ZVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N09 | sing | 1.46Å | 1.55Å | |
| C15 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.45Å | |
| C06 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| N07 | C08 | doub | 1.31Å | 1.46Å | |
| C08 | N09 | sing | 1.37Å | 1.56Å | |
| C08 | S13 | sing | 1.76Å | 1.60Å | |
| C11 | C12 | sing | 1.53Å | 1.32Å | |
| C12 | S13 | sing | 1.81Å | 1.75Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| 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 | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N09 | C08 | 120.8° | 120.0° |
| N09 | C10 | H1 | 109.5° | 109.5° |
| N09 | C10 | H2 | 109.4° | 109.5° |
| N09 | C10 | H3 | 109.5° | 109.5° |
| C10 | N09 | H12 | 119.6° | 120.0° |
| C03 | C15 | C14 | 120.1° | 120.1° |
| C15 | C03 | C02 | 120.1° | 119.8° |
| C15 | C03 | C04 | 120.0° | 120.3° |
| C03 | C15 | H4 | 120.0° | 119.9° |
| C15 | C14 | C06 | 120.0° | 119.9° |
| C14 | C15 | H4 | 119.9° | 119.9° |
| C15 | C14 | H18 | 120.0° | 120.1° |
| C01 | C02 | C03 | 112.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.4° | 109.5° |
| C01 | C02 | H8 | 108.7° | 109.5° |
| C01 | C02 | H9 | 108.7° | 109.5° |
| C02 | C03 | C04 | 119.9° | 119.8° |
| C03 | C02 | H8 | 108.7° | 109.4° |
| C03 | C02 | H9 | 108.7° | 109.4° |
| C03 | C04 | C05 | 119.9° | 120.1° |
| C03 | C04 | H10 | 120.0° | 119.9° |
| C04 | C05 | C06 | 120.2° | 119.9° |
| C05 | C04 | H10 | 120.1° | 119.9° |
| C04 | C05 | H11 | 119.9° | 120.1° |
| C05 | C06 | N07 | 121.7° | 120.2° |
| C05 | C06 | C14 | 119.8° | 119.7° |
| C06 | C05 | H11 | 119.9° | 120.1° |
| N07 | C06 | C14 | 118.5° | 120.1° |
| C06 | N07 | C08 | 125.9° | 120.0° |
| C06 | C14 | H18 | 120.0° | 120.1° |
| N07 | C08 | N09 | 117.9° | 120.1° |
| N07 | C08 | S13 | 121.6° | 120.0° |
| N09 | C08 | S13 | 120.4° | 120.0° |
| C08 | N09 | H12 | 119.6° | 120.0° |
| C08 | S13 | C12 | 112.7° | 100.0° |
| C11 | C12 | S13 | 111.5° | 109.5° |
| C12 | C11 | H13 | 109.5° | 109.4° |
| C12 | C11 | H14 | 109.5° | 109.5° |
| C12 | C11 | H15 | 109.4° | 109.4° |
| C11 | C12 | H16 | 109.0° | 109.5° |
| C11 | C12 | H17 | 108.9° | 109.4° |
| S13 | C12 | H16 | 109.0° | 109.5° |
| S13 | C12 | H17 | 109.0° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N09 | C08 | N07 | 179.8° | 173.9° |
| C10 | N09 | C08 | H12 | 180.0° | 179.9° |
| C10 | N09 | C08 | S13 | 0.8° | 6.1° |
| N09 | C10 | H1 | H2 | 120.0° | 120.0° |
| N09 | C10 | H1 | H3 | 120.0° | 120.1° |
| N09 | C10 | H2 | H3 | 120.0° | 120.1° |
| C03 | C15 | C14 | H4 | 180.0° | 179.7° |
| C15 | C03 | C02 | C01 | 75.1° | 90.0° |
| C15 | C03 | C02 | C04 | 179.4° | 180.0° |
| C15 | C03 | C04 | C05 | 0.7° | 0.0° |
| C03 | C15 | C14 | C06 | 0.5° | 0.0° |
| C15 | C03 | C02 | H8 | 164.5° | 30.0° |
| C15 | C03 | C02 | H9 | 45.4° | 150.0° |
| C15 | C03 | C04 | H10 | 179.3° | 179.9° |
| C03 | C15 | C14 | H18 | 179.5° | 180.0° |
| C14 | C15 | C03 | C02 | 179.4° | 180.0° |
| C14 | C15 | C03 | C04 | 0.1° | 0.0° |
| C15 | C14 | C06 | C05 | 1.5° | 0.0° |
| C15 | C14 | C06 | N07 | 178.9° | 180.0° |
| C15 | C14 | C06 | H18 | 180.0° | 180.0° |
| C01 | C02 | C03 | H8 | 120.4° | 120.0° |
| C01 | C02 | C03 | H9 | 120.5° | 120.0° |
| C01 | C02 | C03 | C04 | 104.3° | 90.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | H8 | H9 | 118.6° | 120.1° |
| C02 | C03 | C04 | C05 | 179.9° | 180.0° |
| C02 | C03 | C15 | H4 | 0.6° | 0.3° |
| C03 | C02 | C01 | H5 | 180.0° | 60.0° |
| C03 | C02 | C01 | H6 | 60.0° | 180.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | H8 | H9 | 118.6° | 119.9° |
| C02 | C03 | C04 | H10 | 0.0° | 0.0° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.7° | 0.0° |
| C04 | C03 | C15 | H4 | 180.0° | 179.7° |
| C04 | C03 | C02 | H8 | 16.2° | 150.0° |
| C04 | C03 | C02 | H9 | 135.2° | 30.0° |
| C03 | C04 | C05 | H11 | 178.2° | 180.0° |
| C04 | C05 | C06 | H11 | 180.0° | 180.0° |
| C04 | C05 | C06 | N07 | 179.4° | 180.0° |
| C04 | C05 | C06 | C14 | 2.1° | 0.0° |
| C05 | C06 | N07 | C14 | 177.3° | 180.0° |
| C05 | C06 | N07 | C08 | 58.6° | 124.4° |
| C06 | C05 | C04 | H10 | 178.3° | 180.0° |
| C05 | C06 | C14 | H18 | 178.5° | 180.0° |
| C06 | N07 | C08 | N09 | 179.3° | 177.8° |
| C06 | N07 | C08 | S13 | 1.6° | 2.2° |
| N07 | C06 | C05 | H11 | 0.5° | 0.0° |
| N07 | C06 | C14 | H18 | 1.1° | 0.0° |
| C14 | C06 | N07 | C08 | 124.0° | 55.6° |
| C06 | C14 | C15 | H4 | 179.5° | 179.7° |
| C14 | C06 | C05 | H11 | 177.8° | 180.0° |
| N07 | C08 | N09 | S13 | 179.1° | 180.0° |
| N07 | C08 | S13 | C12 | 171.5° | 150.2° |
| N07 | C08 | N09 | H12 | 0.2° | 6.0° |
| N09 | C08 | S13 | C12 | 9.5° | 29.8° |
| C08 | N09 | C10 | H1 | 180.0° | 33.7° |
| C08 | N09 | C10 | H2 | 60.0° | 153.6° |
| C08 | N09 | C10 | H3 | 60.0° | 86.3° |
| C08 | S13 | C12 | C11 | 44.5° | 153.1° |
| S13 | C08 | N09 | H12 | 179.3° | 174.0° |
| C08 | S13 | C12 | H16 | 164.8° | 33.1° |
| C08 | S13 | C12 | H17 | 75.8° | 86.9° |
| C11 | C12 | S13 | H16 | 120.3° | 120.0° |
| C11 | C12 | S13 | H17 | 120.3° | 120.0° |
| C12 | C11 | H13 | H14 | 120.0° | 120.0° |
| C12 | C11 | H13 | H15 | 120.0° | 120.0° |
| C12 | C11 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 119.0° | 120.0° |
| S13 | C12 | C11 | H13 | 180.0° | 60.0° |
| S13 | C12 | C11 | H14 | 60.0° | 180.0° |
| S13 | C12 | C11 | H15 | 60.0° | 60.0° |
| S13 | C12 | H16 | H17 | 119.1° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H1 | C10 | N09 | H12 | 0.0° | 146.3° |
| H2 | C10 | N09 | H12 | 120.0° | 26.3° |
| H3 | C10 | N09 | H12 | 120.0° | 93.7° |
| H4 | C15 | C14 | H18 | 0.5° | 0.3° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H5 | C01 | C02 | H8 | 59.6° | 180.0° |
| H5 | C01 | C02 | H9 | 59.5° | 59.9° |
| H6 | C01 | C02 | H8 | 60.4° | 60.0° |
| H6 | C01 | C02 | H9 | 179.5° | 60.1° |
| H7 | C01 | C02 | H8 | 179.6° | 60.0° |
| H7 | C01 | C02 | H9 | 60.5° | 179.9° |
| H10 | C04 | C05 | H11 | 1.7° | 0.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.1° |
| H13 | C11 | C12 | H16 | 59.7° | 180.0° |
| H13 | C11 | C12 | H17 | 59.7° | 60.0° |
| H14 | C11 | C12 | H16 | 60.3° | 60.0° |
| H14 | C11 | C12 | H17 | 179.7° | 60.0° |
| H15 | C11 | C12 | H16 | 179.7° | 60.0° |
| H15 | C11 | C12 | H17 | 60.3° | 180.0° |
