ZFG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N16 | sing | 1.47Å | 1.44Å | |
| N16 | C17 | sing | 1.47Å | 1.43Å | |
| N16 | C13 | sing | 1.40Å | 1.45Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.54Å | |
| C07 | C08 | doub | 1.36Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.37Å | 1.46Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.68Å | Aromatic |
| C06 | C05 | doub | 1.36Å | 1.41Å | Aromatic |
| S09 | C05 | sing | 1.76Å | 1.69Å | Aromatic |
| C05 | C03 | sing | 1.47Å | 1.53Å | |
| C03 | C02 | doub | 1.33Å | 1.38Å | |
| C03 | C04 | sing | 1.51Å | 1.52Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N16 | C17 | 119.6° | 120.0° |
| C18 | N16 | C13 | 120.3° | 120.0° |
| N16 | C18 | H17 | 109.5° | 109.5° |
| N16 | C18 | H18 | 109.5° | 109.5° |
| N16 | C18 | H19 | 109.5° | 109.5° |
| C17 | N16 | C13 | 120.1° | 120.0° |
| N16 | C17 | H14 | 109.5° | 109.5° |
| N16 | C17 | H15 | 109.5° | 109.4° |
| N16 | C17 | H16 | 109.4° | 109.5° |
| N16 | C13 | C12 | 120.5° | 119.9° |
| N16 | C13 | C14 | 120.0° | 119.9° |
| C13 | C12 | C11 | 120.6° | 120.1° |
| C12 | C13 | C14 | 119.5° | 120.1° |
| C13 | C12 | H2 | 119.7° | 120.0° |
| C12 | C11 | C10 | 119.9° | 119.9° |
| C12 | C11 | H1 | 120.0° | 120.1° |
| C11 | C12 | H2 | 119.7° | 119.9° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C13 | C14 | H3 | 120.0° | 119.9° |
| C11 | C10 | C15 | 119.5° | 119.8° |
| C11 | C10 | C08 | 121.4° | 120.1° |
| C10 | C11 | H1 | 120.0° | 120.0° |
| C14 | C15 | C10 | 120.5° | 119.9° |
| C15 | C14 | H3 | 120.0° | 119.9° |
| C14 | C15 | H4 | 119.7° | 120.1° |
| C15 | C10 | C08 | 119.1° | 120.1° |
| C10 | C15 | H4 | 119.7° | 120.0° |
| C10 | C08 | C07 | 127.9° | 125.1° |
| C10 | C08 | S09 | 126.5° | 125.2° |
| C08 | C07 | C06 | 114.2° | 114.7° |
| C07 | C08 | S09 | 105.6° | 109.7° |
| C08 | C07 | H13 | 122.9° | 122.7° |
| C07 | C06 | C05 | 113.2° | 114.6° |
| C07 | C06 | H12 | 123.4° | 122.7° |
| C06 | C07 | H13 | 122.9° | 122.6° |
| C08 | S09 | C05 | 100.8° | 91.2° |
| C06 | C05 | S09 | 106.2° | 109.7° |
| C06 | C05 | C03 | 129.2° | 125.1° |
| C05 | C06 | H12 | 123.4° | 122.7° |
| S09 | C05 | C03 | 124.6° | 125.2° |
| C05 | C03 | C02 | 124.3° | 120.0° |
| C05 | C03 | C04 | 117.4° | 120.0° |
| C02 | C03 | C04 | 118.3° | 120.0° |
| C03 | C02 | C01 | 116.7° | 120.0° |
| C03 | C02 | H8 | 121.7° | 120.0° |
| C03 | C04 | H9 | 109.5° | 109.4° |
| C03 | C04 | H10 | 109.4° | 109.5° |
| C03 | C04 | H11 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 121.7° | 120.0° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.4° |
| H9 | C04 | H11 | 109.5° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.4° | 109.4° |
| H14 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.4° | 109.4° |
| H17 | C18 | H19 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | N16 | C17 | C13 | 179.9° | 180.0° |
| C18 | N16 | C13 | C12 | 14.7° | 0.1° |
| C18 | N16 | C13 | C14 | 165.1° | 180.0° |
| C18 | N16 | C17 | H14 | 180.0° | 90.0° |
| C18 | N16 | C17 | H15 | 60.0° | 150.0° |
| C18 | N16 | C17 | H16 | 60.0° | 30.0° |
| N16 | C18 | H17 | H18 | 120.0° | 120.0° |
| N16 | C18 | H17 | H19 | 120.0° | 120.1° |
| N16 | C18 | H18 | H19 | 120.0° | 120.1° |
| C17 | N16 | C13 | C12 | 165.2° | 180.0° |
| C17 | N16 | C13 | C14 | 14.9° | 0.1° |
| N16 | C17 | H14 | H15 | 120.0° | 120.0° |
| N16 | C17 | H14 | H16 | 120.0° | 120.1° |
| N16 | C17 | H15 | H16 | 120.0° | 120.0° |
| C17 | N16 | C18 | H17 | 180.0° | 90.0° |
| C17 | N16 | C18 | H18 | 60.0° | 150.0° |
| C17 | N16 | C18 | H19 | 60.0° | 30.0° |
| N16 | C13 | C12 | C14 | 179.8° | 179.9° |
| N16 | C13 | C12 | C11 | 179.9° | 180.0° |
| N16 | C13 | C14 | C15 | 179.9° | 180.0° |
| N16 | C13 | C12 | H2 | 0.0° | 0.1° |
| N16 | C13 | C14 | H3 | 0.1° | 0.0° |
| C13 | N16 | C17 | H14 | 0.1° | 90.0° |
| C13 | N16 | C17 | H15 | 119.9° | 30.0° |
| C13 | N16 | C17 | H16 | 120.1° | 150.0° |
| C13 | N16 | C18 | H17 | 0.1° | 90.0° |
| C13 | N16 | C18 | H18 | 120.1° | 30.0° |
| C13 | N16 | C18 | H19 | 119.9° | 150.0° |
| C13 | C12 | C11 | H2 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C12 | C11 | H1 | 179.9° | 179.7° |
| C12 | C13 | C14 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C12 | C11 | C10 | C15 | 0.1° | 0.1° |
| C12 | C11 | C10 | C08 | 179.7° | 179.8° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.0° | 0.0° |
| C14 | C13 | C12 | H2 | 179.9° | 180.0° |
| C13 | C14 | C15 | H4 | 180.0° | 179.9° |
| C11 | C10 | C15 | C14 | 0.1° | 0.1° |
| C11 | C10 | C15 | C08 | 179.6° | 179.9° |
| C11 | C10 | C08 | C07 | 29.9° | 180.0° |
| C11 | C10 | C08 | S09 | 151.5° | 0.2° |
| C10 | C11 | C12 | H2 | 179.8° | 179.9° |
| C11 | C10 | C15 | H4 | 179.9° | 180.0° |
| C14 | C15 | C10 | H4 | 180.0° | 179.9° |
| C14 | C15 | C10 | C08 | 179.7° | 179.8° |
| C15 | C10 | C08 | C07 | 149.7° | 0.2° |
| C15 | C10 | C08 | S09 | 28.9° | 179.9° |
| C15 | C10 | C11 | H1 | 179.9° | 179.7° |
| C10 | C15 | C14 | H3 | 180.0° | 180.0° |
| C10 | C08 | C07 | S09 | 178.8° | 179.8° |
| C10 | C08 | C07 | C06 | 179.3° | 180.0° |
| C10 | C08 | S09 | C05 | 179.2° | 179.9° |
| C08 | C10 | C11 | H1 | 0.3° | 0.1° |
| C08 | C10 | C15 | H4 | 0.3° | 0.1° |
| C10 | C08 | C07 | H13 | 0.7° | 0.2° |
| C08 | C07 | C06 | H13 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C07 | C08 | S09 | C05 | 0.4° | 0.3° |
| C08 | C07 | C06 | H12 | 179.5° | 180.0° |
| C06 | C07 | C08 | S09 | 0.5° | 0.2° |
| C07 | C06 | C05 | H12 | 180.0° | 180.0° |
| C07 | C06 | C05 | S09 | 0.2° | 0.2° |
| C07 | C06 | C05 | C03 | 179.9° | 180.0° |
| C08 | S09 | C05 | C06 | 0.1° | 0.3° |
| C08 | S09 | C05 | C03 | 179.8° | 179.9° |
| S09 | C08 | C07 | H13 | 179.5° | 180.0° |
| C06 | C05 | S09 | C03 | 179.9° | 179.8° |
| C06 | C05 | C03 | C02 | 20.5° | 114.9° |
| C06 | C05 | C03 | C04 | 160.3° | 65.0° |
| C05 | C06 | C07 | H13 | 179.5° | 179.8° |
| S09 | C05 | C03 | C02 | 159.7° | 65.3° |
| S09 | C05 | C03 | C04 | 19.6° | 114.7° |
| S09 | C05 | C06 | H12 | 179.8° | 179.8° |
| C05 | C03 | C02 | C04 | 179.2° | 180.0° |
| C05 | C03 | C02 | C01 | 179.3° | 179.9° |
| C05 | C03 | C02 | H8 | 0.7° | 0.0° |
| C05 | C03 | C04 | H9 | 180.0° | 90.0° |
| C05 | C03 | C04 | H10 | 60.0° | 30.0° |
| C05 | C03 | C04 | H11 | 60.0° | 150.0° |
| C03 | C05 | C06 | H12 | 0.1° | 0.0° |
| C03 | C02 | C01 | H8 | 180.0° | 179.9° |
| C03 | C02 | C01 | H5 | 180.0° | 59.9° |
| C03 | C02 | C01 | H6 | 60.0° | 60.1° |
| C03 | C02 | C01 | H7 | 60.0° | 180.0° |
| C02 | C03 | C04 | H9 | 0.7° | 90.1° |
| C02 | C03 | C04 | H10 | 119.3° | 150.0° |
| C02 | C03 | C04 | H11 | 120.7° | 29.9° |
| C04 | C03 | C02 | C01 | 0.1° | 0.1° |
| C04 | C03 | C02 | H8 | 179.9° | 180.0° |
| C03 | C04 | H9 | H10 | 120.0° | 120.0° |
| C03 | C04 | H9 | H11 | 120.0° | 120.0° |
| C03 | C04 | H10 | H11 | 120.0° | 120.1° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.1° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| H1 | C11 | C12 | H2 | 0.1° | 0.2° |
| H3 | C14 | C15 | H4 | 0.0° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H5 | C01 | C02 | H8 | 0.0° | 120.0° |
| H6 | C01 | C02 | H8 | 120.0° | 120.0° |
| H7 | C01 | C02 | H8 | 120.0° | 0.1° |
| H9 | C04 | H10 | H11 | 120.0° | 120.0° |
| H12 | C06 | C07 | H13 | 0.5° | 0.3° |
| H14 | C17 | H15 | H16 | 120.0° | 120.0° |
| H17 | C18 | H18 | H19 | 120.0° | 119.9° |
