YNL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | F02 | sing | 1.35Å | 1.34Å | |
| C16 | C10 | sing | 1.48Å | 1.52Å | |
| N05 | C10 | doub | 1.29Å | 1.26Å | |
| N05 | C12 | sing | 1.46Å | 1.46Å | |
| C10 | C08 | sing | 1.47Å | 1.49Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| O03 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | N04 | sing | 1.34Å | 1.34Å | |
| C08 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N04 | C07 | sing | 1.39Å | 1.43Å | |
| N04 | C09 | sing | 1.47Å | 1.47Å | |
| C07 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N06 | sing | 1.47Å | 1.48Å | |
| C18 | CL01 | sing | 1.74Å | 1.79Å | |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N06 | H062 | sing | 1.01Å | 1.00Å | |
| N06 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C21 | 118.8° | 120.3° |
| C23 | C22 | C20 | 120.7° | 120.2° |
| C23 | C22 | H221 | 119.7° | 119.9° |
| C22 | C23 | H231 | 120.6° | 119.8° |
| C23 | C21 | C19 | 120.7° | 120.1° |
| C23 | C21 | H211 | 119.6° | 120.0° |
| C21 | C23 | H231 | 120.6° | 119.8° |
| C22 | C20 | C16 | 120.7° | 119.9° |
| C22 | C20 | H201 | 119.7° | 120.0° |
| C20 | C22 | H221 | 119.6° | 119.9° |
| C21 | C19 | C16 | 120.7° | 119.8° |
| C21 | C19 | F02 | 118.3° | 120.1° |
| C19 | C21 | H211 | 119.6° | 119.9° |
| C20 | C16 | C19 | 118.4° | 119.7° |
| C20 | C16 | C10 | 116.3° | 120.1° |
| C16 | C20 | H201 | 119.7° | 120.1° |
| C16 | C19 | F02 | 120.9° | 120.1° |
| C19 | C16 | C10 | 125.3° | 120.1° |
| C16 | C10 | N05 | 119.5° | 117.6° |
| C16 | C10 | C08 | 124.1° | 117.5° |
| C10 | N05 | C12 | 127.5° | 121.9° |
| N05 | C10 | C08 | 116.0° | 124.9° |
| N05 | C12 | C11 | 106.8° | 108.9° |
| N05 | C12 | H122 | 110.1° | 109.2° |
| N05 | C12 | H121 | 110.1° | 110.1° |
| C10 | C08 | C15 | 115.5° | 117.6° |
| C10 | C08 | C07 | 124.2° | 123.1° |
| C12 | C11 | O03 | 116.1° | 118.9° |
| C12 | C11 | N04 | 120.5° | 121.9° |
| C11 | C12 | H122 | 110.1° | 109.6° |
| C11 | C12 | H121 | 110.1° | 109.6° |
| O03 | C11 | N04 | 123.3° | 119.2° |
| C11 | N04 | C07 | 119.6° | 124.7° |
| C11 | N04 | C09 | 117.9° | 117.4° |
| C15 | C08 | C07 | 120.2° | 119.3° |
| C08 | C15 | C18 | 121.3° | 120.5° |
| C08 | C15 | H151 | 119.4° | 119.7° |
| C08 | C07 | N04 | 124.2° | 123.3° |
| C08 | C07 | C13 | 117.3° | 119.4° |
| C15 | C18 | CL01 | 119.3° | 120.0° |
| C15 | C18 | C17 | 119.2° | 120.0° |
| C18 | C15 | H151 | 119.4° | 119.8° |
| C07 | N04 | C09 | 122.6° | 117.8° |
| N04 | C07 | C13 | 118.5° | 117.3° |
| N04 | C09 | C14 | 113.3° | 109.5° |
| N04 | C09 | H091 | 108.5° | 109.5° |
| N04 | C09 | H092 | 108.5° | 109.5° |
| C07 | C13 | C17 | 122.2° | 120.7° |
| C07 | C13 | H131 | 118.9° | 119.6° |
| C09 | C14 | N06 | 112.9° | 109.5° |
| C14 | C09 | H091 | 108.5° | 109.5° |
| C14 | C09 | H092 | 108.5° | 109.4° |
| C09 | C14 | H142 | 108.6° | 109.5° |
| C09 | C14 | H141 | 108.6° | 109.5° |
| N06 | C14 | H142 | 108.6° | 109.4° |
| N06 | C14 | H141 | 108.6° | 109.5° |
| C14 | N06 | H062 | 109.5° | 111.1° |
| C14 | N06 | H1 | 109.4° | 111.0° |
| CL01 | C18 | C17 | 121.5° | 120.0° |
| C18 | C17 | C13 | 119.9° | 120.1° |
| C18 | C17 | H171 | 120.1° | 119.9° |
| C17 | C13 | H131 | 118.9° | 119.7° |
| C13 | C17 | H171 | 120.0° | 119.9° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.6° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H062 | N06 | H1 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C21 | H231 | 180.0° | 179.8° |
| C23 | C22 | C20 | H221 | 180.0° | 180.0° |
| C22 | C23 | C21 | C19 | 0.5° | 0.3° |
| C23 | C22 | C20 | C16 | 0.8° | 0.0° |
| C23 | C22 | C20 | H201 | 179.2° | 180.0° |
| C22 | C23 | C21 | H211 | 179.4° | 179.8° |
| C21 | C23 | C22 | C20 | 0.2° | 0.3° |
| C23 | C21 | C19 | H211 | 180.0° | 179.9° |
| C23 | C21 | C19 | C16 | 0.1° | 0.0° |
| C23 | C21 | C19 | F02 | 179.6° | 179.9° |
| C21 | C23 | C22 | H221 | 179.8° | 179.7° |
| C22 | C20 | C16 | H201 | 180.0° | 180.0° |
| C22 | C20 | C16 | C19 | 1.4° | 0.3° |
| C22 | C20 | C16 | C10 | 179.6° | 180.0° |
| C20 | C22 | C23 | H231 | 179.8° | 180.0° |
| C21 | C19 | C16 | C20 | 1.0° | 0.3° |
| C21 | C19 | C16 | F02 | 179.5° | 179.9° |
| C21 | C19 | C16 | C10 | 179.1° | 180.0° |
| C19 | C21 | C23 | H231 | 179.5° | 180.0° |
| C20 | C16 | C19 | C10 | 178.0° | 179.7° |
| C20 | C16 | C19 | F02 | 179.4° | 179.8° |
| C20 | C16 | C10 | N05 | 31.6° | 65.4° |
| C20 | C16 | C10 | C08 | 141.6° | 114.4° |
| C16 | C20 | C22 | H221 | 179.2° | 180.0° |
| C19 | C16 | C10 | N05 | 150.4° | 114.9° |
| C19 | C16 | C10 | C08 | 36.5° | 65.4° |
| C19 | C16 | C20 | H201 | 178.6° | 179.7° |
| C16 | C19 | C21 | H211 | 179.9° | 180.0° |
| F02 | C19 | C16 | C10 | 1.4° | 0.1° |
| F02 | C19 | C21 | H211 | 0.4° | 0.0° |
| C16 | C10 | N05 | C08 | 173.7° | 179.7° |
| C16 | C10 | N05 | C12 | 178.4° | 179.9° |
| C16 | C10 | C08 | C15 | 41.1° | 40.3° |
| C16 | C10 | C08 | C07 | 142.4° | 139.7° |
| C10 | C16 | C20 | H201 | 0.4° | 0.0° |
| C10 | N05 | C12 | C11 | 65.9° | 63.7° |
| N05 | C10 | C08 | C15 | 132.2° | 139.5° |
| N05 | C10 | C08 | C07 | 44.2° | 40.6° |
| C10 | N05 | C12 | H122 | 53.7° | 55.9° |
| C10 | N05 | C12 | H121 | 174.5° | 176.2° |
| C12 | N05 | C10 | C08 | 4.7° | 0.3° |
| N05 | C12 | C11 | H122 | 119.6° | 119.3° |
| N05 | C12 | C11 | H121 | 119.6° | 120.5° |
| N05 | C12 | C11 | O03 | 112.0° | 116.3° |
| N05 | C12 | C11 | N04 | 68.4° | 62.9° |
| N05 | C12 | H122 | H121 | 121.2° | 120.7° |
| C10 | C08 | C15 | C07 | 176.6° | 180.0° |
| C10 | C08 | C15 | C18 | 178.0° | 179.9° |
| C10 | C08 | C07 | N04 | 2.9° | 0.4° |
| C10 | C08 | C07 | C13 | 177.8° | 179.9° |
| C10 | C08 | C15 | H151 | 2.0° | 0.1° |
| C12 | C11 | O03 | N04 | 179.6° | 179.2° |
| C12 | C11 | N04 | C07 | 0.0° | 3.6° |
| C12 | C11 | N04 | C09 | 178.1° | 177.3° |
| C11 | C12 | H122 | H121 | 121.2° | 120.2° |
| O03 | C11 | N04 | C07 | 179.6° | 177.2° |
| O03 | C11 | N04 | C09 | 1.5° | 1.9° |
| O03 | C11 | C12 | H122 | 128.4° | 124.3° |
| O03 | C11 | C12 | H121 | 7.6° | 4.1° |
| C11 | N04 | C07 | C08 | 44.9° | 41.1° |
| C11 | N04 | C07 | C09 | 177.9° | 179.1° |
| C11 | N04 | C07 | C13 | 135.8° | 139.1° |
| C11 | N04 | C09 | C14 | 140.5° | 84.8° |
| C11 | N04 | C09 | H091 | 98.9° | 155.2° |
| C11 | N04 | C09 | H092 | 19.9° | 35.1° |
| N04 | C11 | C12 | H122 | 51.2° | 56.5° |
| N04 | C11 | C12 | H121 | 172.0° | 176.7° |
| C08 | C15 | C18 | H151 | 180.0° | 180.0° |
| C15 | C08 | C07 | N04 | 179.3° | 179.6° |
| C15 | C08 | C07 | C13 | 1.5° | 0.2° |
| C08 | C15 | C18 | CL01 | 179.5° | 180.0° |
| C08 | C15 | C18 | C17 | 0.5° | 0.0° |
| C07 | C08 | C15 | C18 | 1.4° | 0.1° |
| C08 | C07 | N04 | C13 | 179.3° | 179.8° |
| C08 | C07 | N04 | C09 | 137.1° | 139.8° |
| C08 | C07 | C13 | C17 | 0.8° | 0.1° |
| C08 | C07 | C13 | H131 | 179.2° | 179.9° |
| C07 | C08 | C15 | H151 | 178.7° | 179.9° |
| C15 | C18 | CL01 | C17 | 180.0° | 180.0° |
| C15 | C18 | C17 | C13 | 0.2° | 0.1° |
| C15 | C18 | C17 | H171 | 179.9° | 179.9° |
| C07 | N04 | C09 | C14 | 41.5° | 96.0° |
| N04 | C07 | C13 | C17 | 179.9° | 179.7° |
| C07 | N04 | C09 | H091 | 79.1° | 24.0° |
| C07 | N04 | C09 | H092 | 162.1° | 144.1° |
| N04 | C07 | C13 | H131 | 0.1° | 0.3° |
| C09 | N04 | C07 | C13 | 42.1° | 40.0° |
| N04 | C09 | C14 | H091 | 120.6° | 120.0° |
| N04 | C09 | C14 | H092 | 120.6° | 120.0° |
| N04 | C09 | C14 | N06 | 110.6° | 175.0° |
| N04 | C09 | H091 | H092 | 118.2° | 120.0° |
| N04 | C09 | C14 | H142 | 128.9° | 55.0° |
| N04 | C09 | C14 | H141 | 9.9° | 64.9° |
| C07 | C13 | C17 | C18 | 0.0° | 0.1° |
| C07 | C13 | C17 | H131 | 180.0° | 179.9° |
| C07 | C13 | C17 | H171 | 180.0° | 179.9° |
| C09 | C14 | N06 | H142 | 120.5° | 120.1° |
| C09 | C14 | N06 | H141 | 120.5° | 120.1° |
| C14 | C09 | H091 | H092 | 118.3° | 120.0° |
| C09 | C14 | H142 | H141 | 118.4° | 120.0° |
| C09 | C14 | N06 | H062 | 180.0° | 180.0° |
| C09 | C14 | N06 | H1 | 60.0° | 56.0° |
| N06 | C14 | C09 | H091 | 10.0° | 55.0° |
| N06 | C14 | C09 | H092 | 128.8° | 65.0° |
| N06 | C14 | H142 | H141 | 118.4° | 119.9° |
| C14 | N06 | H062 | H1 | 120.0° | 124.0° |
| CL01 | C18 | C17 | C13 | 179.9° | 179.9° |
| CL01 | C18 | C15 | H151 | 0.5° | 0.0° |
| CL01 | C18 | C17 | H171 | 0.1° | 0.1° |
| C18 | C17 | C13 | H171 | 180.0° | 179.8° |
| C18 | C17 | C13 | H131 | 180.0° | 180.0° |
| C17 | C18 | C15 | H151 | 179.5° | 180.0° |
| H091 | C09 | C14 | H142 | 110.5° | 64.9° |
| H091 | C09 | C14 | H141 | 130.5° | 175.1° |
| H092 | C09 | C14 | H142 | 8.3° | 175.0° |
| H092 | C09 | C14 | H141 | 110.7° | 55.0° |
| H131 | C13 | C17 | H171 | 0.0° | 0.1° |
| H142 | C14 | N06 | H062 | 59.5° | 59.9° |
| H142 | C14 | N06 | H1 | 179.5° | 176.1° |
| H141 | C14 | N06 | H062 | 59.5° | 60.0° |
| H141 | C14 | N06 | H1 | 60.5° | 64.0° |
| H201 | C20 | C22 | H221 | 0.8° | 0.0° |
| H211 | C21 | C23 | H231 | 0.6° | 0.0° |
| H221 | C22 | C23 | H231 | 0.2° | 0.0° |
