G4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.47Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | N02 | sing | 1.47Å | 1.47Å | |
| O07 | C06 | sing | 1.43Å | 1.43Å | |
| C04 | S05 | sing | 1.81Å | 1.81Å | |
| N02 | C06 | sing | 1.47Å | 1.49Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C06 | C08 | sing | 1.53Å | 1.54Å | |
| C08 | O11 | sing | 1.43Å | 1.44Å | |
| C08 | C10 | sing | 1.53Å | 1.52Å | |
| O11 | C12 | sing | 1.36Å | 1.39Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.80Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| O07 | H20 | sing | 0.97Å | 0.95Å | |
| S05 | H21 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 107.6° | 111.0° |
| C01 | N02 | C06 | 116.9° | 111.0° |
| N02 | C01 | H8 | 109.5° | 109.4° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| C04 | C03 | N02 | 109.8° | 109.4° |
| C03 | C04 | S05 | 109.0° | 109.4° |
| C04 | C03 | H11 | 109.4° | 109.4° |
| C04 | C03 | H12 | 109.4° | 109.5° |
| C03 | C04 | H13 | 109.6° | 109.5° |
| C03 | C04 | H14 | 109.6° | 109.5° |
| C03 | N02 | C06 | 108.0° | 111.0° |
| N02 | C03 | H11 | 109.4° | 109.5° |
| N02 | C03 | H12 | 109.4° | 109.5° |
| O07 | C06 | N02 | 110.6° | 109.5° |
| O07 | C06 | C08 | 112.1° | 109.5° |
| O07 | C06 | H15 | 106.3° | 109.5° |
| C06 | O07 | H20 | 109.5° | 114.0° |
| S05 | C04 | H13 | 109.6° | 109.5° |
| S05 | C04 | H14 | 109.6° | 109.4° |
| C04 | S05 | H21 | 102.0° | 103.0° |
| N02 | C06 | C08 | 116.2° | 109.5° |
| N02 | C06 | H15 | 105.6° | 109.5° |
| C09 | C08 | C06 | 112.3° | 109.5° |
| C09 | C08 | O11 | 108.3° | 109.5° |
| C09 | C08 | C10 | 105.5° | 109.5° |
| C08 | C09 | H16 | 109.5° | 109.5° |
| C08 | C09 | H17 | 109.4° | 109.5° |
| C08 | C09 | H18 | 109.5° | 109.5° |
| C06 | C08 | O11 | 111.9° | 109.4° |
| C06 | C08 | C10 | 110.5° | 109.4° |
| C08 | C06 | H15 | 105.1° | 109.5° |
| O11 | C08 | C10 | 108.0° | 109.5° |
| C08 | O11 | C12 | 127.9° | 117.0° |
| C08 | C10 | H2 | 109.5° | 109.5° |
| C08 | C10 | H3 | 109.5° | 109.4° |
| C08 | C10 | H4 | 109.5° | 109.5° |
| O11 | C12 | C13 | 124.7° | 120.0° |
| O11 | C12 | C18 | 117.5° | 120.0° |
| C13 | C12 | C18 | 117.8° | 120.0° |
| C12 | C13 | C14 | 121.5° | 119.9° |
| C12 | C13 | H1 | 119.3° | 120.0° |
| C12 | C18 | C17 | 121.2° | 120.0° |
| C12 | C18 | H7 | 119.4° | 120.1° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C14 | C13 | H1 | 119.2° | 120.0° |
| C13 | C14 | H6 | 120.2° | 120.0° |
| C18 | C17 | C15 | 120.0° | 120.0° |
| C18 | C17 | H5 | 120.0° | 120.0° |
| C17 | C18 | H7 | 119.4° | 120.0° |
| C14 | C15 | C17 | 119.9° | 120.1° |
| C14 | C15 | CL | 119.6° | 120.0° |
| C15 | C14 | H6 | 120.3° | 120.0° |
| C17 | C15 | CL | 120.5° | 119.9° |
| C15 | C17 | H5 | 120.0° | 120.0° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H4 | 109.4° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.5° | 109.5° |
| H16 | C09 | H18 | 109.4° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 141.6° | 66.0° |
| C01 | N02 | C03 | C06 | 127.0° | 124.0° |
| C01 | N02 | C06 | O07 | 78.9° | 52.5° |
| C01 | N02 | C06 | C08 | 50.4° | 67.5° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H10 | 120.0° | 120.0° |
| N02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C01 | N02 | C03 | H11 | 21.6° | 54.0° |
| C01 | N02 | C03 | H12 | 98.4° | 174.0° |
| C01 | N02 | C06 | H15 | 166.4° | 172.5° |
| C04 | C03 | N02 | H11 | 120.0° | 119.9° |
| C04 | C03 | N02 | H12 | 120.0° | 120.0° |
| C03 | C04 | S05 | H13 | 119.9° | 120.0° |
| C03 | C04 | S05 | H14 | 119.9° | 119.9° |
| C04 | C03 | N02 | C06 | 91.4° | 170.0° |
| C04 | C03 | H11 | H12 | 119.8° | 120.0° |
| C03 | C04 | H13 | H14 | 120.2° | 120.0° |
| C03 | C04 | S05 | H21 | 180.0° | 180.0° |
| C03 | N02 | C06 | O07 | 42.5° | 71.5° |
| N02 | C03 | C04 | S05 | 65.8° | 180.0° |
| C03 | N02 | C06 | C08 | 171.8° | 168.5° |
| C03 | N02 | C01 | H8 | 180.0° | 68.6° |
| C03 | N02 | C01 | H9 | 60.0° | 171.4° |
| C03 | N02 | C01 | H10 | 60.0° | 51.3° |
| N02 | C03 | H11 | H12 | 119.9° | 120.1° |
| N02 | C03 | C04 | H13 | 54.1° | 60.0° |
| N02 | C03 | C04 | H14 | 174.3° | 60.1° |
| C03 | N02 | C06 | H15 | 72.2° | 48.5° |
| O07 | C06 | N02 | C08 | 129.3° | 120.0° |
| O07 | C06 | N02 | H15 | 114.7° | 120.0° |
| O07 | C06 | C08 | C09 | 36.3° | 66.1° |
| O07 | C06 | C08 | H15 | 115.1° | 120.0° |
| O07 | C06 | C08 | O11 | 158.4° | 53.9° |
| O07 | C06 | C08 | C10 | 81.2° | 173.9° |
| S05 | C04 | C03 | H11 | 54.2° | 60.0° |
| S05 | C04 | C03 | H12 | 174.1° | 60.0° |
| S05 | C04 | H13 | H14 | 120.2° | 120.0° |
| N02 | C06 | C08 | C09 | 92.3° | 173.9° |
| N02 | C06 | C08 | H15 | 116.3° | 120.0° |
| N02 | C06 | C08 | O11 | 29.8° | 66.1° |
| N02 | C06 | C08 | C10 | 150.2° | 53.9° |
| C06 | N02 | C01 | H8 | 58.4° | 55.4° |
| C06 | N02 | C01 | H9 | 178.4° | 64.6° |
| C06 | N02 | C01 | H10 | 61.6° | 175.3° |
| C06 | N02 | C03 | H11 | 148.6° | 70.1° |
| C06 | N02 | C03 | H12 | 28.7° | 50.0° |
| N02 | C06 | O07 | H20 | 180.0° | 60.0° |
| C09 | C08 | C06 | O11 | 122.1° | 120.0° |
| C09 | C08 | C06 | C10 | 117.5° | 120.0° |
| C09 | C08 | O11 | C10 | 113.8° | 120.1° |
| C09 | C08 | O11 | C12 | 177.5° | 59.7° |
| C09 | C08 | C10 | H2 | 180.0° | 168.5° |
| C09 | C08 | C10 | H3 | 60.0° | 71.5° |
| C09 | C08 | C10 | H4 | 60.0° | 48.4° |
| C09 | C08 | C06 | H15 | 151.4° | 53.9° |
| C08 | C09 | H16 | H17 | 120.0° | 120.0° |
| C08 | C09 | H16 | H18 | 120.0° | 120.0° |
| C08 | C09 | H17 | H18 | 120.0° | 120.0° |
| C06 | C08 | O11 | C10 | 121.9° | 120.0° |
| C06 | C08 | O11 | C12 | 58.2° | 179.6° |
| C06 | C08 | C10 | H2 | 58.4° | 48.5° |
| C06 | C08 | C10 | H3 | 178.4° | 168.5° |
| C06 | C08 | C10 | H4 | 61.6° | 71.6° |
| C06 | C08 | C09 | H16 | 180.0° | 70.7° |
| C06 | C08 | C09 | H17 | 60.0° | 169.3° |
| C06 | C08 | C09 | H18 | 60.0° | 49.2° |
| C08 | C06 | O07 | H20 | 48.5° | 60.0° |
| C08 | O11 | C12 | C13 | 9.8° | 178.4° |
| C08 | O11 | C12 | C18 | 170.4° | 1.5° |
| O11 | C08 | C10 | H2 | 64.4° | 71.4° |
| O11 | C08 | C10 | H3 | 55.6° | 48.5° |
| O11 | C08 | C10 | H4 | 175.7° | 168.5° |
| O11 | C08 | C06 | H15 | 86.5° | 173.9° |
| O11 | C08 | C09 | H16 | 55.9° | 169.3° |
| O11 | C08 | C09 | H17 | 64.1° | 49.3° |
| O11 | C08 | C09 | H18 | 175.9° | 70.7° |
| C10 | C08 | O11 | C12 | 63.7° | 60.4° |
| C08 | C10 | H2 | H3 | 120.0° | 119.9° |
| C08 | C10 | H2 | H4 | 120.0° | 120.1° |
| C08 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C08 | C06 | H15 | 33.9° | 66.1° |
| C10 | C08 | C09 | H16 | 59.5° | 49.2° |
| C10 | C08 | C09 | H17 | 179.5° | 70.7° |
| C10 | C08 | C09 | H18 | 60.5° | 169.2° |
| O11 | C12 | C13 | C18 | 179.8° | 180.0° |
| O11 | C12 | C13 | C14 | 179.5° | 180.0° |
| O11 | C12 | C18 | C17 | 180.0° | 179.5° |
| O11 | C12 | C13 | H1 | 0.5° | 0.3° |
| O11 | C12 | C18 | H7 | 0.0° | 0.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C13 | C12 | C18 | C17 | 0.2° | 0.5° |
| C12 | C13 | C14 | C15 | 0.6° | 0.2° |
| C12 | C13 | C14 | H6 | 179.4° | 179.7° |
| C13 | C12 | C18 | H7 | 179.8° | 180.0° |
| C18 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C18 | C17 | H7 | 180.0° | 179.5° |
| C12 | C18 | C17 | C15 | 0.4° | 0.7° |
| C18 | C12 | C13 | H1 | 179.7° | 179.7° |
| C12 | C18 | C17 | H5 | 179.6° | 179.8° |
| C13 | C14 | C15 | H6 | 180.0° | 179.8° |
| C13 | C14 | C15 | C17 | 0.4° | 0.1° |
| C13 | C14 | C15 | CL | 179.9° | 179.5° |
| C18 | C17 | C15 | C14 | 0.1° | 0.6° |
| C18 | C17 | C15 | H5 | 180.0° | 179.5° |
| C18 | C17 | C15 | CL | 179.6° | 179.9° |
| C14 | C15 | C17 | CL | 179.6° | 179.4° |
| C15 | C14 | C13 | H1 | 179.4° | 179.9° |
| C14 | C15 | C17 | H5 | 179.9° | 180.0° |
| C17 | C15 | C14 | H6 | 179.6° | 180.0° |
| C15 | C17 | C18 | H7 | 179.6° | 179.7° |
| CL | C15 | C17 | H5 | 0.4° | 0.6° |
| CL | C15 | C14 | H6 | 0.1° | 0.7° |
| H1 | C13 | C14 | H6 | 0.6° | 0.0° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H5 | C17 | C18 | H7 | 0.4° | 0.3° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | C04 | H13 | 174.2° | 60.0° |
| H11 | C03 | C04 | H14 | 65.7° | 180.0° |
| H12 | C03 | C04 | H13 | 65.9° | 180.0° |
| H12 | C03 | C04 | H14 | 54.2° | 60.0° |
| H13 | C04 | S05 | H21 | 60.1° | 60.0° |
| H14 | C04 | S05 | H21 | 60.1° | 60.0° |
| H15 | C06 | O07 | H20 | 65.8° | 180.0° |
| H16 | C09 | H17 | H18 | 120.0° | 120.0° |
