5YN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.22Å | 1.23Å | |
| C22 | C24 | sing | 1.47Å | 1.45Å | |
| C22 | N21 | sing | 1.35Å | 1.39Å | |
| C24 | C1 | doub | 1.36Å | 1.36Å | |
| N21 | C19 | sing | 1.34Å | 1.39Å | |
| C1 | N18 | sing | 1.38Å | 1.38Å | |
| C1 | C2 | sing | 1.48Å | 1.51Å | |
| C19 | N18 | sing | 1.34Å | 1.38Å | |
| C19 | O20 | doub | 1.22Å | 1.22Å | |
| CL15 | C14 | sing | 1.74Å | 1.75Å | |
| O3 | C2 | doub | 1.21Å | 1.24Å | |
| C2 | N4 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N7 | sing | 1.47Å | 1.48Å | |
| C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | 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 | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| N7 | C10 | sing | 1.40Å | 1.39Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | CL17 | sing | 1.74Å | 1.74Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | CL25 | sing | 1.74Å | 1.76Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| N21 | H13 | sing | 0.97Å | 1.00Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | C24 | 125.5° | 120.6° |
| O23 | C22 | N21 | 119.7° | 120.6° |
| C24 | C22 | N21 | 114.8° | 118.8° |
| C22 | C24 | C1 | 119.5° | 118.4° |
| C22 | C24 | H11 | 120.3° | 120.8° |
| C22 | N21 | C19 | 126.5° | 120.5° |
| C22 | N21 | H13 | 116.7° | 119.8° |
| C24 | C1 | N18 | 121.6° | 119.4° |
| C24 | C1 | C2 | 124.9° | 120.3° |
| C1 | C24 | H11 | 120.2° | 120.8° |
| N21 | C19 | N18 | 114.9° | 121.7° |
| N21 | C19 | O20 | 122.7° | 119.1° |
| C19 | N21 | H13 | 116.7° | 119.8° |
| N18 | C1 | C2 | 113.5° | 120.3° |
| C1 | N18 | C19 | 122.6° | 121.2° |
| C1 | N18 | H12 | 118.7° | 119.4° |
| C1 | C2 | O3 | 118.2° | 120.0° |
| C1 | C2 | N4 | 117.1° | 120.0° |
| N18 | C19 | O20 | 122.4° | 119.1° |
| C19 | N18 | H12 | 118.7° | 119.4° |
| CL15 | C14 | C16 | 119.2° | 120.0° |
| CL15 | C14 | C13 | 118.4° | 120.0° |
| O3 | C2 | N4 | 124.6° | 119.9° |
| C2 | N4 | C5 | 126.1° | 120.9° |
| C2 | N4 | C9 | 120.0° | 120.9° |
| C5 | C6 | N7 | 108.9° | 109.3° |
| C6 | C5 | N4 | 108.9° | 108.6° |
| C5 | C6 | H2 | 109.6° | 109.5° |
| C5 | C6 | H3 | 109.6° | 109.5° |
| C6 | C5 | H4 | 109.6° | 109.6° |
| C6 | C5 | H5 | 109.6° | 109.6° |
| C6 | N7 | C8 | 113.7° | 111.3° |
| C6 | N7 | C10 | 117.9° | 111.0° |
| N7 | C6 | H2 | 109.6° | 109.5° |
| N7 | C6 | H3 | 109.6° | 109.5° |
| C14 | C16 | C10 | 119.4° | 119.9° |
| C16 | C14 | C13 | 122.4° | 120.1° |
| C14 | C16 | H1 | 120.3° | 120.0° |
| C16 | C10 | N7 | 121.0° | 120.0° |
| C16 | C10 | C11 | 118.7° | 119.9° |
| C10 | C16 | H1 | 120.3° | 120.1° |
| C14 | C13 | CL17 | 121.9° | 120.0° |
| C14 | C13 | C12 | 117.3° | 120.1° |
| C5 | N4 | C9 | 113.9° | 118.2° |
| N4 | C5 | H4 | 109.6° | 109.6° |
| N4 | C5 | H5 | 109.6° | 109.7° |
| N4 | C9 | C8 | 111.2° | 108.5° |
| N4 | C9 | H8 | 109.0° | 109.6° |
| N4 | C9 | H9 | 109.0° | 109.7° |
| N7 | C8 | C9 | 110.6° | 109.3° |
| C8 | N7 | C10 | 116.2° | 111.0° |
| N7 | C8 | H6 | 109.2° | 109.5° |
| N7 | C8 | H7 | 109.2° | 109.5° |
| C9 | C8 | H6 | 109.2° | 109.4° |
| C9 | C8 | H7 | 109.2° | 109.5° |
| C8 | C9 | H8 | 109.0° | 109.7° |
| C8 | C9 | H9 | 109.0° | 109.7° |
| N7 | C10 | C11 | 120.3° | 120.1° |
| C10 | C11 | C12 | 120.3° | 120.0° |
| C10 | C11 | H10 | 119.8° | 120.0° |
| CL17 | C13 | C12 | 120.8° | 120.0° |
| C13 | C12 | C11 | 121.9° | 120.0° |
| C13 | C12 | CL25 | 119.3° | 120.0° |
| C11 | C12 | CL25 | 118.8° | 120.0° |
| C12 | C11 | H10 | 119.9° | 120.0° |
| H2 | C6 | H3 | 109.5° | 109.6° |
| H4 | C5 | H5 | 109.5° | 109.6° |
| H6 | C8 | H7 | 109.4° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | C24 | N21 | 179.8° | 179.2° |
| O23 | C22 | C24 | C1 | 179.9° | 180.0° |
| O23 | C22 | N21 | C19 | 179.0° | 179.8° |
| O23 | C22 | C24 | H11 | 0.1° | 0.8° |
| O23 | C22 | N21 | H13 | 1.0° | 0.3° |
| C22 | C24 | C1 | H11 | 180.0° | 179.2° |
| C24 | C22 | N21 | C19 | 0.8° | 0.6° |
| C22 | C24 | C1 | N18 | 1.7° | 0.5° |
| C22 | C24 | C1 | C2 | 179.7° | 179.4° |
| C24 | C22 | N21 | H13 | 179.2° | 179.5° |
| N21 | C22 | C24 | C1 | 0.3° | 0.8° |
| C22 | N21 | C19 | H13 | 180.0° | 179.9° |
| C22 | N21 | C19 | N18 | 0.5° | 0.1° |
| C22 | N21 | C19 | O20 | 179.2° | 179.7° |
| N21 | C22 | C24 | H11 | 179.7° | 180.0° |
| C24 | C1 | N18 | C2 | 178.2° | 180.0° |
| C24 | C1 | N18 | C19 | 2.1° | 0.0° |
| C24 | C1 | C2 | O3 | 81.8° | 92.4° |
| C24 | C1 | C2 | N4 | 95.5° | 87.5° |
| C24 | C1 | N18 | H12 | 177.8° | 180.0° |
| N21 | C19 | N18 | C1 | 1.0° | 0.2° |
| N21 | C19 | N18 | O20 | 179.7° | 179.8° |
| N21 | C19 | N18 | H12 | 179.0° | 179.8° |
| C1 | N18 | C19 | H12 | 180.0° | 180.0° |
| C1 | N18 | C19 | O20 | 179.3° | 180.0° |
| N18 | C1 | C2 | O3 | 100.1° | 87.6° |
| N18 | C1 | C2 | N4 | 82.7° | 92.5° |
| N18 | C1 | C24 | H11 | 178.3° | 179.7° |
| C2 | C1 | N18 | C19 | 179.7° | 179.9° |
| C1 | C2 | O3 | N4 | 177.0° | 179.9° |
| C1 | C2 | N4 | C5 | 1.7° | 175.0° |
| C1 | C2 | N4 | C9 | 179.8° | 4.9° |
| C2 | C1 | C24 | H11 | 0.3° | 0.2° |
| C2 | C1 | N18 | H12 | 0.3° | 0.0° |
| N18 | C19 | N21 | H13 | 179.5° | 180.0° |
| O20 | C19 | N21 | H13 | 0.8° | 0.2° |
| O20 | C19 | N18 | H12 | 0.7° | 0.0° |
| CL15 | C14 | C16 | C13 | 179.6° | 180.0° |
| CL15 | C14 | C16 | C10 | 179.5° | 180.0° |
| CL15 | C14 | C13 | CL17 | 0.5° | 0.0° |
| CL15 | C14 | C13 | C12 | 179.4° | 180.0° |
| CL15 | C14 | C16 | H1 | 0.5° | 0.2° |
| O3 | C2 | N4 | C5 | 178.7° | 5.1° |
| O3 | C2 | N4 | C9 | 2.8° | 175.0° |
| C2 | N4 | C5 | C6 | 124.0° | 128.8° |
| C2 | N4 | C5 | C9 | 178.6° | 179.9° |
| C2 | N4 | C9 | C8 | 127.7° | 128.8° |
| C2 | N4 | C5 | H4 | 116.1° | 111.5° |
| C2 | N4 | C5 | H5 | 4.0° | 9.0° |
| C2 | N4 | C9 | H8 | 112.0° | 9.1° |
| C2 | N4 | C9 | H9 | 7.5° | 111.4° |
| C5 | C6 | N7 | H2 | 119.9° | 119.9° |
| C5 | C6 | N7 | H3 | 119.9° | 120.0° |
| C6 | C5 | N4 | H4 | 119.9° | 119.7° |
| C6 | C5 | N4 | H5 | 119.9° | 119.8° |
| C6 | C5 | N4 | C9 | 57.5° | 51.1° |
| C5 | C6 | N7 | C8 | 58.8° | 63.1° |
| C5 | C6 | N7 | C10 | 160.3° | 172.8° |
| C5 | C6 | H2 | H3 | 120.3° | 120.1° |
| C6 | C5 | H4 | H5 | 120.2° | 120.4° |
| C6 | N7 | C10 | C16 | 10.3° | 180.0° |
| N7 | C6 | C5 | N4 | 57.7° | 53.8° |
| C6 | N7 | C8 | C10 | 141.6° | 124.1° |
| C6 | N7 | C8 | C9 | 54.6° | 63.1° |
| C6 | N7 | C10 | C11 | 169.4° | 0.0° |
| N7 | C6 | H2 | H3 | 120.3° | 120.1° |
| N7 | C6 | C5 | H4 | 62.3° | 65.9° |
| N7 | C6 | C5 | H5 | 177.6° | 173.7° |
| C6 | N7 | C8 | H6 | 65.5° | 177.0° |
| C6 | N7 | C8 | H7 | 174.8° | 56.8° |
| C14 | C16 | C10 | H1 | 180.0° | 179.8° |
| C14 | C16 | C10 | N7 | 179.7° | 180.0° |
| C14 | C16 | C10 | C11 | 0.0° | 0.0° |
| C16 | C14 | C13 | CL17 | 179.9° | 180.0° |
| C16 | C14 | C13 | C12 | 0.2° | 0.0° |
| C10 | C16 | C14 | C13 | 0.1° | 0.0° |
| C16 | C10 | N7 | C8 | 129.7° | 55.7° |
| C16 | C10 | N7 | C11 | 179.7° | 180.0° |
| C16 | C10 | C11 | C12 | 0.0° | 0.0° |
| C16 | C10 | C11 | H10 | 180.0° | 180.0° |
| C14 | C13 | CL17 | C12 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | CL25 | 179.8° | 180.0° |
| C13 | C14 | C16 | H1 | 179.9° | 179.7° |
| C5 | N4 | C9 | C8 | 53.6° | 51.1° |
| N4 | C5 | C6 | H2 | 62.2° | 66.1° |
| N4 | C5 | C6 | H3 | 177.6° | 173.8° |
| N4 | C5 | H4 | H5 | 120.2° | 120.5° |
| C5 | N4 | C9 | H8 | 66.7° | 170.9° |
| C5 | N4 | C9 | H9 | 173.9° | 68.7° |
| N4 | C9 | C8 | N7 | 50.2° | 53.8° |
| N4 | C9 | C8 | H8 | 120.3° | 119.7° |
| N4 | C9 | C8 | H9 | 120.3° | 119.9° |
| C9 | N4 | C5 | H4 | 62.5° | 68.6° |
| C9 | N4 | C5 | H5 | 177.4° | 170.9° |
| N4 | C9 | C8 | H6 | 70.0° | 173.8° |
| N4 | C9 | C8 | H7 | 170.4° | 66.2° |
| N4 | C9 | H8 | H9 | 119.2° | 120.5° |
| N7 | C8 | C9 | H6 | 120.2° | 120.0° |
| N7 | C8 | C9 | H7 | 120.2° | 120.0° |
| C8 | N7 | C10 | C11 | 50.6° | 124.3° |
| C8 | N7 | C6 | H2 | 61.1° | 56.8° |
| C8 | N7 | C6 | H3 | 178.7° | 176.9° |
| N7 | C8 | H6 | H7 | 119.5° | 120.1° |
| N7 | C8 | C9 | H8 | 70.1° | 173.5° |
| N7 | C8 | C9 | H9 | 170.4° | 66.1° |
| C9 | C8 | N7 | C10 | 163.8° | 172.7° |
| C9 | C8 | H6 | H7 | 119.4° | 120.0° |
| C8 | C9 | H8 | H9 | 119.2° | 120.5° |
| N7 | C10 | C11 | C12 | 179.7° | 180.0° |
| N7 | C10 | C16 | H1 | 0.3° | 0.3° |
| C10 | N7 | C6 | H2 | 79.8° | 67.3° |
| C10 | N7 | C6 | H3 | 40.4° | 52.8° |
| C10 | N7 | C8 | H6 | 76.1° | 52.8° |
| C10 | N7 | C8 | H7 | 43.6° | 67.3° |
| N7 | C10 | C11 | H10 | 0.3° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | CL25 | 179.7° | 180.0° |
| C11 | C10 | C16 | H1 | 180.0° | 179.7° |
| CL17 | C13 | C12 | C11 | 179.9° | 180.0° |
| CL17 | C13 | C12 | CL25 | 0.3° | 0.0° |
| C13 | C12 | C11 | CL25 | 179.6° | 180.0° |
| C13 | C12 | C11 | H10 | 179.9° | 180.0° |
| CL25 | C12 | C11 | H10 | 0.3° | 0.0° |
| H2 | C6 | C5 | H4 | 177.8° | 174.2° |
| H2 | C6 | C5 | H5 | 57.7° | 53.8° |
| H3 | C6 | C5 | H4 | 57.7° | 54.0° |
| H3 | C6 | C5 | H5 | 62.5° | 66.3° |
| H6 | C8 | C9 | H8 | 169.7° | 66.5° |
| H6 | C8 | C9 | H9 | 50.2° | 53.9° |
| H7 | C8 | C9 | H8 | 50.1° | 53.5° |
| H7 | C8 | C9 | H9 | 69.3° | 174.0° |
