YRM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | doub | 1.21Å | 1.21Å | |
| N20 | C21 | sing | 1.35Å | 1.35Å | |
| N20 | C19 | sing | 1.34Å | 1.37Å | |
| C21 | C05 | sing | 1.51Å | 1.40Å | |
| C09 | C04 | sing | 1.53Å | 1.48Å | |
| C19 | O23 | doub | 1.22Å | 1.21Å | |
| C19 | N18 | sing | 1.35Å | 1.35Å | |
| C08 | C04 | sing | 1.53Å | 1.49Å | |
| C05 | C04 | sing | 1.53Å | 1.42Å | |
| C05 | N18 | sing | 1.47Å | 1.38Å | |
| C05 | C06 | sing | 1.53Å | 1.43Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| C03 | N02 | sing | 1.47Å | 1.46Å | |
| C07 | N02 | sing | 1.47Å | 1.45Å | |
| N02 | C01 | sing | 1.38Å | 1.43Å | |
| C01 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C01 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | N10 | sing | 1.36Å | 1.34Å | Aromatic |
| C15 | N16 | doub | 1.31Å | 1.34Å | Aromatic |
| N10 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | C17 | doub | 1.38Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| F26 | C24 | sing | 1.40Å | 1.28Å | |
| C13 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C13 | C24 | sing | 1.51Å | 1.35Å | |
| C24 | F27 | sing | 1.40Å | 1.27Å | |
| C24 | F25 | sing | 1.40Å | 1.29Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| N18 | H17 | sing | 0.97Å | 1.00Å | |
| N20 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | N20 | 123.7° | 127.2° |
| O22 | C21 | C05 | 123.2° | 127.3° |
| C21 | N20 | C19 | 103.3° | 111.6° |
| N20 | C21 | C05 | 113.1° | 105.4° |
| C21 | N20 | H18 | 128.3° | 124.2° |
| N20 | C19 | O23 | 122.7° | 123.7° |
| N20 | C19 | N18 | 111.9° | 112.4° |
| C19 | N20 | H18 | 128.4° | 124.2° |
| C21 | C05 | C04 | 120.0° | 110.4° |
| C21 | C05 | N18 | 103.6° | 104.1° |
| C21 | C05 | C06 | 99.9° | 110.4° |
| C09 | C04 | C08 | 110.5° | 109.5° |
| C09 | C04 | C05 | 107.5° | 109.5° |
| C09 | C04 | C03 | 108.0° | 109.4° |
| C04 | C09 | H10 | 109.5° | 109.5° |
| C04 | C09 | H11 | 109.5° | 109.4° |
| C04 | C09 | H12 | 109.5° | 109.5° |
| O23 | C19 | N18 | 125.4° | 123.8° |
| C19 | N18 | C05 | 108.2° | 106.4° |
| C19 | N18 | H17 | 125.9° | 126.8° |
| C08 | C04 | C05 | 109.4° | 109.5° |
| C08 | C04 | C03 | 110.9° | 109.5° |
| C04 | C08 | H7 | 109.5° | 109.5° |
| C04 | C08 | H8 | 109.5° | 109.4° |
| C04 | C08 | H9 | 109.4° | 109.5° |
| C04 | C05 | N18 | 114.4° | 110.5° |
| C04 | C05 | C06 | 107.5° | 110.8° |
| C05 | C04 | C03 | 110.5° | 109.4° |
| N18 | C05 | C06 | 110.5° | 110.5° |
| C05 | N18 | H17 | 125.9° | 126.8° |
| C05 | C06 | C07 | 112.9° | 109.4° |
| C05 | C06 | H3 | 108.6° | 109.5° |
| C05 | C06 | H4 | 108.6° | 109.5° |
| C04 | C03 | N02 | 118.8° | 108.8° |
| C04 | C03 | H1 | 107.1° | 109.6° |
| C04 | C03 | H2 | 107.1° | 109.7° |
| C06 | C07 | N02 | 114.7° | 108.8° |
| C07 | C06 | H3 | 108.6° | 109.5° |
| C07 | C06 | H4 | 108.6° | 109.5° |
| C06 | C07 | H5 | 108.2° | 109.6° |
| C06 | C07 | H6 | 108.1° | 109.6° |
| C03 | N02 | C07 | 113.2° | 118.8° |
| C03 | N02 | C01 | 122.9° | 120.6° |
| N02 | C03 | H1 | 107.1° | 109.6° |
| N02 | C03 | H2 | 107.1° | 109.6° |
| C07 | N02 | C01 | 123.8° | 120.6° |
| N02 | C07 | H5 | 108.1° | 109.6° |
| N02 | C07 | H6 | 108.1° | 109.6° |
| N02 | C01 | N10 | 120.3° | 119.8° |
| N02 | C01 | C14 | 124.4° | 119.8° |
| N10 | C01 | C14 | 115.3° | 120.4° |
| C01 | N10 | C15 | 129.6° | 133.2° |
| C01 | N10 | C11 | 122.9° | 120.0° |
| C01 | C14 | C13 | 122.0° | 120.5° |
| C01 | C14 | H14 | 119.0° | 119.8° |
| N10 | C15 | N16 | 108.2° | 109.2° |
| C15 | N10 | C11 | 107.5° | 106.8° |
| N10 | C15 | H15 | 125.9° | 125.3° |
| C15 | N16 | C17 | 108.6° | 109.9° |
| N16 | C15 | H15 | 125.8° | 125.4° |
| N10 | C11 | C17 | 108.6° | 106.4° |
| N10 | C11 | C12 | 121.9° | 119.9° |
| C14 | C13 | C12 | 122.1° | 119.8° |
| C14 | C13 | C24 | 117.3° | 120.1° |
| C13 | C14 | H14 | 119.0° | 119.7° |
| N16 | C17 | C11 | 107.0° | 107.6° |
| N16 | C17 | H16 | 126.5° | 126.2° |
| C17 | C11 | C12 | 129.4° | 133.7° |
| C11 | C17 | H16 | 126.5° | 126.2° |
| C11 | C12 | C13 | 115.7° | 119.4° |
| C11 | C12 | H13 | 122.1° | 120.3° |
| F26 | C24 | C13 | 118.8° | 109.5° |
| F26 | C24 | F27 | 98.1° | 109.4° |
| F26 | C24 | F25 | 97.8° | 109.5° |
| C12 | C13 | C24 | 120.6° | 120.1° |
| C13 | C12 | H13 | 122.2° | 120.3° |
| C13 | C24 | F27 | 119.9° | 109.5° |
| C13 | C24 | F25 | 120.2° | 109.5° |
| F27 | C24 | F25 | 96.9° | 109.5° |
| H1 | C03 | H2 | 109.5° | 109.6° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.7° |
| H7 | C08 | H8 | 109.4° | 109.5° |
| H7 | C08 | H9 | 109.4° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.4° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H10 | C09 | H12 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | N20 | C05 | 179.6° | 179.9° |
| O22 | C21 | N20 | C19 | 180.0° | 179.9° |
| O22 | C21 | C05 | C04 | 51.2° | 61.5° |
| O22 | C21 | C05 | N18 | 179.8° | 179.9° |
| O22 | C21 | C05 | C06 | 65.8° | 61.3° |
| O22 | C21 | N20 | H18 | 0.1° | 0.1° |
| C21 | N20 | C19 | H18 | 180.0° | 180.0° |
| C21 | N20 | C19 | O23 | 179.8° | 179.9° |
| C21 | N20 | C19 | N18 | 0.3° | 0.0° |
| N20 | C21 | C05 | C04 | 129.2° | 118.6° |
| N20 | C21 | C05 | N18 | 0.2° | 0.1° |
| N20 | C21 | C05 | C06 | 113.8° | 118.6° |
| C19 | N20 | C21 | C05 | 0.3° | 0.0° |
| N20 | C19 | O23 | N18 | 179.4° | 179.9° |
| N20 | C19 | N18 | C05 | 0.2° | 0.0° |
| N20 | C19 | N18 | H17 | 179.8° | 179.9° |
| C21 | C05 | C04 | C09 | 68.7° | 177.4° |
| C21 | C05 | N18 | C19 | 0.0° | 0.1° |
| C21 | C05 | C04 | C08 | 51.3° | 57.3° |
| C21 | C05 | C04 | N18 | 124.0° | 114.5° |
| C21 | C05 | C04 | C06 | 113.0° | 122.6° |
| C21 | C05 | N18 | C06 | 106.2° | 118.5° |
| C21 | C05 | C04 | C03 | 173.6° | 62.7° |
| C21 | C05 | C06 | C07 | 169.5° | 62.6° |
| C21 | C05 | C06 | H3 | 70.0° | 57.3° |
| C21 | C05 | C06 | H4 | 49.0° | 177.4° |
| C21 | C05 | N18 | H17 | 180.0° | 179.9° |
| C05 | C21 | N20 | H18 | 179.7° | 180.0° |
| C09 | C04 | C08 | C05 | 118.1° | 120.1° |
| C09 | C04 | C08 | C03 | 119.8° | 120.0° |
| C09 | C04 | C05 | C03 | 117.7° | 119.9° |
| C09 | C04 | C05 | N18 | 55.3° | 62.8° |
| C09 | C04 | C05 | C06 | 178.3° | 60.0° |
| C09 | C04 | C03 | N02 | 163.6° | 66.2° |
| C09 | C04 | C03 | H1 | 42.3° | 53.6° |
| C09 | C04 | C03 | H2 | 75.0° | 173.9° |
| C09 | C04 | C08 | H7 | 180.0° | 60.0° |
| C09 | C04 | C08 | H8 | 60.0° | 60.1° |
| C09 | C04 | C08 | H9 | 60.0° | 180.0° |
| C04 | C09 | H10 | H11 | 120.0° | 120.0° |
| C04 | C09 | H10 | H12 | 120.0° | 120.1° |
| C04 | C09 | H11 | H12 | 120.0° | 120.0° |
| O23 | C19 | N18 | C05 | 179.7° | 179.9° |
| O23 | C19 | N18 | H17 | 0.3° | 0.0° |
| O23 | C19 | N20 | H18 | 0.2° | 0.1° |
| C19 | N18 | C05 | C04 | 132.4° | 118.5° |
| C19 | N18 | C05 | H17 | 180.0° | 180.0° |
| C19 | N18 | C05 | C06 | 106.2° | 118.5° |
| N18 | C19 | N20 | H18 | 179.7° | 179.9° |
| C08 | C04 | C05 | C03 | 122.3° | 120.0° |
| C08 | C04 | C05 | N18 | 175.3° | 57.2° |
| C08 | C04 | C05 | C06 | 61.7° | 179.9° |
| C08 | C04 | C03 | N02 | 75.2° | 173.8° |
| C08 | C04 | C03 | H1 | 163.5° | 66.4° |
| C08 | C04 | C03 | H2 | 46.2° | 54.0° |
| C04 | C08 | H7 | H8 | 120.0° | 120.0° |
| C04 | C08 | H7 | H9 | 120.0° | 120.0° |
| C04 | C08 | H8 | H9 | 120.0° | 119.9° |
| C08 | C04 | C09 | H10 | 180.0° | 180.0° |
| C08 | C04 | C09 | H11 | 60.0° | 60.0° |
| C08 | C04 | C09 | H12 | 60.0° | 59.9° |
| C04 | C05 | N18 | C06 | 121.4° | 123.0° |
| C04 | C05 | C06 | C07 | 64.5° | 60.0° |
| C05 | C04 | C03 | N02 | 46.3° | 53.8° |
| C05 | C04 | C03 | H1 | 75.0° | 173.6° |
| C05 | C04 | C03 | H2 | 167.6° | 66.1° |
| C04 | C05 | C06 | H3 | 56.0° | 179.9° |
| C04 | C05 | C06 | H4 | 175.0° | 60.0° |
| C05 | C04 | C08 | H7 | 61.9° | 180.0° |
| C05 | C04 | C08 | H8 | 178.1° | 60.0° |
| C05 | C04 | C08 | H9 | 58.1° | 59.9° |
| C05 | C04 | C09 | H10 | 60.7° | 59.9° |
| C05 | C04 | C09 | H11 | 59.3° | 60.0° |
| C05 | C04 | C09 | H12 | 179.3° | 180.0° |
| C04 | C05 | N18 | H17 | 47.7° | 61.5° |
| N18 | C05 | C04 | C03 | 62.4° | 177.2° |
| N18 | C05 | C06 | C07 | 60.9° | 177.2° |
| N18 | C05 | C06 | H3 | 178.6° | 57.3° |
| N18 | C05 | C06 | H4 | 59.6° | 62.8° |
| C06 | C05 | C04 | C03 | 60.7° | 59.9° |
| C05 | C06 | C07 | H3 | 120.5° | 120.0° |
| C05 | C06 | C07 | H4 | 120.5° | 120.0° |
| C05 | C06 | C07 | N02 | 50.0° | 53.8° |
| C05 | C06 | H3 | H4 | 118.5° | 120.0° |
| C05 | C06 | C07 | H5 | 170.8° | 66.0° |
| C05 | C06 | C07 | H6 | 70.7° | 173.6° |
| C06 | C05 | N18 | H17 | 73.8° | 61.5° |
| C04 | C03 | N02 | H1 | 121.3° | 119.8° |
| C04 | C03 | N02 | H2 | 121.3° | 119.9° |
| C04 | C03 | N02 | C07 | 30.6° | 54.1° |
| C04 | C03 | N02 | C01 | 152.5° | 125.8° |
| C04 | C03 | H1 | H2 | 115.8° | 120.4° |
| C03 | C04 | C08 | H7 | 60.2° | 60.0° |
| C03 | C04 | C08 | H8 | 59.7° | 180.0° |
| C03 | C04 | C08 | H9 | 179.8° | 60.1° |
| C03 | C04 | C09 | H10 | 58.5° | 60.0° |
| C03 | C04 | C09 | H11 | 178.6° | 180.0° |
| C03 | C04 | C09 | H12 | 61.5° | 60.0° |
| C06 | C07 | N02 | C03 | 31.3° | 54.1° |
| C06 | C07 | N02 | H5 | 120.8° | 119.8° |
| C06 | C07 | N02 | H6 | 120.8° | 119.7° |
| C06 | C07 | N02 | C01 | 151.9° | 125.8° |
| C07 | C06 | H3 | H4 | 118.4° | 120.1° |
| C06 | C07 | H5 | H6 | 117.6° | 120.3° |
| C03 | N02 | C07 | C01 | 176.8° | 179.9° |
| C03 | N02 | C01 | N10 | 130.7° | 62.3° |
| C03 | N02 | C01 | C14 | 48.4° | 118.0° |
| N02 | C03 | H1 | H2 | 115.8° | 120.3° |
| C03 | N02 | C07 | H5 | 152.1° | 65.7° |
| C03 | N02 | C07 | H6 | 89.5° | 173.9° |
| C07 | N02 | C01 | N10 | 52.7° | 117.7° |
| C07 | N02 | C01 | C14 | 128.1° | 62.0° |
| C07 | N02 | C03 | H1 | 90.7° | 173.9° |
| C07 | N02 | C03 | H2 | 152.0° | 65.8° |
| N02 | C07 | C06 | H3 | 70.4° | 173.8° |
| N02 | C07 | C06 | H4 | 170.6° | 66.1° |
| N02 | C07 | H5 | H6 | 117.6° | 120.4° |
| N02 | C01 | N10 | C14 | 179.2° | 179.7° |
| N02 | C01 | N10 | C15 | 0.6° | 0.3° |
| N02 | C01 | N10 | C11 | 179.8° | 179.7° |
| N02 | C01 | C14 | C13 | 179.8° | 179.8° |
| C01 | N02 | C03 | H1 | 86.2° | 6.0° |
| C01 | N02 | C03 | H2 | 31.1° | 114.2° |
| C01 | N02 | C07 | H5 | 31.1° | 114.4° |
| C01 | N02 | C07 | H6 | 87.4° | 6.1° |
| N02 | C01 | C14 | H14 | 0.2° | 0.3° |
| C01 | N10 | C15 | C11 | 179.7° | 180.0° |
| C01 | N10 | C15 | N16 | 178.3° | 180.0° |
| N10 | C01 | C14 | C13 | 0.6° | 0.1° |
| C01 | N10 | C11 | C17 | 179.8° | 180.0° |
| C01 | N10 | C11 | C12 | 0.1° | 0.1° |
| N10 | C01 | C14 | H14 | 179.4° | 180.0° |
| C01 | N10 | C15 | H15 | 1.7° | 0.1° |
| C14 | C01 | N10 | C15 | 179.8° | 180.0° |
| C14 | C01 | N10 | C11 | 0.6° | 0.0° |
| C01 | C14 | C13 | H14 | 180.0° | 180.0° |
| C01 | C14 | C13 | C12 | 0.2° | 0.0° |
| C01 | C14 | C13 | C24 | 179.1° | 180.0° |
| N10 | C15 | N16 | H15 | 180.0° | 179.9° |
| N10 | C15 | N16 | C17 | 2.4° | 0.0° |
| C15 | N10 | C11 | C17 | 0.1° | 0.0° |
| C15 | N10 | C11 | C12 | 179.8° | 180.0° |
| N16 | C15 | N10 | C11 | 1.4° | 0.0° |
| C15 | N16 | C17 | C11 | 2.4° | 0.0° |
| C15 | N16 | C17 | H16 | 177.6° | 180.0° |
| N10 | C11 | C17 | N16 | 1.6° | 0.0° |
| N10 | C11 | C17 | C12 | 179.9° | 179.9° |
| N10 | C11 | C12 | C13 | 0.3° | 0.1° |
| N10 | C11 | C12 | H13 | 179.7° | 180.0° |
| C11 | N10 | C15 | H15 | 178.6° | 180.0° |
| N10 | C11 | C17 | H16 | 178.4° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C24 | F26 | 35.4° | 60.0° |
| C14 | C13 | C12 | C24 | 179.3° | 180.0° |
| C14 | C13 | C24 | F27 | 155.6° | 180.0° |
| C14 | C13 | C24 | F25 | 84.7° | 60.0° |
| C14 | C13 | C12 | H13 | 179.8° | 180.0° |
| N16 | C17 | C11 | H16 | 180.0° | 180.0° |
| N16 | C17 | C11 | C12 | 178.4° | 179.9° |
| C17 | N16 | C15 | H15 | 177.6° | 180.0° |
| C17 | C11 | C12 | C13 | 179.8° | 180.0° |
| C17 | C11 | C12 | H13 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C24 | 179.5° | 180.0° |
| C12 | C11 | C17 | H16 | 1.6° | 0.0° |
| F26 | C24 | C13 | C12 | 145.3° | 120.0° |
| F26 | C24 | C13 | F27 | 120.2° | 120.0° |
| F26 | C24 | C13 | F25 | 120.1° | 120.0° |
| F26 | C24 | F27 | F25 | 99.0° | 120.0° |
| C12 | C13 | C24 | F27 | 25.1° | 0.1° |
| C12 | C13 | C24 | F25 | 94.7° | 120.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C24 | F27 | F25 | 130.9° | 120.1° |
| C24 | C13 | C12 | H13 | 0.5° | 0.0° |
| C24 | C13 | C14 | H14 | 0.9° | 0.0° |
| H3 | C06 | C07 | H5 | 50.3° | 54.0° |
| H3 | C06 | C07 | H6 | 168.8° | 66.5° |
| H4 | C06 | C07 | H5 | 68.7° | 174.1° |
| H4 | C06 | C07 | H6 | 49.8° | 53.6° |
| H7 | C08 | H8 | H9 | 120.0° | 120.0° |
| H10 | C09 | H11 | H12 | 120.0° | 120.0° |
