ZUF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C16 | sing | 1.74Å | 1.77Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.32Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| N18 | C13 | doub | 1.32Å | 1.32Å | Aromatic |
| S09 | C08 | sing | 1.76Å | 1.73Å | Aromatic |
| S09 | C10 | sing | 1.76Å | 1.74Å | Aromatic |
| C08 | C07 | doub | 1.35Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | N12 | sing | 1.39Å | 1.45Å | |
| C10 | N12 | sing | 1.39Å | 1.45Å | |
| C10 | N11 | doub | 1.30Å | 1.32Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | N11 | sing | 1.33Å | 1.32Å | Aromatic |
| C07 | C05 | sing | 1.48Å | 1.39Å | |
| C01 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | N04 | doub | 1.33Å | 1.32Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.33Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C16 | C17 | 119.5° | 120.4° |
| CL1 | C16 | C15 | 119.4° | 120.3° |
| C16 | C17 | N18 | 119.9° | 120.9° |
| C17 | C16 | C15 | 121.0° | 119.3° |
| C16 | C17 | H3 | 120.1° | 119.5° |
| C17 | N18 | C13 | 121.8° | 121.6° |
| N18 | C17 | H3 | 120.1° | 119.6° |
| C16 | C15 | C14 | 116.6° | 118.5° |
| C16 | C15 | H2 | 121.7° | 120.8° |
| N18 | C13 | C14 | 120.1° | 120.6° |
| N18 | C13 | N12 | 121.1° | 119.7° |
| C08 | S09 | C10 | 94.1° | 90.1° |
| S09 | C08 | C07 | 105.2° | 108.3° |
| S09 | C08 | H8 | 127.4° | 125.9° |
| S09 | C10 | N12 | 127.3° | 125.3° |
| S09 | C10 | N11 | 107.2° | 109.5° |
| C08 | C07 | N11 | 116.5° | 115.2° |
| C08 | C07 | C05 | 120.3° | 122.4° |
| C07 | C08 | H8 | 127.4° | 125.8° |
| C15 | C14 | C13 | 120.6° | 119.2° |
| C14 | C15 | H2 | 121.7° | 120.8° |
| C15 | C14 | H9 | 119.7° | 120.4° |
| C14 | C13 | N12 | 118.8° | 119.7° |
| C13 | C14 | H9 | 119.7° | 120.4° |
| C13 | N12 | C10 | 121.5° | 120.0° |
| C13 | N12 | H1 | 119.2° | 120.0° |
| N12 | C10 | N11 | 125.5° | 125.2° |
| C10 | N12 | H1 | 119.3° | 120.0° |
| C10 | N11 | C07 | 117.0° | 116.9° |
| C01 | C06 | C05 | 121.3° | 119.0° |
| C06 | C01 | C02 | 117.1° | 118.5° |
| C06 | C01 | H4 | 121.4° | 120.7° |
| C01 | C06 | H7 | 119.4° | 120.5° |
| C06 | C05 | C07 | 118.6° | 119.8° |
| C06 | C05 | N04 | 119.9° | 120.6° |
| C05 | C06 | H7 | 119.4° | 120.5° |
| N11 | C07 | C05 | 123.2° | 122.4° |
| C07 | C05 | N04 | 121.4° | 119.7° |
| C01 | C02 | C03 | 119.1° | 119.4° |
| C02 | C01 | H4 | 121.4° | 120.7° |
| C01 | C02 | H5 | 120.4° | 120.3° |
| C05 | N04 | C03 | 120.7° | 121.5° |
| C02 | C03 | N04 | 121.8° | 120.9° |
| C03 | C02 | H5 | 120.4° | 120.3° |
| C02 | C03 | H6 | 119.1° | 119.5° |
| N04 | C03 | H6 | 119.1° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C16 | C17 | C15 | 180.0° | 179.2° |
| CL1 | C16 | C17 | N18 | 180.0° | 180.0° |
| CL1 | C16 | C15 | C14 | 179.4° | 179.7° |
| CL1 | C16 | C15 | H2 | 0.6° | 0.2° |
| CL1 | C16 | C17 | H3 | 0.0° | 0.8° |
| C16 | C17 | N18 | H3 | 180.0° | 179.2° |
| C16 | C17 | N18 | C13 | 0.6° | 0.5° |
| C17 | C16 | C15 | C14 | 0.5° | 0.5° |
| C17 | C16 | C15 | H2 | 179.5° | 179.5° |
| N18 | C17 | C16 | C15 | 0.0° | 0.8° |
| C17 | N18 | C13 | C14 | 0.7° | 0.0° |
| C17 | N18 | C13 | N12 | 179.4° | 179.8° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.5° | 0.1° |
| C15 | C16 | C17 | H3 | 180.0° | 180.0° |
| C16 | C15 | C14 | H9 | 179.5° | 179.9° |
| N18 | C13 | C14 | C15 | 0.1° | 0.3° |
| N18 | C13 | C14 | N12 | 179.9° | 179.7° |
| N18 | C13 | N12 | C10 | 22.9° | 5.1° |
| N18 | C13 | N12 | H1 | 157.1° | 174.9° |
| C13 | N18 | C17 | H3 | 179.4° | 179.7° |
| N18 | C13 | C14 | H9 | 179.9° | 179.8° |
| S09 | C08 | C07 | H8 | 180.0° | 179.8° |
| C08 | S09 | C10 | N12 | 179.6° | 180.0° |
| C08 | S09 | C10 | N11 | 0.1° | 0.3° |
| S09 | C08 | C07 | N11 | 0.5° | 0.1° |
| S09 | C08 | C07 | C05 | 178.7° | 179.8° |
| C10 | S09 | C08 | C07 | 0.3° | 0.2° |
| S09 | C10 | N12 | C13 | 21.6° | 5.1° |
| S09 | C10 | N12 | N11 | 179.6° | 179.7° |
| S09 | C10 | N11 | C07 | 0.2° | 0.3° |
| S09 | C10 | N12 | H1 | 158.4° | 175.0° |
| C10 | S09 | C08 | H8 | 179.7° | 180.0° |
| C08 | C07 | N11 | C10 | 0.5° | 0.1° |
| C08 | C07 | C05 | C06 | 10.8° | 179.9° |
| C08 | C07 | N11 | C05 | 178.1° | 179.9° |
| C08 | C07 | C05 | N04 | 165.9° | 0.1° |
| C15 | C14 | C13 | H9 | 180.0° | 179.9° |
| C15 | C14 | C13 | N12 | 180.0° | 179.9° |
| C14 | C13 | N12 | C10 | 157.2° | 174.7° |
| C14 | C13 | N12 | H1 | 22.8° | 5.3° |
| C13 | C14 | C15 | H2 | 179.5° | 180.0° |
| C13 | N12 | C10 | H1 | 180.0° | 180.0° |
| C13 | N12 | C10 | N11 | 158.8° | 174.6° |
| N12 | C13 | C14 | H9 | 0.0° | 0.1° |
| N12 | C10 | N11 | C07 | 179.9° | 180.0° |
| C10 | N11 | C07 | C05 | 178.7° | 180.0° |
| N11 | C10 | N12 | H1 | 21.2° | 5.4° |
| C01 | C06 | C05 | H7 | 180.0° | 179.5° |
| C01 | C06 | C05 | C07 | 178.7° | 179.7° |
| C06 | C01 | C02 | H4 | 180.0° | 179.8° |
| C01 | C06 | C05 | N04 | 1.9° | 0.5° |
| C06 | C01 | C02 | C03 | 0.4° | 0.3° |
| C06 | C01 | C02 | H5 | 179.7° | 179.8° |
| C06 | C05 | C07 | N11 | 171.1° | 0.2° |
| C06 | C05 | C07 | N04 | 176.8° | 179.8° |
| C05 | C06 | C01 | C02 | 0.9° | 0.5° |
| C06 | C05 | N04 | C03 | 1.7° | 0.3° |
| C05 | C06 | C01 | H4 | 179.1° | 179.7° |
| N11 | C07 | C05 | N04 | 12.1° | 180.0° |
| N11 | C07 | C08 | H8 | 179.5° | 179.9° |
| C07 | C05 | N04 | C03 | 178.4° | 180.0° |
| C07 | C05 | C06 | H7 | 1.3° | 0.2° |
| C05 | C07 | C08 | H8 | 1.3° | 0.0° |
| C01 | C02 | C03 | H5 | 180.0° | 179.9° |
| C01 | C02 | C03 | N04 | 0.6° | 0.0° |
| C01 | C02 | C03 | H6 | 179.4° | 180.0° |
| C02 | C01 | C06 | H7 | 179.1° | 180.0° |
| C05 | N04 | C03 | C02 | 0.4° | 0.0° |
| C05 | N04 | C03 | H6 | 179.6° | 180.0° |
| N04 | C05 | C06 | H7 | 178.1° | 180.0° |
| C02 | C03 | N04 | H6 | 180.0° | 180.0° |
| C03 | C02 | C01 | H4 | 179.7° | 180.0° |
| N04 | C03 | C02 | H5 | 179.4° | 180.0° |
| H2 | C15 | C14 | H9 | 0.5° | 0.1° |
| H4 | C01 | C02 | H5 | 0.3° | 0.0° |
| H4 | C01 | C06 | H7 | 0.9° | 0.2° |
| H5 | C02 | C03 | H6 | 0.6° | 0.1° |
