179.6° | 180.0° |
| C18 | C9 | N10 | H7 | 0.8° | 26.3° |
| C9 | C18 | C19 | H15 | 2.2° | 0.0° |
| C26 | C24 | C25 | H16 | 59.6° | 59.9° |
| C26 | C24 | C25 | H17 | 60.5° | 60.0° |
| C26 | C24 | C25 | H18 | 179.5° | 180.0° |
| C24 | C26 | H19 | H20 | 120.0° | 119.9° |
| C24 | C26 | H19 | H21 | 120.0° | 120.0° |
| C24 | C26 | H20 | H21 | 120.0° | 120.0° |
| C26 | C24 | C27 | H22 | 62.4° | 180.0° |
| C26 | C24 | C27 | H23 | 57.5° | 60.0° |
| C26 | C24 | C27 | H24 | 177.5° | 60.0° |
| C24 | C25 | H16 | H17 | 120.0° | 120.0° |
| C24 | C25 | H16 | H18 | 120.0° | 120.0° |
| C24 | C25 | H17 | H18 | 120.0° | 120.0° |
| C25 | C24 | C26 | H19 | 60.3° | 175.0° |
| C25 | C24 | C26 | H20 | 179.6° | 55.1° |
| C25 | C24 | C26 | H21 | 59.7° | 64.9° |
| C25 | C24 | C27 | H22 | 58.2° | 60.0° |
| C25 | C24 | C27 | H23 | 178.2° | 60.0° |
| C25 | C24 | C27 | H24 | 61.8° | 180.0° |
| C8 | C9 | N10 | C11 | 1.0° | 26.4° |
| C9 | C8 | C7 | H5 | 179.3° | 179.9° |
| C8 | C9 | N10 | H7 | 179.0° | 153.7° |
| C9 | N10 | C11 | H7 | 180.0° | 180.0° |
| C9 | N10 | C11 | C16 | 60.5° | 173.1° |
| C9 | N10 | C11 | N12 | 120.8° | 7.3° |
| N10 | C9 | C8 | H6 | 0.3° | 0.0° |
| N10 | C11 | C16 | C17 | 0.6° | 0.0° |
| N10 | C11 | C16 | N12 | 178.8° | 179.7° |
| N10 | C11 | C16 | C14 | 179.6° | 179.9° |
| N10 | C11 | N12 | N13 | 179.6° | 180.0° |
| N10 | C11 | N12 | H8 | 0.4° | 0.0° |
| C17 | C16 | C11 | C14 | 179.8° | 179.9° |
| C17 | C16 | C11 | N12 | 178.2° | 179.7° |
| C17 | C16 | C14 | N13 | 178.8° | 179.7° |
| C17 | C16 | C14 | C15 | 1.3° | 0.1° |
| C16 | C17 | H12 | H13 | 120.0° | 119.9° |
| C16 | C17 | H12 | H14 | 120.0° | 120.1° |
| C16 | C17 | H13 | H14 | 120.0° | 120.1° |
| C16 | C11 | N12 | N13 | 1.5° | 0.3° |
| C11 | C16 | C14 | N13 | 1.0° | 0.4° |
| C11 | C16 | C14 | C15 | 178.9° | 179.8° |
| C16 | C11 | N10 | H7 | 119.5° | 7.0° |
| C16 | C11 | N12 | H8 | 178.5° | 179.7° |
| C11 | C16 | C17 | H12 | 89.9° | 90.0° |
| C11 | C16 | C17 | H13 | 150.1° | 150.1° |
| C11 | C16 | C17 | H14 | 30.1° | 30.0° |
| N12 | C11 | C16 | C14 | 1.6° | 0.4° |
| C11 | N12 | N13 | H8 | 180.0° | 180.0° |
| C11 | N12 | N13 | C14 | 0.9° | 0.0° |
| N12 | C11 | N10 | H7 | 59.2° | 172.7° |
| C16 | C14 | N13 | N12 | 0.1° | 0.2° |
| C16 | C14 | N13 | C15 | 179.9° | 179.7° |
| C16 | C14 | C15 | H9 | 179.8° | 89.7° |
| C16 | C14 | C15 | H10 | 59.9° | 30.3° |
| C16 | C14 | C15 | H11 | 60.2° | 150.3° |
| C14 | C16 | C17 | H12 | 89.8° | 89.9° |
| C14 | C16 | C17 | H13 | 30.1° | 30.0° |
| C14 | C16 | C17 | H14 | 150.1° | 150.1° |
| N12 | N13 | C14 | C15 | 179.8° | 180.0° |
| C14 | N13 | N12 | H8 | 179.2° | 180.0° |
| N13 | C14 | C15 | H9 | 0.0° | 90.0° |
| N13 | C14 | C15 | H10 | 120.0° | 150.0° |
| N13 | C14 | C15 | H11 | 120.0° | 30.0° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H11 | 120.0° | 120.1° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C7 | C8 | H6 | 0.7° | 0.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C17 | H13 | H14 | 120.0° | 119.9° |
| H16 | C25 | H17 | H18 | 120.0° | 120.0° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
| H22 | C27 | H23 | H24 | 120.0° | 120.0° |
