YD1
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 | 1.35Å | |
| N21 | C19 | sing | 1.34Å | 1.38Å | |
| CL15 | C14 | sing | 1.74Å | 1.76Å | |
| C1 | N18 | sing | 1.38Å | 1.37Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C19 | N18 | sing | 1.34Å | 1.38Å | |
| C19 | O20 | doub | 1.22Å | 1.22Å | |
| C2 | O3 | doub | 1.21Å | 1.24Å | |
| C2 | N4 | sing | 1.35Å | 1.34Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N7 | sing | 1.47Å | 1.48Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | C9 | sing | 1.47Å | 1.46Å | |
| C13 | CL17 | sing | 1.74Å | 1.75Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.54Å | 1.52Å | |
| C10 | N7 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| N18 | H13 | sing | 0.97Å | 1.00Å | |
| N21 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | C24 | 125.3° | 120.6° |
| O23 | C22 | N21 | 120.2° | 120.6° |
| C24 | C22 | N21 | 114.5° | 118.8° |
| C22 | C24 | C1 | 119.7° | 118.4° |
| C22 | C24 | H12 | 120.2° | 120.8° |
| C22 | N21 | C19 | 127.1° | 120.5° |
| C22 | N21 | H14 | 116.4° | 119.8° |
| C24 | C1 | N18 | 121.0° | 119.4° |
| C24 | C1 | C2 | 125.5° | 120.3° |
| C1 | C24 | H12 | 120.2° | 120.8° |
| N21 | C19 | N18 | 113.7° | 121.7° |
| N21 | C19 | O20 | 123.4° | 119.2° |
| C19 | N21 | H14 | 116.5° | 119.8° |
| CL15 | C14 | C16 | 118.9° | 120.0° |
| CL15 | C14 | C13 | 120.3° | 119.9° |
| N18 | C1 | C2 | 113.5° | 120.3° |
| C1 | N18 | C19 | 123.9° | 121.2° |
| C1 | N18 | H13 | 118.1° | 119.4° |
| C1 | C2 | O3 | 117.2° | 120.1° |
| C1 | C2 | N4 | 118.8° | 119.9° |
| N18 | C19 | O20 | 122.9° | 119.1° |
| C19 | N18 | H13 | 118.0° | 119.4° |
| O3 | C2 | N4 | 124.0° | 120.0° |
| C2 | N4 | C5 | 126.4° | 120.9° |
| C2 | N4 | C9 | 120.5° | 120.9° |
| C16 | C14 | C13 | 120.9° | 120.0° |
| C14 | C16 | C10 | 120.5° | 119.9° |
| C14 | C16 | H11 | 119.8° | 120.0° |
| C14 | C13 | CL17 | 121.6° | 119.9° |
| C14 | C13 | C12 | 119.0° | 120.1° |
| C16 | C10 | N7 | 120.5° | 120.0° |
| C16 | C10 | C11 | 117.8° | 119.9° |
| C10 | C16 | H11 | 119.7° | 120.0° |
| C5 | C6 | N7 | 109.7° | 109.3° |
| C6 | C5 | N4 | 110.0° | 108.7° |
| C6 | C5 | H1 | 109.3° | 109.6° |
| C6 | C5 | H2 | 109.4° | 109.7° |
| C5 | C6 | H3 | 109.4° | 109.5° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C6 | N7 | C8 | 112.0° | 111.3° |
| C6 | N7 | C10 | 117.8° | 111.0° |
| N7 | C6 | H3 | 109.4° | 109.5° |
| N7 | C6 | H4 | 109.4° | 109.5° |
| C5 | N4 | C9 | 113.2° | 118.2° |
| N4 | C5 | H1 | 109.3° | 109.6° |
| N4 | C5 | H2 | 109.3° | 109.6° |
| N4 | C9 | C8 | 110.5° | 108.4° |
| N4 | C9 | H7 | 109.2° | 109.8° |
| N4 | C9 | H8 | 109.2° | 109.7° |
| CL17 | C13 | C12 | 119.4° | 120.0° |
| C13 | C12 | C11 | 120.8° | 120.1° |
| C13 | C12 | H9 | 119.6° | 120.0° |
| N7 | C8 | C9 | 110.7° | 109.4° |
| C8 | N7 | C10 | 117.0° | 111.0° |
| N7 | C8 | H5 | 109.2° | 109.5° |
| N7 | C8 | H6 | 109.2° | 109.6° |
| C9 | C8 | H5 | 109.1° | 109.5° |
| C9 | C8 | H6 | 109.2° | 109.4° |
| C8 | C9 | H7 | 109.2° | 109.7° |
| C8 | C9 | H8 | 109.2° | 109.6° |
| N7 | C10 | C11 | 121.7° | 120.1° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C10 | C11 | H10 | 119.5° | 120.0° |
| C11 | C12 | H9 | 119.6° | 120.0° |
| C12 | C11 | H10 | 119.5° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.6° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H7 | C9 | H8 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | C24 | N21 | 179.5° | 179.6° |
| O23 | C22 | C24 | C1 | 179.7° | 180.0° |
| O23 | C22 | N21 | C19 | 179.7° | 179.7° |
| O23 | C22 | C24 | H12 | 0.3° | 0.1° |
| O23 | C22 | N21 | H14 | 0.3° | 0.4° |
| C22 | C24 | C1 | H12 | 180.0° | 179.9° |
| C24 | C22 | N21 | C19 | 0.1° | 0.7° |
| C22 | C24 | C1 | N18 | 1.2° | 0.1° |
| C22 | C24 | C1 | C2 | 179.6° | 179.7° |
| C24 | C22 | N21 | H14 | 179.9° | 180.0° |
| N21 | C22 | C24 | C1 | 0.7° | 0.4° |
| C22 | N21 | C19 | H14 | 180.0° | 179.3° |
| C22 | N21 | C19 | N18 | 0.0° | 0.5° |
| C22 | N21 | C19 | O20 | 179.9° | 179.4° |
| N21 | C22 | C24 | H12 | 179.3° | 179.5° |
| C24 | C1 | N18 | C2 | 178.6° | 179.6° |
| C24 | C1 | N18 | C19 | 1.1° | 0.3° |
| C24 | C1 | C2 | O3 | 85.5° | 94.9° |
| C24 | C1 | C2 | N4 | 94.6° | 85.1° |
| C24 | C1 | N18 | H13 | 178.9° | 179.7° |
| N21 | C19 | N18 | C1 | 0.4° | 0.1° |
| N21 | C19 | N18 | O20 | 179.8° | 179.9° |
| N21 | C19 | N18 | H13 | 179.6° | 179.9° |
| CL15 | C14 | C16 | C13 | 180.0° | 179.7° |
| CL15 | C14 | C16 | C10 | 179.8° | 180.0° |
| CL15 | C14 | C13 | CL17 | 0.0° | 0.3° |
| CL15 | C14 | C13 | C12 | 179.8° | 179.7° |
| CL15 | C14 | C16 | H11 | 0.2° | 0.3° |
| C1 | N18 | C19 | H13 | 180.0° | 180.0° |
| C1 | N18 | C19 | O20 | 179.4° | 180.0° |
| N18 | C1 | C2 | O3 | 96.0° | 84.7° |
| N18 | C1 | C2 | N4 | 83.9° | 95.3° |
| N18 | C1 | C24 | H12 | 178.8° | 180.0° |
| C2 | C1 | N18 | C19 | 179.7° | 179.9° |
| C1 | C2 | O3 | N4 | 179.9° | 180.0° |
| C1 | C2 | N4 | C5 | 0.2° | 174.9° |
| C1 | C2 | N4 | C9 | 179.8° | 5.0° |
| C2 | C1 | C24 | H12 | 0.4° | 0.4° |
| C2 | C1 | N18 | H13 | 0.3° | 0.1° |
| N18 | C19 | N21 | H14 | 180.0° | 179.8° |
| O20 | C19 | N18 | H13 | 0.6° | 0.0° |
| O20 | C19 | N21 | H14 | 0.1° | 0.1° |
| O3 | C2 | N4 | C5 | 179.9° | 5.1° |
| O3 | C2 | N4 | C9 | 0.0° | 175.0° |
| C2 | N4 | C5 | C6 | 123.9° | 128.7° |
| C2 | N4 | C5 | C9 | 180.0° | 180.0° |
| C2 | N4 | C9 | C8 | 125.2° | 129.0° |
| C2 | N4 | C5 | H1 | 116.1° | 111.4° |
| C2 | N4 | C5 | H2 | 3.8° | 8.9° |
| C2 | N4 | C9 | H7 | 114.6° | 9.3° |
| C2 | N4 | C9 | H8 | 5.0° | 111.4° |
| C14 | C16 | C10 | H11 | 180.0° | 179.7° |
| C16 | C14 | C13 | CL17 | 180.0° | 180.0° |
| C16 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C16 | C10 | N7 | 179.7° | 180.0° |
| C14 | C16 | C10 | C11 | 0.0° | 0.5° |
| C13 | C14 | C16 | C10 | 0.2° | 0.3° |
| C14 | C13 | CL17 | C12 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H9 | 179.8° | 179.7° |
| C13 | C14 | C16 | H11 | 179.9° | 180.0° |
| C16 | C10 | N7 | C6 | 8.3° | 0.6° |
| C16 | C10 | N7 | C8 | 129.7° | 124.8° |
| C16 | C10 | N7 | C11 | 179.7° | 179.5° |
| C16 | C10 | C11 | C12 | 0.0° | 0.5° |
| C16 | C10 | C11 | H10 | 180.0° | 179.5° |
| C5 | C6 | N7 | H3 | 120.0° | 119.9° |
| C5 | C6 | N7 | H4 | 120.0° | 120.0° |
| C6 | C5 | N4 | H1 | 120.1° | 119.8° |
| C6 | C5 | N4 | H2 | 120.1° | 119.8° |
| C6 | C5 | N4 | C9 | 56.1° | 51.3° |
| C5 | C6 | N7 | C8 | 57.9° | 63.1° |
| C5 | C6 | N7 | C10 | 162.1° | 172.8° |
| C6 | C5 | H1 | H2 | 119.8° | 120.4° |
| C5 | C6 | H3 | H4 | 119.9° | 120.1° |
| N7 | C6 | C5 | N4 | 56.0° | 53.9° |
| C6 | N7 | C8 | C10 | 140.3° | 124.1° |
| C6 | N7 | C8 | C9 | 56.9° | 63.1° |
| C6 | N7 | C10 | C11 | 171.4° | 180.0° |
| N7 | C6 | C5 | H1 | 64.0° | 65.9° |
| N7 | C6 | C5 | H2 | 176.1° | 173.8° |
| N7 | C6 | H3 | H4 | 119.9° | 120.0° |
| C6 | N7 | C8 | H5 | 63.3° | 176.9° |
| C6 | N7 | C8 | H6 | 177.1° | 56.8° |
| C5 | N4 | C9 | C8 | 54.8° | 51.0° |
| N4 | C5 | H1 | H2 | 119.8° | 120.3° |
| N4 | C5 | C6 | H3 | 64.0° | 66.0° |
| N4 | C5 | C6 | H4 | 176.1° | 173.9° |
| C5 | N4 | C9 | H7 | 65.4° | 170.8° |
| C5 | N4 | C9 | H8 | 175.0° | 68.6° |
| N4 | C9 | C8 | N7 | 54.1° | 53.7° |
| N4 | C9 | C8 | H7 | 120.2° | 119.8° |
| N4 | C9 | C8 | H8 | 120.2° | 119.7° |
| C9 | N4 | C5 | H1 | 64.0° | 68.5° |
| C9 | N4 | C5 | H2 | 176.2° | 171.2° |
| N4 | C9 | C8 | H5 | 66.1° | 173.8° |
| N4 | C9 | C8 | H6 | 174.3° | 66.3° |
| N4 | C9 | H7 | H8 | 119.5° | 120.7° |
| CL17 | C13 | C12 | C11 | 180.0° | 180.0° |
| CL17 | C13 | C12 | H9 | 0.0° | 0.3° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H9 | 180.0° | 179.7° |
| C13 | C12 | C11 | H10 | 179.9° | 179.7° |
| N7 | C8 | C9 | H5 | 120.2° | 120.1° |
| N7 | C8 | C9 | H6 | 120.2° | 120.0° |
| C8 | N7 | C10 | C11 | 50.6° | 55.7° |
| C8 | N7 | C6 | H3 | 62.1° | 56.8° |
| C8 | N7 | C6 | H4 | 177.9° | 176.9° |
| N7 | C8 | H5 | H6 | 119.4° | 120.1° |
| N7 | C8 | C9 | H7 | 66.1° | 173.5° |
| N7 | C8 | C9 | H8 | 174.3° | 66.0° |
| C9 | C8 | N7 | C10 | 162.7° | 172.8° |
| C9 | C8 | H5 | H6 | 119.4° | 119.9° |
| C8 | C9 | H7 | H8 | 119.5° | 120.4° |
| N7 | C10 | C11 | C12 | 179.7° | 180.0° |
| C10 | N7 | C6 | H3 | 77.8° | 67.3° |
| C10 | N7 | C6 | H4 | 42.1° | 52.8° |
| C10 | N7 | C8 | H5 | 77.1° | 52.8° |
| C10 | N7 | C8 | H6 | 42.5° | 67.3° |
| N7 | C10 | C11 | H10 | 0.3° | 0.0° |
| N7 | C10 | C16 | H11 | 0.3° | 0.2° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H9 | 179.9° | 180.0° |
| C11 | C10 | C16 | H11 | 180.0° | 179.7° |
| H1 | C5 | C6 | H3 | 175.9° | 174.2° |
| H1 | C5 | C6 | H4 | 56.0° | 54.1° |
| H2 | C5 | C6 | H3 | 56.1° | 53.8° |
| H2 | C5 | C6 | H4 | 63.8° | 66.3° |
| H5 | C8 | C9 | H7 | 173.7° | 66.4° |
| H5 | C8 | C9 | H8 | 54.1° | 54.0° |
| H6 | C8 | C9 | H7 | 54.1° | 53.5° |
| H6 | C8 | C9 | H8 | 65.5° | 174.0° |
| H9 | C12 | C11 | H10 | 0.1° | 0.0° |
