ZK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C2 | sing | 1.40Å | 1.41Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| N3 | C12 | sing | 1.35Å | 1.35Å | |
| C12 | O2 | doub | 1.22Å | 1.23Å | |
| C12 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | doub | 1.37Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.38Å | Aromatic |
| C16 | O3 | sing | 1.34Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| C13 | O3 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 120.3° | 120.0° |
| O1 | C1 | N2 | 122.2° | 120.0° |
| C1 | N1 | C2 | 123.1° | 120.0° |
| N1 | C1 | N2 | 117.5° | 120.0° |
| C1 | N1 | H1 | 118.4° | 120.0° |
| N1 | C2 | C3 | 119.9° | 120.1° |
| N1 | C2 | C7 | 120.7° | 120.1° |
| C2 | N1 | H1 | 118.5° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | C7 | 119.4° | 119.8° |
| C2 | C3 | H2 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H3 | 119.8° | 120.0° |
| C4 | C3 | H2 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.2° |
| C5 | C4 | H3 | 119.9° | 120.0° |
| C4 | C5 | H4 | 120.2° | 119.9° |
| C5 | C6 | C7 | 120.6° | 120.0° |
| C6 | C5 | H4 | 120.1° | 119.9° |
| C5 | C6 | H5 | 119.7° | 120.0° |
| C6 | C7 | C2 | 119.9° | 120.0° |
| C7 | C6 | H5 | 119.7° | 120.0° |
| C6 | C7 | H6 | 120.1° | 120.0° |
| C1 | N2 | C8 | 125.3° | 120.6° |
| C1 | N2 | C11 | 121.1° | 120.4° |
| N2 | C8 | C9 | 111.6° | 108.9° |
| C8 | N2 | C11 | 113.6° | 119.0° |
| N2 | C8 | H7 | 108.9° | 109.2° |
| N2 | C8 | H8 | 108.9° | 110.0° |
| C8 | C9 | N3 | 109.4° | 108.6° |
| C9 | C8 | H7 | 108.9° | 109.6° |
| C9 | C8 | H8 | 108.9° | 109.6° |
| C8 | C9 | H9 | 109.5° | 109.6° |
| C8 | C9 | H10 | 109.5° | 109.6° |
| C9 | N3 | C10 | 111.3° | 118.9° |
| C9 | N3 | C12 | 120.9° | 120.6° |
| N3 | C9 | H9 | 109.5° | 110.0° |
| N3 | C9 | H10 | 109.5° | 109.3° |
| N3 | C10 | C11 | 109.8° | 108.6° |
| C10 | N3 | C12 | 127.9° | 120.5° |
| N3 | C10 | H11 | 109.4° | 109.6° |
| N3 | C10 | H12 | 109.4° | 109.6° |
| C10 | C11 | N2 | 111.7° | 108.7° |
| C11 | C10 | H11 | 109.4° | 109.6° |
| C11 | C10 | H12 | 109.4° | 109.6° |
| C10 | C11 | H13 | 108.9° | 109.6° |
| C10 | C11 | H14 | 108.9° | 109.6° |
| N3 | C12 | O2 | 119.4° | 120.0° |
| N3 | C12 | C13 | 123.4° | 120.0° |
| O2 | C12 | C13 | 117.1° | 120.0° |
| C12 | C13 | C14 | 131.1° | 126.0° |
| C12 | C13 | O3 | 118.7° | 126.0° |
| C13 | C14 | C15 | 107.1° | 106.7° |
| C14 | C13 | O3 | 110.1° | 108.1° |
| C13 | C14 | H15 | 126.5° | 126.7° |
| C14 | C15 | C16 | 106.2° | 107.1° |
| C14 | C15 | H16 | 126.9° | 126.5° |
| C15 | C14 | H15 | 126.4° | 126.6° |
| C15 | C16 | O3 | 109.6° | 108.8° |
| C16 | C15 | H16 | 126.9° | 126.4° |
| C15 | C16 | H17 | 125.2° | 125.6° |
| C16 | O3 | C13 | 107.0° | 109.3° |
| O3 | C16 | H17 | 125.2° | 125.6° |
| C2 | C7 | H6 | 120.1° | 120.0° |
| N2 | C11 | H13 | 108.9° | 109.6° |
| N2 | C11 | H14 | 108.9° | 109.7° |
| H7 | C8 | H8 | 109.5° | 109.6° |
| H11 | C10 | H12 | 109.5° | 109.7° |
| H13 | C11 | H14 | 109.5° | 109.6° |
| H9 | C9 | H10 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 179.2° | 180.0° |
| O1 | C1 | N1 | C2 | 19.4° | 7.2° |
| O1 | C1 | N2 | C8 | 179.2° | 7.7° |
| O1 | C1 | N2 | C11 | 3.4° | 171.7° |
| O1 | C1 | N1 | H1 | 160.6° | 173.1° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 87.6° | 154.5° |
| N1 | C1 | N2 | C8 | 1.6° | 172.3° |
| C1 | N1 | C2 | C7 | 90.7° | 26.1° |
| N1 | C1 | N2 | C11 | 175.8° | 8.3° |
| N1 | C2 | C3 | C7 | 178.3° | 179.4° |
| N1 | C2 | C3 | C4 | 179.5° | 180.0° |
| N1 | C2 | C7 | C6 | 179.4° | 179.8° |
| C2 | N1 | C1 | N2 | 159.8° | 172.8° |
| N1 | C2 | C7 | H6 | 0.6° | 0.3° |
| N1 | C2 | C3 | H2 | 0.5° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.5° |
| C3 | C2 | C7 | C6 | 1.1° | 0.3° |
| C3 | C2 | N1 | H1 | 92.4° | 25.2° |
| C2 | C3 | C4 | H3 | 179.5° | 179.7° |
| C3 | C2 | C7 | H6 | 178.9° | 179.8° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | C3 | C2 | C7 | 1.2° | 0.6° |
| C3 | C4 | C5 | H4 | 179.8° | 179.8° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H5 | 179.8° | 180.0° |
| C5 | C4 | C3 | H2 | 179.4° | 179.5° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.4° | 0.1° |
| C6 | C5 | C4 | H3 | 179.8° | 179.9° |
| C5 | C6 | C7 | H6 | 179.6° | 180.0° |
| C6 | C7 | C2 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | H4 | 179.8° | 180.0° |
| C1 | N2 | C8 | C11 | 177.6° | 179.3° |
| C1 | N2 | C8 | C9 | 130.7° | 124.7° |
| C1 | N2 | C11 | C10 | 131.5° | 124.6° |
| N2 | C1 | N1 | H1 | 20.2° | 6.9° |
| C1 | N2 | C8 | H7 | 109.0° | 115.7° |
| C1 | N2 | C8 | H8 | 10.4° | 4.6° |
| C1 | N2 | C11 | H13 | 108.1° | 4.8° |
| C1 | N2 | C11 | H14 | 11.2° | 115.6° |
| N2 | C8 | C9 | H7 | 120.3° | 119.4° |
| N2 | C8 | C9 | H8 | 120.3° | 120.4° |
| N2 | C8 | C9 | N3 | 55.4° | 49.0° |
| C8 | N2 | C11 | C10 | 50.8° | 54.8° |
| N2 | C8 | H7 | H8 | 119.0° | 120.6° |
| C8 | N2 | C11 | H13 | 69.6° | 174.5° |
| C8 | N2 | C11 | H14 | 171.1° | 65.1° |
| N2 | C8 | C9 | H9 | 175.4° | 169.2° |
| N2 | C8 | C9 | H10 | 64.6° | 70.3° |
| C8 | C9 | N3 | H9 | 120.0° | 119.9° |
| C8 | C9 | N3 | H10 | 120.0° | 119.5° |
| C8 | C9 | N3 | C10 | 60.3° | 55.2° |
| C8 | C9 | N3 | C12 | 120.3° | 125.1° |
| C9 | C8 | N2 | C11 | 51.7° | 54.6° |
| C9 | C8 | H7 | H8 | 119.0° | 120.3° |
| C8 | C9 | H9 | H10 | 120.0° | 120.4° |
| C9 | N3 | C10 | C12 | 179.3° | 179.6° |
| C9 | N3 | C10 | C11 | 59.6° | 55.5° |
| C9 | N3 | C12 | O2 | 23.8° | 172.6° |
| C9 | N3 | C12 | C13 | 151.9° | 7.4° |
| N3 | C9 | C8 | H7 | 64.9° | 70.4° |
| N3 | C9 | C8 | H8 | 175.7° | 169.4° |
| C9 | N3 | C10 | H11 | 179.6° | 64.2° |
| C9 | N3 | C10 | H12 | 60.5° | 175.2° |
| N3 | C9 | H9 | H10 | 120.1° | 120.3° |
| N3 | C10 | C11 | H11 | 120.0° | 119.7° |
| N3 | C10 | C11 | H12 | 120.1° | 119.8° |
| C10 | N3 | C12 | O2 | 155.5° | 7.0° |
| C10 | N3 | C12 | C13 | 28.8° | 173.0° |
| N3 | C10 | C11 | N2 | 53.7° | 49.4° |
| N3 | C10 | H11 | H12 | 119.9° | 120.5° |
| N3 | C10 | C11 | H13 | 66.6° | 169.2° |
| N3 | C10 | C11 | H14 | 174.0° | 70.5° |
| C10 | N3 | C9 | H9 | 179.7° | 175.2° |
| C10 | N3 | C9 | H10 | 59.7° | 64.2° |
| C11 | C10 | N3 | C12 | 121.1° | 124.8° |
| C10 | C11 | N2 | H13 | 120.3° | 119.7° |
| C10 | C11 | N2 | H14 | 120.3° | 119.8° |
| C11 | C10 | H11 | H12 | 119.8° | 120.4° |
| C10 | C11 | H13 | H14 | 119.0° | 120.4° |
| N3 | C12 | O2 | C13 | 176.0° | 180.0° |
| N3 | C12 | C13 | C14 | 178.8° | 168.1° |
| N3 | C12 | C13 | O3 | 3.5° | 12.2° |
| C12 | N3 | C10 | H11 | 1.0° | 115.4° |
| C12 | N3 | C10 | H12 | 118.9° | 5.1° |
| C12 | N3 | C9 | H9 | 0.3° | 5.2° |
| C12 | N3 | C9 | H10 | 119.7° | 115.4° |
| O2 | C12 | C13 | C14 | 5.4° | 11.9° |
| O2 | C12 | C13 | O3 | 172.3° | 167.8° |
| C12 | C13 | C14 | O3 | 177.8° | 179.7° |
| C12 | C13 | C14 | C15 | 178.3° | 179.7° |
| C12 | C13 | O3 | C16 | 178.8° | 179.7° |
| C12 | C13 | C14 | H15 | 1.7° | 0.4° |
| C13 | C14 | C15 | H15 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | O3 | C16 | 0.7° | 0.0° |
| C13 | C14 | C15 | H16 | 179.9° | 180.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C14 | C15 | C16 | O3 | 0.3° | 0.0° |
| C15 | C14 | C13 | O3 | 0.5° | 0.0° |
| C14 | C15 | C16 | H17 | 179.7° | 179.9° |
| C15 | C16 | O3 | H17 | 180.0° | 179.9° |
| C15 | C16 | O3 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | H15 | 179.9° | 179.9° |
| O3 | C16 | C15 | H16 | 179.7° | 180.0° |
| C7 | C2 | N1 | H1 | 89.3° | 154.2° |
| C2 | C7 | C6 | H5 | 179.6° | 180.0° |
| C7 | C2 | C3 | H2 | 178.8° | 179.4° |
| C11 | N2 | C8 | H7 | 68.6° | 65.0° |
| C11 | N2 | C8 | H8 | 172.0° | 174.7° |
| N2 | C11 | C10 | H11 | 173.7° | 70.3° |
| N2 | C11 | C10 | H12 | 66.4° | 169.2° |
| N2 | C11 | H13 | H14 | 119.0° | 120.5° |
| O3 | C13 | C14 | H15 | 179.5° | 180.0° |
| C13 | O3 | C16 | H17 | 179.4° | 179.9° |
| H3 | C4 | C5 | H4 | 0.2° | 0.1° |
| H3 | C4 | C3 | H2 | 0.5° | 0.4° |
| H4 | C5 | C6 | H5 | 0.2° | 0.0° |
| H5 | C6 | C7 | H6 | 0.4° | 0.1° |
| H7 | C8 | C9 | H9 | 55.1° | 49.8° |
| H7 | C8 | C9 | H10 | 175.1° | 170.3° |
| H8 | C8 | C9 | H9 | 64.3° | 70.5° |
| H8 | C8 | C9 | H10 | 55.7° | 50.0° |
| H11 | C10 | C11 | H13 | 53.4° | 49.4° |
| H11 | C10 | C11 | H14 | 66.0° | 169.8° |
| H12 | C10 | C11 | H13 | 173.3° | 71.1° |
| H12 | C10 | C11 | H14 | 53.9° | 49.3° |
| H16 | C15 | C14 | H15 | 0.1° | 0.1° |
| H16 | C15 | C16 | H17 | 0.3° | 0.0° |
