Z5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.52Å | 1.54Å | |
| O09 | C08 | doub | 1.22Å | 1.20Å | |
| S12 | C13 | sing | 1.76Å | 1.73Å | Aromatic |
| S12 | C11 | sing | 1.70Å | 1.73Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C13 | C18 | doub | 1.34Å | 1.38Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C05 | sing | 1.48Å | 1.53Å | |
| C08 | N10 | sing | 1.35Å | 1.46Å | |
| C03 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.45Å | |
| C11 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.45Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.52Å | 1.54Å | |
| C19 | C20 | sing | 1.46Å | 1.55Å | |
| C02 | CL01 | sing | 1.74Å | 1.79Å | |
| C02 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | O22 | doub | 1.22Å | 1.25Å | |
| C20 | O21 | sing | 1.35Å | 1.25Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| O21 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 114.1° | 108.8° |
| C14 | C15 | C16 | 113.4° | 109.0° |
| C15 | C14 | H5 | 108.3° | 109.6° |
| C15 | C14 | H6 | 108.3° | 109.6° |
| C14 | C15 | H7 | 108.5° | 109.5° |
| C14 | C15 | H8 | 108.5° | 109.5° |
| C14 | C13 | S12 | 129.5° | 124.9° |
| C14 | C13 | C18 | 123.6° | 124.3° |
| C13 | C14 | H5 | 108.3° | 109.6° |
| C13 | C14 | H6 | 108.3° | 109.6° |
| O09 | C08 | C05 | 119.5° | 120.0° |
| O09 | C08 | N10 | 121.7° | 120.0° |
| C13 | S12 | C11 | 96.4° | 92.7° |
| S12 | C13 | C18 | 107.0° | 110.9° |
| S12 | C11 | N10 | 128.5° | 124.6° |
| S12 | C11 | C19 | 106.1° | 110.7° |
| C15 | C16 | C17 | 112.6° | 109.2° |
| C16 | C15 | H7 | 108.5° | 109.6° |
| C16 | C15 | H8 | 108.5° | 109.6° |
| C15 | C16 | H9 | 108.7° | 109.6° |
| C15 | C16 | H10 | 108.7° | 109.5° |
| C13 | C18 | C19 | 114.8° | 112.3° |
| C13 | C18 | C17 | 121.5° | 123.6° |
| C03 | C04 | C05 | 119.7° | 119.9° |
| C04 | C03 | C02 | 119.8° | 120.1° |
| C04 | C03 | H1 | 120.1° | 120.0° |
| C03 | C04 | H2 | 120.1° | 120.0° |
| C04 | C05 | C08 | 120.1° | 120.2° |
| C04 | C05 | C06 | 120.5° | 119.7° |
| C05 | C04 | H2 | 120.2° | 120.0° |
| C05 | C08 | N10 | 118.8° | 120.0° |
| C08 | C05 | C06 | 119.4° | 120.1° |
| C08 | N10 | C11 | 123.3° | 120.0° |
| C08 | N10 | H13 | 118.4° | 120.0° |
| C03 | C02 | CL01 | 119.9° | 119.9° |
| C03 | C02 | C07 | 120.4° | 120.3° |
| C02 | C03 | H1 | 120.1° | 119.9° |
| N10 | C11 | C19 | 125.4° | 124.7° |
| C11 | N10 | H13 | 118.3° | 119.9° |
| C11 | C19 | C18 | 115.7° | 113.4° |
| C11 | C19 | C20 | 121.6° | 123.3° |
| C16 | C17 | C18 | 112.5° | 108.7° |
| C17 | C16 | H9 | 108.7° | 109.5° |
| C17 | C16 | H10 | 108.7° | 109.4° |
| C16 | C17 | H11 | 108.7° | 109.6° |
| C16 | C17 | H12 | 108.7° | 109.6° |
| C05 | C06 | C07 | 119.8° | 119.9° |
| C05 | C06 | H3 | 120.1° | 120.0° |
| C19 | C18 | C17 | 123.8° | 124.1° |
| C18 | C19 | C20 | 122.7° | 123.3° |
| C18 | C17 | H11 | 108.7° | 109.6° |
| C18 | C17 | H12 | 108.7° | 109.7° |
| C19 | C20 | O22 | 119.9° | 120.0° |
| C19 | C20 | O21 | 120.2° | 120.0° |
| CL01 | C02 | C07 | 119.7° | 119.8° |
| C02 | C07 | C06 | 119.8° | 120.1° |
| C02 | C07 | H4 | 120.1° | 119.9° |
| C07 | C06 | H3 | 120.1° | 120.1° |
| C06 | C07 | H4 | 120.1° | 119.9° |
| O22 | C20 | O21 | 119.8° | 120.0° |
| C20 | O21 | H14 | 109.5° | 117.0° |
| H5 | C14 | H6 | 109.5° | 109.7° |
| H7 | C15 | H8 | 109.5° | 109.6° |
| H9 | C16 | H10 | 109.4° | 109.6° |
| H11 | C17 | H12 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H5 | 120.7° | 119.8° |
| C15 | C14 | C13 | H6 | 120.7° | 119.7° |
| C15 | C14 | C13 | S12 | 176.6° | 163.3° |
| C14 | C15 | C16 | H7 | 120.6° | 119.8° |
| C14 | C15 | C16 | H8 | 120.6° | 119.8° |
| C15 | C14 | C13 | C18 | 3.2° | 16.7° |
| C14 | C15 | C16 | C17 | 53.6° | 70.4° |
| C15 | C14 | H5 | H6 | 117.9° | 120.3° |
| C14 | C15 | H7 | H8 | 118.2° | 120.2° |
| C14 | C15 | C16 | H9 | 174.1° | 49.6° |
| C14 | C15 | C16 | H10 | 66.8° | 169.8° |
| C14 | C13 | S12 | C18 | 179.8° | 180.0° |
| C14 | C13 | S12 | C11 | 179.9° | 179.8° |
| C13 | C14 | C15 | C16 | 29.6° | 50.0° |
| C14 | C13 | C18 | C19 | 180.0° | 180.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.1° |
| C13 | C14 | H5 | H6 | 117.9° | 120.4° |
| C13 | C14 | C15 | H7 | 90.9° | 169.9° |
| C13 | C14 | C15 | H8 | 150.3° | 69.9° |
| O09 | C08 | C05 | C04 | 21.1° | 0.0° |
| O09 | C08 | C05 | N10 | 179.8° | 180.0° |
| O09 | C08 | N10 | C11 | 0.1° | 0.0° |
| O09 | C08 | C05 | C06 | 158.9° | 179.9° |
| O09 | C08 | N10 | H13 | 179.9° | 179.9° |
| C13 | S12 | C11 | N10 | 179.7° | 180.0° |
| C13 | S12 | C11 | C19 | 0.1° | 0.3° |
| S12 | C13 | C18 | C19 | 0.1° | 0.1° |
| S12 | C13 | C18 | C17 | 179.8° | 179.9° |
| S12 | C13 | C14 | H5 | 62.7° | 76.9° |
| S12 | C13 | C14 | H6 | 55.9° | 43.5° |
| C11 | S12 | C13 | C18 | 0.0° | 0.2° |
| S12 | C11 | N10 | C08 | 8.6° | 0.3° |
| S12 | C11 | N10 | C19 | 179.5° | 179.7° |
| S12 | C11 | C19 | C18 | 0.1° | 0.3° |
| S12 | C11 | C19 | C20 | 179.9° | 179.8° |
| S12 | C11 | N10 | H13 | 171.3° | 179.7° |
| C15 | C16 | C17 | H9 | 120.5° | 120.0° |
| C15 | C16 | C17 | H10 | 120.5° | 119.8° |
| C15 | C16 | C17 | C18 | 49.3° | 50.7° |
| C16 | C15 | C14 | H5 | 91.0° | 69.8° |
| C16 | C15 | C14 | H6 | 150.3° | 169.8° |
| C16 | C15 | H7 | H8 | 118.2° | 120.3° |
| C15 | C16 | H9 | H10 | 118.6° | 120.2° |
| C15 | C16 | C17 | H11 | 71.2° | 170.4° |
| C15 | C16 | C17 | H12 | 169.8° | 69.2° |
| C13 | C18 | C19 | C11 | 0.2° | 0.1° |
| C13 | C18 | C17 | C16 | 23.0° | 17.1° |
| C13 | C18 | C19 | C17 | 179.7° | 180.0° |
| C13 | C18 | C19 | C20 | 179.9° | 179.9° |
| C18 | C13 | C14 | H5 | 117.5° | 103.1° |
| C18 | C13 | C14 | H6 | 123.9° | 136.4° |
| C13 | C18 | C17 | H11 | 97.4° | 136.9° |
| C13 | C18 | C17 | H12 | 143.5° | 102.7° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | C08 | 180.0° | 180.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C02 | CL01 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.1° | 0.2° |
| C04 | C05 | C08 | C06 | 179.9° | 180.0° |
| C04 | C05 | C08 | N10 | 158.6° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.2° |
| C05 | C04 | C03 | H1 | 180.0° | 180.0° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C05 | C08 | N10 | C11 | 179.7° | 180.0° |
| C08 | C05 | C06 | C07 | 180.0° | 179.8° |
| C08 | C05 | C04 | H2 | 0.0° | 0.0° |
| C08 | C05 | C06 | H3 | 0.0° | 0.0° |
| C05 | C08 | N10 | H13 | 0.3° | 0.0° |
| C08 | N10 | C11 | H13 | 180.0° | 180.0° |
| C08 | N10 | C11 | C19 | 171.8° | 180.0° |
| N10 | C08 | C05 | C06 | 21.3° | 0.0° |
| C03 | C02 | CL01 | C07 | 179.9° | 179.7° |
| C03 | C02 | C07 | C06 | 0.1° | 0.5° |
| C02 | C03 | C04 | H2 | 179.9° | 180.0° |
| C03 | C02 | C07 | H4 | 179.9° | 179.7° |
| N10 | C11 | C19 | C18 | 179.8° | 180.0° |
| N10 | C11 | C19 | C20 | 0.3° | 0.0° |
| C11 | C19 | C18 | C20 | 179.9° | 180.0° |
| C11 | C19 | C18 | C17 | 179.9° | 179.9° |
| C11 | C19 | C20 | O22 | 58.0° | 90.0° |
| C11 | C19 | C20 | O21 | 121.6° | 90.0° |
| C19 | C11 | N10 | H13 | 8.2° | 0.0° |
| C16 | C17 | C18 | C19 | 156.6° | 162.9° |
| C16 | C17 | C18 | H11 | 120.5° | 119.8° |
| C16 | C17 | C18 | H12 | 120.5° | 119.9° |
| C17 | C16 | C15 | H7 | 66.9° | 169.8° |
| C17 | C16 | C15 | H8 | 174.3° | 49.5° |
| C17 | C16 | H9 | H10 | 118.6° | 120.1° |
| C16 | C17 | H11 | H12 | 118.6° | 120.3° |
| C05 | C06 | C07 | C02 | 0.1° | 0.5° |
| C05 | C06 | C07 | H3 | 180.0° | 179.8° |
| C06 | C05 | C04 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | H4 | 179.9° | 179.7° |
| C18 | C19 | C20 | O22 | 122.0° | 90.0° |
| C18 | C19 | C20 | O21 | 58.5° | 90.0° |
| C19 | C18 | C17 | H11 | 82.9° | 43.1° |
| C19 | C18 | C17 | H12 | 36.2° | 77.3° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C18 | C17 | C16 | H9 | 169.8° | 69.3° |
| C18 | C17 | C16 | H10 | 71.2° | 170.5° |
| C18 | C17 | H11 | H12 | 118.6° | 120.4° |
| C19 | C20 | O22 | O21 | 179.6° | 180.0° |
| C19 | C20 | O21 | H14 | 179.5° | 180.0° |
| CL01 | C02 | C07 | C06 | 180.0° | 179.8° |
| CL01 | C02 | C03 | H1 | 0.0° | 0.0° |
| CL01 | C02 | C07 | H4 | 0.0° | 0.0° |
| C02 | C07 | C06 | H4 | 180.0° | 179.8° |
| C07 | C02 | C03 | H1 | 179.9° | 179.8° |
| C02 | C07 | C06 | H3 | 179.9° | 179.8° |
| O22 | C20 | O21 | H14 | 0.0° | 0.0° |
| H1 | C03 | C04 | H2 | 0.1° | 0.0° |
| H3 | C06 | C07 | H4 | 0.1° | 0.1° |
| H5 | C14 | C15 | H7 | 148.4° | 50.1° |
| H5 | C14 | C15 | H8 | 29.6° | 170.3° |
| H6 | C14 | C15 | H7 | 29.8° | 70.3° |
| H6 | C14 | C15 | H8 | 89.1° | 49.9° |
| H7 | C15 | C16 | H9 | 53.5° | 70.2° |
| H7 | C15 | C16 | H10 | 172.6° | 50.0° |
| H8 | C15 | C16 | H9 | 65.3° | 169.4° |
| H8 | C15 | C16 | H10 | 53.8° | 70.3° |
| H9 | C16 | C17 | H11 | 49.3° | 50.5° |
| H9 | C16 | C17 | H12 | 69.8° | 170.8° |
| H10 | C16 | C17 | H11 | 168.3° | 69.7° |
| H10 | C16 | C17 | H12 | 49.3° | 50.6° |
