EZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.54Å | 1.53Å | |
| C19 | N6 | sing | 1.47Å | 1.46Å | |
| C18 | N5 | sing | 1.47Å | 1.47Å | |
| N6 | C17 | sing | 1.37Å | 1.33Å | |
| N5 | C17 | sing | 1.37Å | 1.34Å | |
| C17 | N4 | doub | 1.31Å | 1.36Å | |
| N4 | C14 | sing | 1.37Å | 1.40Å | |
| CL1 | C15 | sing | 1.74Å | 1.73Å | |
| C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N3 | sing | 1.40Å | 1.39Å | |
| N3 | C10 | sing | 1.35Å | 1.34Å | |
| O1 | C10 | doub | 1.22Å | 1.22Å | |
| C10 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C9 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N7 | sing | 1.36Å | 1.40Å | |
| N7 | C3 | doub | 1.32Å | 1.36Å | |
| C3 | N2 | sing | 1.36Å | 1.33Å | |
| C3 | N1 | sing | 1.36Å | 1.33Å | |
| N2 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| N7 | H2 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | N6 | 102.2° | 104.5° |
| C19 | C18 | N5 | 103.2° | 104.5° |
| C19 | C18 | H19 | 111.0° | 110.4° |
| C19 | C18 | H20 | 111.0° | 110.5° |
| C18 | C19 | H21 | 111.3° | 110.4° |
| C18 | C19 | H22 | 111.3° | 110.4° |
| C19 | N6 | C17 | 110.6° | 109.1° |
| N6 | C19 | H21 | 111.3° | 110.6° |
| N6 | C19 | H22 | 111.3° | 110.3° |
| C19 | N6 | H23 | 124.7° | 125.4° |
| C18 | N5 | C17 | 109.9° | 109.1° |
| C18 | N5 | H18 | 125.1° | 125.4° |
| N5 | C18 | H19 | 111.0° | 110.4° |
| N5 | C18 | H20 | 111.0° | 110.4° |
| N6 | C17 | N5 | 111.2° | 112.8° |
| N6 | C17 | N4 | 125.3° | 123.6° |
| C17 | N6 | H23 | 124.7° | 125.5° |
| N5 | C17 | N4 | 123.5° | 123.6° |
| C17 | N5 | H18 | 125.1° | 125.5° |
| C17 | N4 | C14 | 127.9° | 120.0° |
| C17 | N4 | H12 | 116.0° | 120.0° |
| N4 | C14 | C13 | 121.8° | 120.1° |
| N4 | C14 | C15 | 118.4° | 120.1° |
| C14 | N4 | H12 | 116.1° | 120.0° |
| CL1 | C15 | C14 | 118.6° | 120.0° |
| CL1 | C15 | C16 | 120.7° | 120.0° |
| C13 | C14 | C15 | 119.7° | 119.8° |
| C14 | C13 | C12 | 120.2° | 119.9° |
| C14 | C13 | H7 | 119.9° | 120.1° |
| C14 | C15 | C16 | 120.6° | 119.9° |
| C13 | C12 | C11 | 120.0° | 120.1° |
| C12 | C13 | H7 | 119.9° | 120.0° |
| C13 | C12 | H16 | 120.0° | 119.9° |
| C15 | C16 | C11 | 119.0° | 120.1° |
| C15 | C16 | H17 | 120.5° | 120.0° |
| C12 | C11 | C16 | 120.4° | 120.2° |
| C12 | C11 | N3 | 117.8° | 119.9° |
| C11 | C12 | H16 | 120.0° | 120.0° |
| C16 | C11 | N3 | 121.8° | 119.9° |
| C11 | C16 | H17 | 120.4° | 120.0° |
| C11 | N3 | C10 | 125.6° | 120.0° |
| C11 | N3 | H3 | 117.2° | 119.9° |
| N3 | C10 | O1 | 123.2° | 120.0° |
| N3 | C10 | C7 | 114.7° | 120.0° |
| C10 | N3 | H3 | 117.2° | 120.1° |
| O1 | C10 | C7 | 122.1° | 120.0° |
| C10 | C7 | C8 | 121.5° | 120.0° |
| C10 | C7 | C6 | 119.0° | 120.0° |
| C8 | C7 | C6 | 119.5° | 120.0° |
| C7 | C8 | C9 | 120.0° | 120.0° |
| C7 | C8 | H6 | 120.0° | 120.0° |
| C7 | C6 | C5 | 120.4° | 120.0° |
| C7 | C6 | H5 | 119.8° | 120.0° |
| C8 | C9 | C4 | 120.2° | 120.0° |
| C9 | C8 | H6 | 120.0° | 120.0° |
| C8 | C9 | H15 | 119.9° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C6 | C5 | H4 | 119.7° | 120.0° |
| C5 | C6 | H5 | 119.8° | 120.0° |
| C9 | C4 | C5 | 119.2° | 120.0° |
| C9 | C4 | N7 | 124.2° | 120.0° |
| C4 | C9 | H15 | 119.9° | 120.0° |
| C5 | C4 | N7 | 116.5° | 120.0° |
| C4 | C5 | H4 | 119.7° | 120.0° |
| C4 | N7 | C3 | 129.8° | 120.0° |
| C4 | N7 | H2 | 115.1° | 120.0° |
| N7 | C3 | N2 | 124.2° | 123.6° |
| N7 | C3 | N1 | 124.8° | 123.5° |
| C3 | N7 | H2 | 115.1° | 119.9° |
| N2 | C3 | N1 | 111.0° | 113.0° |
| C3 | N2 | C1 | 110.2° | 109.1° |
| C3 | N2 | H13 | 124.9° | 125.5° |
| C3 | N1 | C2 | 110.3° | 109.1° |
| C3 | N1 | H1 | 124.9° | 125.5° |
| N2 | C1 | C2 | 102.6° | 104.4° |
| N2 | C1 | H8 | 111.1° | 110.7° |
| N2 | C1 | H9 | 111.2° | 110.2° |
| C1 | N2 | H13 | 124.9° | 125.5° |
| N1 | C2 | C1 | 101.8° | 104.5° |
| C2 | N1 | H1 | 124.8° | 125.5° |
| N1 | C2 | H10 | 111.3° | 110.4° |
| N1 | C2 | H11 | 111.4° | 110.4° |
| C2 | C1 | H8 | 111.2° | 110.5° |
| C2 | C1 | H9 | 111.2° | 110.5° |
| C1 | C2 | H10 | 111.3° | 110.4° |
| C1 | C2 | H11 | 111.3° | 110.4° |
| H8 | C1 | H9 | 109.5° | 110.4° |
| H10 | C2 | H11 | 109.5° | 110.5° |
| H19 | C18 | H20 | 109.5° | 110.4° |
| H21 | C19 | H22 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | N6 | H21 | 118.8° | 118.8° |
| C18 | C19 | N6 | H22 | 118.8° | 118.6° |
| C19 | C18 | N5 | H19 | 119.0° | 118.7° |
| C19 | C18 | N5 | H20 | 119.0° | 118.9° |
| C18 | C19 | N6 | C17 | 17.2° | 0.4° |
| C19 | C18 | N5 | C17 | 8.8° | 0.0° |
| C19 | C18 | N5 | H18 | 171.2° | 179.9° |
| C19 | C18 | H19 | H20 | 122.9° | 122.5° |
| C18 | C19 | H21 | H22 | 123.4° | 122.4° |
| C18 | C19 | N6 | H23 | 162.9° | 180.0° |
| N6 | C19 | C18 | N5 | 14.9° | 0.2° |
| C19 | N6 | C17 | H23 | 180.0° | 179.6° |
| C19 | N6 | C17 | N5 | 12.6° | 0.4° |
| C19 | N6 | C17 | N4 | 168.0° | 179.9° |
| N6 | C19 | C18 | H19 | 133.9° | 119.0° |
| N6 | C19 | C18 | H20 | 104.1° | 118.6° |
| N6 | C19 | H21 | H22 | 123.4° | 122.4° |
| C18 | N5 | C17 | N6 | 1.8° | 0.3° |
| C18 | N5 | C17 | H18 | 180.0° | 179.9° |
| C18 | N5 | C17 | N4 | 178.8° | 179.9° |
| N5 | C18 | H19 | H20 | 122.9° | 122.4° |
| N5 | C18 | C19 | H21 | 133.8° | 118.8° |
| N5 | C18 | C19 | H22 | 103.9° | 118.8° |
| N6 | C17 | N5 | N4 | 179.4° | 179.7° |
| N6 | C17 | N4 | C14 | 165.7° | 173.1° |
| N6 | C17 | N5 | H18 | 178.2° | 179.8° |
| C17 | N6 | C19 | H21 | 136.0° | 118.4° |
| C17 | N6 | C19 | H22 | 101.7° | 119.0° |
| N6 | C17 | N4 | H12 | 14.2° | 6.9° |
| N5 | C17 | N4 | C14 | 13.6° | 7.2° |
| C17 | N5 | C18 | H19 | 127.8° | 118.7° |
| C17 | N5 | C18 | H20 | 110.2° | 118.9° |
| N5 | C17 | N6 | H23 | 167.4° | 179.9° |
| N5 | C17 | N4 | H12 | 166.4° | 172.8° |
| C17 | N4 | C14 | H12 | 180.0° | 180.0° |
| C17 | N4 | C14 | C13 | 16.2° | 46.9° |
| C17 | N4 | C14 | C15 | 166.0° | 133.2° |
| N4 | C17 | N5 | H18 | 1.2° | 0.2° |
| N4 | C17 | N6 | H23 | 12.0° | 0.3° |
| N4 | C14 | C15 | CL1 | 1.2° | 0.3° |
| N4 | C14 | C13 | C15 | 177.8° | 179.9° |
| N4 | C14 | C13 | C12 | 179.1° | 180.0° |
| N4 | C14 | C15 | C16 | 179.7° | 180.0° |
| N4 | C14 | C13 | H7 | 0.9° | 0.2° |
| CL1 | C15 | C14 | C13 | 179.0° | 179.7° |
| CL1 | C15 | C14 | C16 | 178.6° | 179.7° |
| CL1 | C15 | C16 | C11 | 179.9° | 180.0° |
| CL1 | C15 | C16 | H17 | 0.1° | 0.3° |
| C14 | C13 | C12 | H7 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 2.4° | 0.0° |
| C14 | C13 | C12 | C11 | 2.9° | 0.3° |
| C14 | C13 | C12 | H16 | 177.1° | 179.8° |
| C13 | C14 | N4 | H12 | 163.8° | 133.1° |
| C15 | C14 | C13 | C12 | 3.1° | 0.0° |
| C14 | C15 | C16 | C11 | 1.5° | 0.3° |
| C15 | C14 | C13 | H7 | 176.9° | 179.7° |
| C14 | C15 | C16 | H17 | 178.5° | 180.0° |
| C15 | C14 | N4 | H12 | 14.0° | 46.8° |
| C13 | C12 | C11 | H16 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 2.1° | 0.6° |
| C13 | C12 | C11 | N3 | 179.1° | 180.0° |
| C15 | C16 | C11 | C12 | 1.4° | 0.6° |
| C15 | C16 | C11 | H17 | 180.0° | 179.8° |
| C15 | C16 | C11 | N3 | 179.8° | 180.0° |
| C12 | C11 | C16 | N3 | 178.8° | 179.4° |
| C12 | C11 | N3 | C10 | 173.9° | 144.4° |
| C12 | C11 | N3 | H3 | 6.0° | 35.5° |
| C11 | C12 | C13 | H7 | 177.1° | 180.0° |
| C12 | C11 | C16 | H17 | 178.6° | 179.6° |
| C16 | C11 | N3 | C10 | 4.9° | 36.2° |
| C16 | C11 | N3 | H3 | 175.1° | 143.9° |
| C16 | C11 | C12 | H16 | 177.9° | 179.5° |
| C11 | N3 | C10 | H3 | 180.0° | 180.0° |
| C11 | N3 | C10 | O1 | 3.2° | 5.2° |
| C11 | N3 | C10 | C7 | 176.6° | 174.8° |
| N3 | C11 | C12 | H16 | 0.9° | 0.1° |
| N3 | C11 | C16 | H17 | 0.2° | 0.2° |
| N3 | C10 | O1 | C7 | 179.8° | 180.0° |
| N3 | C10 | C7 | C8 | 1.0° | 180.0° |
| N3 | C10 | C7 | C6 | 178.1° | 0.3° |
| O1 | C10 | C7 | C8 | 178.8° | 0.0° |
| O1 | C10 | C7 | C6 | 2.1° | 179.7° |
| O1 | C10 | N3 | H3 | 176.8° | 174.8° |
| C10 | C7 | C8 | C6 | 179.1° | 179.7° |
| C10 | C7 | C8 | C9 | 179.5° | 180.0° |
| C10 | C7 | C6 | C5 | 178.9° | 179.7° |
| C7 | C10 | N3 | H3 | 3.4° | 5.2° |
| C10 | C7 | C6 | H5 | 1.1° | 0.3° |
| C10 | C7 | C8 | H6 | 0.5° | 0.2° |
| C7 | C8 | C9 | H6 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 2.0° | 0.0° |
| C7 | C8 | C9 | C4 | 2.1° | 0.6° |
| C8 | C7 | C6 | H5 | 178.0° | 180.0° |
| C7 | C8 | C9 | H15 | 177.9° | 180.0° |
| C6 | C7 | C8 | C9 | 1.4° | 0.3° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 3.3° | 0.0° |
| C7 | C6 | C5 | H4 | 176.7° | 179.9° |
| C6 | C7 | C8 | H6 | 178.6° | 180.0° |
| C8 | C9 | C4 | H15 | 180.0° | 179.4° |
| C8 | C9 | C4 | C5 | 3.4° | 0.6° |
| C8 | C9 | C4 | N7 | 179.1° | 179.7° |
| C6 | C5 | C4 | C9 | 4.0° | 0.3° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | N7 | 180.0° | 180.0° |
| C9 | C4 | C5 | N7 | 176.0° | 179.7° |
| C9 | C4 | N7 | C3 | 21.0° | 142.7° |
| C9 | C4 | C5 | H4 | 176.0° | 179.8° |
| C4 | C9 | C8 | H6 | 177.9° | 179.6° |
| C9 | C4 | N7 | H2 | 159.0° | 37.4° |
| C5 | C4 | N7 | C3 | 163.2° | 37.6° |
| C4 | C5 | C6 | H5 | 176.7° | 180.0° |
| C5 | C4 | C9 | H15 | 176.6° | 180.0° |
| C5 | C4 | N7 | H2 | 16.8° | 142.3° |
| C4 | N7 | C3 | H2 | 180.0° | 179.9° |
| C4 | N7 | C3 | N2 | 25.6° | 173.7° |
| C4 | N7 | C3 | N1 | 153.7° | 6.5° |
| N7 | C4 | C5 | H4 | 0.0° | 0.1° |
| N7 | C4 | C9 | H15 | 0.9° | 0.3° |
| N7 | C3 | N2 | N1 | 179.4° | 179.8° |
| N7 | C3 | N2 | C1 | 177.8° | 180.0° |
| N7 | C3 | N1 | C2 | 168.7° | 179.7° |
| N7 | C3 | N1 | H1 | 11.3° | 0.0° |
| N7 | C3 | N2 | H13 | 2.2° | 0.3° |
| C3 | N2 | C1 | H13 | 180.0° | 179.8° |
| N2 | C3 | N1 | C2 | 11.9° | 0.0° |
| C3 | N2 | C1 | C2 | 13.3° | 0.3° |
| N2 | C3 | N1 | H1 | 168.1° | 179.8° |
| C3 | N2 | C1 | H8 | 105.6° | 118.6° |
| C3 | N2 | C1 | H9 | 132.2° | 119.0° |
| N2 | C3 | N7 | H2 | 154.4° | 6.2° |
| N1 | C3 | N2 | C1 | 1.6° | 0.2° |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| C3 | N1 | C2 | C1 | 19.2° | 0.3° |
| C3 | N1 | C2 | H10 | 99.5° | 119.0° |
| C3 | N1 | C2 | H11 | 137.9° | 118.5° |
| N1 | C3 | N2 | H13 | 178.4° | 180.0° |
| N1 | C3 | N7 | H2 | 26.3° | 173.6° |
| N2 | C1 | C2 | N1 | 18.6° | 0.4° |
| N2 | C1 | C2 | H8 | 118.9° | 119.1° |
| N2 | C1 | C2 | H9 | 118.9° | 118.5° |
| N2 | C1 | H8 | H9 | 123.2° | 122.3° |
| N2 | C1 | C2 | H10 | 100.1° | 119.1° |
| N2 | C1 | C2 | H11 | 137.4° | 118.4° |
| N1 | C2 | C1 | H10 | 118.7° | 118.7° |
| N1 | C2 | C1 | H11 | 118.8° | 118.7° |
| N1 | C2 | C1 | H8 | 100.3° | 118.7° |
| N1 | C2 | C1 | H9 | 137.5° | 118.8° |
| N1 | C2 | H10 | H11 | 123.6° | 122.5° |
| C1 | C2 | N1 | H1 | 160.8° | 180.0° |
| C2 | C1 | H8 | H9 | 123.2° | 122.5° |
| C1 | C2 | H10 | H11 | 123.5° | 122.5° |
| C2 | C1 | N2 | H13 | 166.7° | 179.9° |
| H1 | N1 | C2 | H10 | 80.4° | 61.3° |
| H1 | N1 | C2 | H11 | 42.1° | 61.2° |
| H4 | C5 | C6 | H5 | 3.3° | 0.1° |
| H6 | C8 | C9 | H15 | 2.1° | 0.2° |
| H7 | C13 | C12 | H16 | 2.9° | 0.1° |
| H8 | C1 | C2 | H10 | 141.0° | 0.0° |
| H8 | C1 | C2 | H11 | 18.5° | 122.5° |
| H8 | C1 | N2 | H13 | 74.4° | 61.2° |
| H9 | C1 | C2 | H10 | 18.8° | 122.4° |
| H9 | C1 | C2 | H11 | 103.7° | 0.1° |
| H9 | C1 | N2 | H13 | 47.8° | 61.2° |
| H18 | N5 | C18 | H19 | 52.2° | 61.2° |
| H18 | N5 | C18 | H20 | 69.8° | 61.2° |
| H19 | C18 | C19 | H21 | 107.3° | 0.0° |
| H19 | C18 | C19 | H22 | 15.1° | 122.5° |
| H20 | C18 | C19 | H21 | 14.7° | 122.4° |
| H20 | C18 | C19 | H22 | 137.1° | 0.0° |
| H21 | C19 | N6 | H23 | 44.1° | 61.2° |
| H22 | C19 | N6 | H23 | 78.3° | 61.3° |
