GCZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C19 | sing | 1.51Å | 1.52Å | |
| C21 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | S1 | sing | 1.76Å | 1.76Å | |
| O2 | C15 | doub | 1.22Å | 1.23Å | |
| C15 | N7 | sing | 1.35Å | 1.39Å | |
| C15 | N6 | sing | 1.35Å | 1.33Å | |
| N7 | S1 | sing | 1.66Å | 1.68Å | |
| N6 | N5 | sing | 1.37Å | 1.41Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| C13 | N5 | sing | 1.49Å | 1.48Å | |
| C13 | C9 | sing | 1.54Å | 1.53Å | |
| N5 | C12 | sing | 1.48Å | 1.49Å | |
| C9 | C11 | sing | 1.54Å | 1.53Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C11 | C14 | sing | 1.55Å | 1.54Å | |
| C8 | C12 | sing | 1.54Å | 1.53Å | |
| C8 | C10 | sing | 1.54Å | 1.54Å | |
| C14 | C10 | sing | 1.55Å | 1.50Å | |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| N7 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C19 | C21 | 120.9° | 120.0° |
| C22 | C19 | C20 | 121.4° | 120.0° |
| C19 | C22 | H19 | 109.5° | 109.5° |
| C19 | C22 | H20 | 109.5° | 109.5° |
| C19 | C22 | H21 | 109.4° | 109.5° |
| C19 | C21 | C18 | 121.6° | 120.0° |
| C21 | C19 | C20 | 117.7° | 120.0° |
| C19 | C21 | H18 | 119.2° | 119.9° |
| C21 | C18 | C16 | 119.5° | 120.0° |
| C21 | C18 | H16 | 120.3° | 120.0° |
| C18 | C21 | H18 | 119.2° | 120.0° |
| C19 | C20 | C17 | 121.6° | 120.0° |
| C19 | C20 | H17 | 119.2° | 120.0° |
| C18 | C16 | C17 | 120.4° | 120.0° |
| C18 | C16 | S1 | 119.9° | 120.0° |
| C16 | C18 | H16 | 120.3° | 120.1° |
| C20 | C17 | C16 | 119.3° | 120.0° |
| C20 | C17 | H15 | 120.4° | 120.0° |
| C17 | C20 | H17 | 119.2° | 120.0° |
| C17 | C16 | S1 | 119.7° | 120.0° |
| C16 | C17 | H15 | 120.4° | 120.0° |
| C16 | S1 | N7 | 107.0° | 107.2° |
| C16 | S1 | O4 | 109.0° | 106.4° |
| C16 | S1 | O3 | 105.8° | 106.4° |
| O2 | C15 | N7 | 122.6° | 120.0° |
| O2 | C15 | N6 | 111.5° | 120.0° |
| N7 | C15 | N6 | 125.6° | 120.0° |
| C15 | N7 | S1 | 132.8° | 120.0° |
| C15 | N7 | H2 | 113.6° | 120.0° |
| C15 | N6 | N5 | 133.0° | 120.0° |
| C15 | N6 | H1 | 113.5° | 120.0° |
| N7 | S1 | O4 | 107.6° | 106.5° |
| N7 | S1 | O3 | 108.2° | 106.4° |
| S1 | N7 | H2 | 113.6° | 120.0° |
| N6 | N5 | C13 | 107.8° | 111.0° |
| N6 | N5 | C12 | 124.2° | 111.0° |
| N5 | N6 | H1 | 113.5° | 120.0° |
| O4 | S1 | O3 | 118.8° | 123.2° |
| N5 | C13 | C9 | 104.1° | 104.7° |
| C13 | N5 | C12 | 106.8° | 104.2° |
| N5 | C13 | H11 | 110.8° | 110.3° |
| N5 | C13 | H12 | 110.8° | 110.4° |
| C13 | C9 | C11 | 114.0° | 108.9° |
| C13 | C9 | C8 | 105.4° | 105.0° |
| C13 | C9 | H4 | 110.7° | 112.5° |
| C9 | C13 | H11 | 110.8° | 110.5° |
| C9 | C13 | H12 | 110.8° | 110.4° |
| N5 | C12 | C8 | 105.2° | 104.7° |
| N5 | C12 | H9 | 110.5° | 110.4° |
| N5 | C12 | H10 | 110.5° | 110.4° |
| C11 | C9 | C8 | 105.3° | 106.4° |
| C9 | C11 | C14 | 105.4° | 104.3° |
| C11 | C9 | H4 | 110.6° | 111.8° |
| C9 | C11 | H7 | 110.5° | 110.5° |
| C9 | C11 | H8 | 110.5° | 110.5° |
| C9 | C8 | C12 | 106.5° | 104.9° |
| C9 | C8 | C10 | 109.0° | 106.4° |
| C9 | C8 | H3 | 108.1° | 112.7° |
| C8 | C9 | H4 | 110.6° | 111.9° |
| C11 | C14 | C10 | 106.8° | 102.7° |
| C14 | C11 | H7 | 110.5° | 110.4° |
| C14 | C11 | H8 | 110.5° | 110.5° |
| C11 | C14 | H13 | 110.1° | 110.7° |
| C11 | C14 | H14 | 110.1° | 110.8° |
| C12 | C8 | C10 | 116.8° | 108.8° |
| C12 | C8 | H3 | 108.1° | 111.8° |
| C8 | C12 | H9 | 110.5° | 110.4° |
| C8 | C12 | H10 | 110.5° | 110.4° |
| C8 | C10 | C14 | 104.8° | 104.3° |
| C10 | C8 | H3 | 108.0° | 111.8° |
| C8 | C10 | H5 | 110.7° | 110.5° |
| C8 | C10 | H6 | 110.6° | 110.5° |
| C14 | C10 | H5 | 110.6° | 110.4° |
| C14 | C10 | H6 | 110.6° | 110.6° |
| C10 | C14 | H13 | 110.1° | 110.8° |
| C10 | C14 | H14 | 110.1° | 110.8° |
| H5 | C10 | H6 | 109.5° | 110.4° |
| H7 | C11 | H8 | 109.5° | 110.5° |
| H9 | C12 | H10 | 109.4° | 110.5° |
| H11 | C13 | H12 | 109.5° | 110.4° |
| H13 | C14 | H14 | 109.5° | 110.8° |
| H19 | C22 | H20 | 109.4° | 109.5° |
| H19 | C22 | H21 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C19 | C21 | C20 | 179.8° | 179.5° |
| C22 | C19 | C21 | C18 | 179.9° | 179.7° |
| C22 | C19 | C20 | C17 | 179.4° | 180.0° |
| C22 | C19 | C20 | H17 | 0.6° | 0.5° |
| C22 | C19 | C21 | H18 | 0.1° | 0.5° |
| C19 | C22 | H19 | H20 | 120.0° | 120.0° |
| C19 | C22 | H19 | H21 | 120.0° | 120.0° |
| C19 | C22 | H20 | H21 | 120.0° | 120.1° |
| C19 | C21 | C18 | H18 | 180.0° | 179.1° |
| C19 | C21 | C18 | C16 | 0.5° | 0.6° |
| C21 | C19 | C20 | C17 | 0.4° | 0.5° |
| C19 | C21 | C18 | H16 | 179.5° | 179.4° |
| C21 | C19 | C20 | H17 | 179.6° | 180.0° |
| C21 | C19 | C22 | H19 | 89.9° | 89.4° |
| C21 | C19 | C22 | H20 | 150.1° | 30.5° |
| C21 | C19 | C22 | H21 | 30.1° | 150.6° |
| C18 | C21 | C19 | C20 | 0.3° | 0.9° |
| C21 | C18 | C16 | H16 | 180.0° | 180.0° |
| C21 | C18 | C16 | C17 | 0.1° | 0.0° |
| C21 | C18 | C16 | S1 | 179.6° | 179.7° |
| C19 | C20 | C17 | H17 | 180.0° | 179.5° |
| C19 | C20 | C17 | C16 | 0.9° | 0.1° |
| C19 | C20 | C17 | H15 | 179.1° | 180.0° |
| C20 | C19 | C21 | H18 | 179.7° | 180.0° |
| C20 | C19 | C22 | H19 | 89.9° | 90.0° |
| C20 | C19 | C22 | H20 | 30.1° | 150.0° |
| C20 | C19 | C22 | H21 | 150.1° | 29.9° |
| C18 | C16 | C17 | C20 | 0.7° | 0.4° |
| C18 | C16 | C17 | S1 | 179.6° | 179.7° |
| C18 | C16 | S1 | N7 | 61.6° | 90.3° |
| C18 | C16 | S1 | O4 | 54.4° | 23.3° |
| C18 | C16 | S1 | O3 | 176.8° | 156.2° |
| C18 | C16 | C17 | H15 | 179.3° | 179.7° |
| C16 | C18 | C21 | H18 | 179.5° | 179.7° |
| C20 | C17 | C16 | H15 | 180.0° | 179.9° |
| C20 | C17 | C16 | S1 | 179.7° | 180.0° |
| C17 | C16 | S1 | N7 | 118.0° | 90.0° |
| C17 | C16 | S1 | O4 | 126.0° | 156.4° |
| C17 | C16 | S1 | O3 | 2.8° | 23.5° |
| C17 | C16 | C18 | H16 | 180.0° | 179.9° |
| C16 | C17 | C20 | H17 | 179.1° | 179.4° |
| C16 | S1 | N7 | C15 | 61.5° | 65.0° |
| C16 | S1 | N7 | O4 | 116.9° | 113.5° |
| C16 | S1 | N7 | O3 | 113.6° | 113.5° |
| C16 | S1 | O4 | O3 | 121.2° | 122.9° |
| C16 | S1 | N7 | H2 | 118.5° | 115.1° |
| S1 | C16 | C17 | H15 | 0.3° | 0.1° |
| S1 | C16 | C18 | H16 | 0.4° | 0.3° |
| O2 | C15 | N7 | N6 | 172.8° | 179.9° |
| O2 | C15 | N7 | S1 | 172.5° | 0.0° |
| O2 | C15 | N6 | N5 | 129.4° | 180.0° |
| O2 | C15 | N6 | H1 | 50.6° | 0.1° |
| O2 | C15 | N7 | H2 | 7.5° | 179.9° |
| C15 | N7 | S1 | H2 | 180.0° | 179.9° |
| N7 | C15 | N6 | N5 | 57.1° | 0.0° |
| C15 | N7 | S1 | O4 | 178.5° | 48.5° |
| C15 | N7 | S1 | O3 | 52.1° | 178.5° |
| N7 | C15 | N6 | H1 | 122.9° | 180.0° |
| N6 | C15 | N7 | S1 | 0.3° | 179.9° |
| C15 | N6 | N5 | H1 | 180.0° | 179.9° |
| C15 | N6 | N5 | C13 | 169.6° | 124.6° |
| C15 | N6 | N5 | C12 | 64.6° | 120.0° |
| N6 | C15 | N7 | H2 | 179.7° | 0.0° |
| N7 | S1 | O4 | O3 | 123.2° | 123.0° |
| N6 | N5 | C13 | C12 | 135.5° | 119.5° |
| N6 | N5 | C13 | C9 | 99.9° | 79.9° |
| N6 | N5 | C12 | C8 | 96.8° | 79.9° |
| N6 | N5 | C12 | H9 | 22.5° | 38.9° |
| N6 | N5 | C12 | H10 | 143.8° | 161.3° |
| N6 | N5 | C13 | H11 | 140.9° | 161.3° |
| N6 | N5 | C13 | H12 | 19.2° | 38.9° |
| O4 | S1 | N7 | H2 | 1.5° | 131.4° |
| O3 | S1 | N7 | H2 | 127.9° | 1.6° |
| N5 | C13 | C9 | H11 | 119.1° | 118.7° |
| N5 | C13 | C9 | H12 | 119.2° | 118.8° |
| N5 | C13 | C9 | C11 | 142.4° | 137.5° |
| N5 | C13 | C9 | C8 | 27.4° | 23.9° |
| C13 | N5 | C12 | C8 | 29.4° | 39.6° |
| C13 | N5 | N6 | H1 | 10.4° | 55.4° |
| N5 | C13 | C9 | H4 | 92.2° | 98.0° |
| C13 | N5 | C12 | H9 | 148.8° | 158.4° |
| C13 | N5 | C12 | H10 | 89.9° | 79.1° |
| N5 | C13 | H11 | H12 | 122.5° | 122.3° |
| C9 | C13 | N5 | C12 | 35.6° | 39.6° |
| C13 | C9 | C11 | C8 | 115.1° | 112.6° |
| C13 | C9 | C11 | H4 | 125.4° | 124.9° |
| C13 | C9 | C8 | H4 | 119.7° | 122.3° |
| C13 | C9 | C11 | C14 | 95.0° | 136.3° |
| C13 | C9 | C8 | C12 | 9.7° | 0.0° |
| C13 | C9 | C8 | C10 | 117.1° | 115.3° |
| C13 | C9 | C8 | H3 | 125.7° | 121.9° |
| C13 | C9 | C11 | H7 | 24.3° | 17.6° |
| C13 | C9 | C11 | H8 | 145.7° | 104.9° |
| C9 | C13 | H11 | H12 | 122.5° | 122.5° |
| N5 | C12 | C8 | C9 | 11.5° | 23.9° |
| N5 | C12 | C8 | H9 | 119.3° | 118.8° |
| N5 | C12 | C8 | H10 | 119.4° | 118.8° |
| N5 | C12 | C8 | C10 | 133.6° | 137.5° |
| C12 | N5 | N6 | H1 | 115.4° | 60.0° |
| N5 | C12 | C8 | H3 | 104.4° | 98.5° |
| N5 | C12 | H9 | H10 | 122.0° | 122.5° |
| C12 | N5 | C13 | H11 | 83.6° | 79.2° |
| C12 | N5 | C13 | H12 | 154.7° | 158.5° |
| C11 | C9 | C8 | H4 | 119.5° | 122.4° |
| C9 | C11 | C14 | H7 | 119.3° | 118.7° |
| C9 | C11 | C14 | H8 | 119.3° | 118.7° |
| C11 | C9 | C8 | C12 | 130.6° | 115.3° |
| C11 | C9 | C8 | C10 | 3.7° | 0.0° |
| C9 | C11 | C14 | C10 | 30.0° | 38.2° |
| C11 | C9 | C8 | H3 | 113.5° | 122.8° |
| C9 | C11 | H7 | H8 | 121.9° | 122.5° |
| C11 | C9 | C13 | H11 | 23.3° | 18.7° |
| C11 | C9 | C13 | H12 | 98.4° | 103.7° |
| C9 | C11 | C14 | H13 | 89.6° | 80.1° |
| C9 | C11 | C14 | H14 | 149.5° | 156.5° |
| C8 | C9 | C11 | C14 | 20.1° | 23.7° |
| C9 | C8 | C12 | C10 | 122.1° | 113.6° |
| C9 | C8 | C12 | H3 | 116.0° | 122.4° |
| C9 | C8 | C10 | H3 | 117.3° | 123.4° |
| C9 | C8 | C10 | C14 | 14.5° | 23.7° |
| C9 | C8 | C10 | H5 | 104.7° | 142.4° |
| C9 | C8 | C10 | H6 | 133.8° | 95.1° |
| C8 | C9 | C11 | H7 | 139.4° | 95.0° |
| C8 | C9 | C11 | H8 | 99.2° | 142.4° |
| C9 | C8 | C12 | H9 | 130.9° | 142.7° |
| C9 | C8 | C12 | H10 | 107.8° | 94.9° |
| C8 | C9 | C13 | H11 | 91.7° | 94.8° |
| C8 | C9 | C13 | H12 | 146.6° | 142.7° |
| C11 | C14 | C10 | C8 | 27.2° | 38.2° |
| C11 | C14 | C10 | H13 | 119.6° | 118.3° |
| C11 | C14 | C10 | H14 | 119.6° | 118.4° |
| C14 | C11 | C9 | H4 | 139.6° | 98.8° |
| C11 | C14 | C10 | H5 | 92.1° | 156.9° |
| C11 | C14 | C10 | H6 | 146.4° | 80.6° |
| C14 | C11 | H7 | H8 | 121.9° | 122.6° |
| C11 | C14 | H13 | H14 | 121.2° | 123.3° |
| C12 | C8 | C10 | H3 | 122.0° | 124.0° |
| C12 | C8 | C10 | C14 | 106.2° | 136.3° |
| C12 | C8 | C9 | H4 | 109.9° | 122.3° |
| C12 | C8 | C10 | H5 | 134.5° | 105.0° |
| C12 | C8 | C10 | H6 | 13.0° | 17.5° |
| C8 | C12 | H9 | H10 | 121.9° | 122.3° |
| C8 | C10 | C14 | H5 | 119.3° | 118.7° |
| C8 | C10 | C14 | H6 | 119.3° | 118.8° |
| C10 | C8 | C9 | H4 | 123.2° | 122.4° |
| C8 | C10 | H5 | H6 | 122.2° | 122.5° |
| C10 | C8 | C12 | H9 | 107.1° | 103.7° |
| C10 | C8 | C12 | H10 | 14.2° | 18.7° |
| C8 | C10 | C14 | H13 | 92.4° | 80.1° |
| C8 | C10 | C14 | H14 | 146.8° | 156.5° |
| C14 | C10 | C8 | H3 | 131.8° | 99.7° |
| C14 | C10 | H5 | H6 | 122.1° | 122.6° |
| C10 | C14 | C11 | H7 | 149.3° | 80.5° |
| C10 | C14 | C11 | H8 | 89.4° | 156.9° |
| C10 | C14 | H13 | H14 | 121.2° | 123.4° |
| H3 | C8 | C9 | H4 | 6.0° | 0.5° |
| H3 | C8 | C10 | H5 | 12.5° | 19.0° |
| H3 | C8 | C10 | H6 | 109.0° | 141.5° |
| H3 | C8 | C12 | H9 | 14.9° | 20.3° |
| H3 | C8 | C12 | H10 | 136.2° | 142.7° |
| H4 | C9 | C11 | H7 | 101.1° | 142.5° |
| H4 | C9 | C11 | H8 | 20.3° | 20.0° |
| H4 | C9 | C13 | H11 | 148.7° | 143.2° |
| H4 | C9 | C13 | H12 | 26.9° | 20.8° |
| H5 | C10 | C14 | H13 | 148.3° | 38.6° |
| H5 | C10 | C14 | H14 | 27.5° | 84.8° |
| H6 | C10 | C14 | H13 | 26.8° | 161.1° |
| H6 | C10 | C14 | H14 | 94.0° | 37.8° |
| H7 | C11 | C14 | H13 | 29.7° | 161.1° |
| H7 | C11 | C14 | H14 | 91.1° | 37.8° |
| H8 | C11 | C14 | H13 | 151.0° | 38.6° |
| H8 | C11 | C14 | H14 | 30.2° | 84.8° |
| H15 | C17 | C20 | H17 | 0.9° | 0.5° |
| H16 | C18 | C21 | H18 | 0.5° | 0.3° |
| H19 | C22 | H20 | H21 | 120.0° | 119.9° |
