5ZT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | doub | 1.21Å | 1.23Å | |
| C20 | C22 | sing | 1.52Å | 1.45Å | |
| C20 | N19 | sing | 1.35Å | 1.40Å | |
| C22 | C1 | sing | 1.52Å | 1.35Å | |
| N19 | C17 | sing | 1.34Å | 1.38Å | |
| C1 | N16 | doub | 1.30Å | 1.37Å | |
| C1 | C2 | sing | 1.49Å | 1.51Å | |
| C17 | N16 | sing | 1.34Å | 1.38Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| CL25 | C14 | sing | 1.74Å | 1.78Å | |
| O3 | C2 | doub | 1.21Å | 1.24Å | |
| C2 | N4 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N7 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | C9 | sing | 1.47Å | 1.47Å | |
| C8 | N7 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N7 | C10 | sing | 1.40Å | 1.41Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C23 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | O24 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N19 | H16 | sing | 0.97Å | 1.00Å | |
| O24 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | C22 | 125.1° | 121.5° |
| O21 | C20 | N19 | 120.0° | 121.5° |
| C22 | C20 | N19 | 114.9° | 117.0° |
| C20 | C22 | C1 | 119.9° | 116.2° |
| C20 | C22 | H10 | 106.8° | 108.2° |
| C20 | C22 | H11 | 106.8° | 108.2° |
| C20 | N19 | C17 | 126.5° | 121.3° |
| C20 | N19 | H16 | 116.8° | 119.3° |
| C22 | C1 | N16 | 120.6° | 118.0° |
| C22 | C1 | C2 | 125.4° | 121.0° |
| C1 | C22 | H10 | 106.8° | 108.1° |
| C1 | C22 | H11 | 106.8° | 108.1° |
| N19 | C17 | N16 | 114.2° | 124.8° |
| N19 | C17 | O18 | 123.1° | 117.6° |
| C17 | N19 | H16 | 116.7° | 119.4° |
| N16 | C1 | C2 | 114.0° | 121.0° |
| C1 | N16 | C17 | 124.0° | 122.8° |
| C1 | C2 | O3 | 117.1° | 120.0° |
| C1 | C2 | N4 | 119.2° | 120.0° |
| N16 | C17 | O18 | 122.7° | 117.6° |
| CL25 | C14 | C15 | 117.2° | 120.0° |
| CL25 | C14 | C13 | 119.4° | 120.0° |
| O3 | C2 | N4 | 123.7° | 120.0° |
| C2 | N4 | C5 | 126.8° | 120.9° |
| C2 | N4 | C9 | 119.9° | 120.9° |
| C5 | C6 | N7 | 109.8° | 109.3° |
| C6 | C5 | N4 | 110.0° | 108.5° |
| C5 | C6 | H1 | 109.4° | 109.5° |
| C5 | C6 | H2 | 109.4° | 109.5° |
| C6 | C5 | H3 | 109.3° | 109.6° |
| C6 | C5 | H4 | 109.3° | 109.6° |
| C6 | N7 | C8 | 111.3° | 111.3° |
| C6 | N7 | C10 | 117.2° | 111.0° |
| N7 | C6 | H1 | 109.4° | 109.5° |
| N7 | C6 | H2 | 109.4° | 109.5° |
| C14 | C15 | C10 | 120.0° | 119.9° |
| C15 | C14 | C13 | 123.4° | 120.1° |
| C14 | C15 | H9 | 120.0° | 120.1° |
| C15 | C10 | N7 | 120.0° | 120.1° |
| C15 | C10 | C11 | 117.6° | 119.9° |
| C10 | C15 | H9 | 120.0° | 120.0° |
| C14 | C13 | C23 | 122.2° | 119.9° |
| C14 | C13 | C12 | 115.7° | 120.1° |
| C5 | N4 | C9 | 113.2° | 118.3° |
| N4 | C5 | H3 | 109.3° | 109.6° |
| N4 | C5 | H4 | 109.3° | 109.8° |
| N4 | C9 | C8 | 110.8° | 108.5° |
| N4 | C9 | H14 | 109.1° | 109.6° |
| N4 | C9 | H15 | 109.1° | 109.8° |
| N7 | C8 | C9 | 110.5° | 109.3° |
| C8 | N7 | C10 | 118.0° | 111.0° |
| N7 | C8 | H5 | 109.2° | 109.5° |
| N7 | C8 | H6 | 109.2° | 109.5° |
| C9 | C8 | H5 | 109.2° | 109.5° |
| C9 | C8 | H6 | 109.2° | 109.5° |
| C8 | C9 | H14 | 109.2° | 109.6° |
| C8 | C9 | H15 | 109.2° | 109.6° |
| N7 | C10 | C11 | 122.4° | 120.1° |
| C10 | C11 | C12 | 120.9° | 119.9° |
| C10 | C11 | H7 | 119.5° | 120.0° |
| C23 | C13 | C12 | 122.0° | 119.9° |
| C13 | C23 | O24 | 109.4° | 109.5° |
| C13 | C23 | H12 | 109.5° | 109.5° |
| C13 | C23 | H13 | 109.5° | 109.5° |
| C13 | C12 | C11 | 122.4° | 120.1° |
| C13 | C12 | H8 | 118.8° | 120.0° |
| O24 | C23 | H12 | 109.5° | 109.5° |
| O24 | C23 | H13 | 109.5° | 109.4° |
| C23 | O24 | H17 | 109.5° | 114.0° |
| C12 | C11 | H7 | 119.5° | 120.0° |
| C11 | C12 | H8 | 118.8° | 119.9° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.7° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 107.8° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | C22 | N19 | 180.0° | 179.5° |
| O21 | C20 | C22 | C1 | 179.9° | 180.0° |
| O21 | C20 | N19 | C17 | 179.9° | 179.7° |
| O21 | C20 | C22 | H10 | 58.4° | 58.3° |
| O21 | C20 | C22 | H11 | 58.7° | 58.3° |
| O21 | C20 | N19 | H16 | 0.1° | 0.4° |
| C20 | C22 | C1 | H10 | 121.5° | 121.8° |
| C20 | C22 | C1 | H11 | 121.4° | 121.7° |
| C22 | C20 | N19 | C17 | 0.1° | 0.7° |
| C20 | C22 | C1 | N16 | 0.3° | 0.0° |
| C20 | C22 | C1 | C2 | 179.9° | 179.7° |
| C20 | C22 | H10 | H11 | 115.3° | 116.8° |
| C22 | C20 | N19 | H16 | 180.0° | 180.0° |
| N19 | C20 | C22 | C1 | 0.1° | 0.5° |
| C20 | N19 | C17 | H16 | 180.0° | 179.3° |
| C20 | N19 | C17 | N16 | 0.1° | 0.5° |
| C20 | N19 | C17 | O18 | 180.0° | 179.4° |
| N19 | C20 | C22 | H10 | 121.6° | 121.2° |
| N19 | C20 | C22 | H11 | 121.3° | 122.2° |
| C22 | C1 | N16 | C2 | 179.7° | 179.8° |
| C22 | C1 | N16 | C17 | 0.2° | 0.2° |
| C22 | C1 | C2 | O3 | 89.5° | 7.6° |
| C22 | C1 | C2 | N4 | 90.3° | 172.7° |
| C1 | C22 | H10 | H11 | 115.3° | 116.6° |
| N19 | C17 | N16 | C1 | 0.0° | 0.0° |
| N19 | C17 | N16 | O18 | 179.9° | 180.0° |
| C1 | N16 | C17 | O18 | 179.9° | 180.0° |
| N16 | C1 | C2 | O3 | 90.8° | 172.2° |
| N16 | C1 | C2 | N4 | 89.4° | 7.5° |
| N16 | C1 | C22 | H10 | 121.7° | 121.8° |
| N16 | C1 | C22 | H11 | 121.2° | 121.8° |
| C2 | C1 | N16 | C17 | 179.9° | 180.0° |
| C1 | C2 | O3 | N4 | 179.8° | 179.7° |
| C1 | C2 | N4 | C5 | 2.6° | 7.3° |
| C1 | C2 | N4 | C9 | 178.8° | 172.7° |
| C2 | C1 | C22 | H10 | 58.6° | 58.5° |
| C2 | C1 | C22 | H11 | 58.5° | 58.0° |
| N16 | C17 | N19 | H16 | 179.9° | 179.8° |
| O18 | C17 | N19 | H16 | 0.0° | 0.1° |
| CL25 | C14 | C15 | C13 | 180.0° | 179.8° |
| CL25 | C14 | C15 | C10 | 179.9° | 179.7° |
| CL25 | C14 | C13 | C23 | 0.0° | 0.1° |
| CL25 | C14 | C13 | C12 | 180.0° | 180.0° |
| CL25 | C14 | C15 | H9 | 0.1° | 0.2° |
| O3 | C2 | N4 | C5 | 177.6° | 173.0° |
| O3 | C2 | N4 | C9 | 1.5° | 7.0° |
| C2 | N4 | C5 | C6 | 128.5° | 128.8° |
| C2 | N4 | C5 | C9 | 176.4° | 180.0° |
| C2 | N4 | C9 | C8 | 129.6° | 128.8° |
| C2 | N4 | C5 | H3 | 111.4° | 111.5° |
| C2 | N4 | C5 | H4 | 8.4° | 9.0° |
| C2 | N4 | C9 | H14 | 110.2° | 9.1° |
| C2 | N4 | C9 | H15 | 9.3° | 111.4° |
| C5 | C6 | N7 | H1 | 120.1° | 120.0° |
| C5 | C6 | N7 | H2 | 120.1° | 119.9° |
| C6 | C5 | N4 | H3 | 120.1° | 119.7° |
| C6 | C5 | N4 | H4 | 120.1° | 119.8° |
| C6 | C5 | N4 | C9 | 55.2° | 51.2° |
| C5 | C6 | N7 | C8 | 59.3° | 63.2° |
| C5 | C6 | N7 | C10 | 160.7° | 172.7° |
| C5 | C6 | H1 | H2 | 119.8° | 120.1° |
| C6 | C5 | H3 | H4 | 119.8° | 120.4° |
| C6 | N7 | C10 | C15 | 10.5° | 0.3° |
| N7 | C6 | C5 | N4 | 56.7° | 53.8° |
| C6 | N7 | C8 | C10 | 139.6° | 124.1° |
| C6 | N7 | C8 | C9 | 57.9° | 63.2° |
| C6 | N7 | C10 | C11 | 169.2° | 180.0° |
| N7 | C6 | H1 | H2 | 119.8° | 120.1° |
| N7 | C6 | C5 | H3 | 63.4° | 65.8° |
| N7 | C6 | C5 | H4 | 176.8° | 173.7° |
| C6 | N7 | C8 | H5 | 62.3° | 56.8° |
| C6 | N7 | C8 | H6 | 178.0° | 176.9° |
| C14 | C15 | C10 | H9 | 180.0° | 179.5° |
| C14 | C15 | C10 | N7 | 179.8° | 179.7° |
| C14 | C15 | C10 | C11 | 0.1° | 0.5° |
| C15 | C14 | C13 | C23 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.0° | 0.3° |
| C10 | C15 | C14 | C13 | 0.1° | 0.5° |
| C15 | C10 | N7 | C8 | 126.7° | 124.0° |
| C15 | C10 | N7 | C11 | 179.7° | 179.7° |
| C15 | C10 | C11 | C12 | 0.1° | 0.3° |
| C15 | C10 | C11 | H7 | 179.9° | 179.8° |
| C14 | C13 | C23 | C12 | 180.0° | 180.0° |
| C14 | C13 | C23 | O24 | 175.7° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | H9 | 179.9° | 180.0° |
| C14 | C13 | C23 | H12 | 55.8° | 60.0° |
| C14 | C13 | C23 | H13 | 64.3° | 60.0° |
| C5 | N4 | C9 | C8 | 53.8° | 51.2° |
| N4 | C5 | C6 | H1 | 63.3° | 66.2° |
| N4 | C5 | C6 | H2 | 176.8° | 173.7° |
| N4 | C5 | H3 | H4 | 119.7° | 120.6° |
| C5 | N4 | C9 | H14 | 66.4° | 170.8° |
| C5 | N4 | C9 | H15 | 174.0° | 68.6° |
| N4 | C9 | C8 | N7 | 54.1° | 53.8° |
| N4 | C9 | C8 | H14 | 120.2° | 119.7° |
| N4 | C9 | C8 | H15 | 120.2° | 119.9° |
| C9 | N4 | C5 | H3 | 64.9° | 68.5° |
| C9 | N4 | C5 | H4 | 175.2° | 171.0° |
| N4 | C9 | C8 | H5 | 66.0° | 66.2° |
| N4 | C9 | C8 | H6 | 174.2° | 173.7° |
| N4 | C9 | H14 | H15 | 119.4° | 120.6° |
| N7 | C8 | C9 | H5 | 120.2° | 120.0° |
| N7 | C8 | C9 | H6 | 120.1° | 119.9° |
| C8 | N7 | C10 | C11 | 53.6° | 55.7° |
| C8 | N7 | C6 | H1 | 60.7° | 56.8° |
| C8 | N7 | C6 | H2 | 179.4° | 176.9° |
| N7 | C8 | H5 | H6 | 119.5° | 120.1° |
| N7 | C8 | C9 | H14 | 66.1° | 173.5° |
| N7 | C8 | C9 | H15 | 174.3° | 66.1° |
| C9 | C8 | N7 | C10 | 162.5° | 172.7° |
| C9 | C8 | H5 | H6 | 119.6° | 120.0° |
| C8 | C9 | H14 | H15 | 119.4° | 120.4° |
| N7 | C10 | C11 | C12 | 179.8° | 180.0° |
| C10 | N7 | C6 | H1 | 79.3° | 67.3° |
| C10 | N7 | C6 | H2 | 40.6° | 52.8° |
| C10 | N7 | C8 | H5 | 77.4° | 67.3° |
| C10 | N7 | C8 | H6 | 42.4° | 52.8° |
| N7 | C10 | C11 | H7 | 0.2° | 0.1° |
| N7 | C10 | C15 | H9 | 0.1° | 0.3° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 179.9° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | C15 | H9 | 179.9° | 180.0° |
| C13 | C23 | O24 | H12 | 120.0° | 120.1° |
| C13 | C23 | O24 | H13 | 120.0° | 120.0° |
| C23 | C13 | C12 | C11 | 180.0° | 180.0° |
| C23 | C13 | C12 | H8 | 0.1° | 0.0° |
| C13 | C23 | H12 | H13 | 120.1° | 120.0° |
| C13 | C23 | O24 | H17 | 180.0° | 180.0° |
| C12 | C13 | C23 | O24 | 4.2° | 0.1° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C12 | C13 | C23 | H12 | 124.2° | 120.0° |
| C12 | C13 | C23 | H13 | 115.7° | 120.0° |
| O24 | C23 | H12 | H13 | 120.0° | 119.9° |
| H1 | C6 | C5 | H3 | 176.6° | 174.2° |
| H1 | C6 | C5 | H4 | 56.7° | 53.7° |
| H2 | C6 | C5 | H3 | 56.7° | 54.1° |
| H2 | C6 | C5 | H4 | 63.2° | 66.3° |
| H5 | C8 | C9 | H14 | 173.7° | 53.5° |
| H5 | C8 | C9 | H15 | 54.1° | 173.9° |
| H6 | C8 | C9 | H14 | 54.0° | 66.6° |
| H6 | C8 | C9 | H15 | 65.6° | 53.8° |
| H7 | C11 | C12 | H8 | 0.0° | 0.1° |
| H12 | C23 | O24 | H17 | 60.0° | 59.9° |
| H13 | C23 | O24 | H17 | 60.0° | 60.0° |
