YNA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL06 | C05 | sing | 1.74Å | 1.74Å | |
| C07 | N08 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.32Å | 1.34Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.42Å | |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| C23 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| O21 | C20 | sing | 1.36Å | 1.38Å | |
| C20 | C17 | doub | 1.40Å | 1.34Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C02 | C11 | sing | 1.51Å | 1.49Å | |
| C13 | N12 | sing | 1.37Å | 1.30Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.50Å | |
| C15 | C16 | doub | 1.39Å | 1.35Å | Aromatic |
| C11 | N12 | sing | 1.46Å | 1.44Å | |
| C17 | C16 | sing | 1.40Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.43Å | 1.49Å | |
| N12 | C24 | sing | 1.36Å | 1.32Å | Aromatic |
| C14 | C25 | sing | 1.47Å | 1.42Å | Aromatic |
| C18 | N19 | trip | 1.14Å | 1.10Å | |
| C24 | C25 | doub | 1.40Å | 1.37Å | Aromatic |
| C24 | N30 | sing | 1.34Å | 1.45Å | |
| C25 | C26 | sing | 1.41Å | 1.50Å | |
| N30 | C29 | doub | 1.30Å | 1.42Å | |
| C26 | O31 | doub | 1.22Å | 1.18Å | |
| C26 | N27 | sing | 1.35Å | 1.40Å | |
| C29 | N27 | sing | 1.36Å | 1.42Å | |
| N27 | C28 | sing | 1.46Å | 1.44Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL06 | C05 | C07 | 121.2° | 120.5° |
| CL06 | C05 | C04 | 119.9° | 120.5° |
| N08 | C07 | C05 | 121.5° | 120.9° |
| C07 | N08 | C09 | 120.3° | 121.9° |
| N08 | C07 | H071 | 119.2° | 119.6° |
| C07 | C05 | C04 | 118.9° | 119.0° |
| C05 | C07 | H071 | 119.3° | 119.5° |
| N08 | C09 | C10 | 121.4° | 120.8° |
| N08 | C09 | H091 | 119.3° | 119.6° |
| C05 | C04 | C10 | 119.7° | 118.3° |
| C05 | C04 | N03 | 118.7° | 120.8° |
| C09 | C10 | C04 | 118.1° | 119.1° |
| C10 | C09 | H091 | 119.3° | 119.6° |
| C09 | C10 | H101 | 121.0° | 120.4° |
| C10 | C04 | N03 | 121.1° | 120.9° |
| C04 | C10 | H101 | 121.0° | 120.5° |
| C04 | N03 | C02 | 125.0° | 120.0° |
| C04 | N03 | H1 | 117.5° | 120.0° |
| C23 | C22 | C20 | 116.7° | 120.3° |
| C22 | C23 | C15 | 118.4° | 120.2° |
| C22 | C23 | H231 | 120.8° | 119.9° |
| C23 | C22 | H221 | 121.6° | 119.9° |
| C22 | C20 | O21 | 122.0° | 120.1° |
| C22 | C20 | C17 | 124.4° | 119.9° |
| C20 | C22 | H221 | 121.7° | 119.8° |
| N03 | C02 | O01 | 123.4° | 120.0° |
| N03 | C02 | C11 | 111.7° | 120.0° |
| C02 | N03 | H1 | 117.5° | 120.0° |
| C23 | C15 | C14 | 119.6° | 120.0° |
| C23 | C15 | C16 | 123.0° | 120.1° |
| C15 | C23 | H231 | 120.8° | 119.9° |
| O21 | C20 | C17 | 113.5° | 120.0° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| C20 | C17 | C16 | 118.7° | 119.8° |
| C20 | C17 | C18 | 120.2° | 120.1° |
| O01 | C02 | C11 | 124.9° | 120.0° |
| C02 | C11 | N12 | 115.2° | 109.5° |
| C02 | C11 | H112 | 108.0° | 109.4° |
| C02 | C11 | H111 | 108.0° | 109.5° |
| N12 | C13 | C14 | 108.0° | 109.4° |
| C13 | N12 | C11 | 123.5° | 124.8° |
| C13 | N12 | C24 | 110.6° | 110.4° |
| N12 | C13 | H131 | 126.0° | 125.3° |
| C13 | C14 | C15 | 123.2° | 126.8° |
| C13 | C14 | C25 | 107.0° | 106.4° |
| C14 | C13 | H131 | 126.0° | 125.3° |
| C14 | C15 | C16 | 117.3° | 120.0° |
| C15 | C14 | C25 | 129.8° | 126.8° |
| C15 | C16 | C17 | 118.6° | 119.7° |
| C15 | C16 | H161 | 120.7° | 120.1° |
| C11 | N12 | C24 | 125.8° | 124.8° |
| N12 | C11 | H112 | 108.0° | 109.5° |
| N12 | C11 | H111 | 108.0° | 109.5° |
| C16 | C17 | C18 | 121.1° | 120.1° |
| C17 | C16 | H161 | 120.7° | 120.2° |
| C17 | C18 | N19 | 177.6° | 180.0° |
| N12 | C24 | C25 | 110.6° | 107.5° |
| N12 | C24 | N30 | 126.3° | 133.5° |
| C14 | C25 | C24 | 103.8° | 106.3° |
| C14 | C25 | C26 | 136.6° | 134.7° |
| C25 | C24 | N30 | 123.1° | 119.0° |
| C24 | C25 | C26 | 119.7° | 119.0° |
| C24 | N30 | C29 | 117.2° | 121.3° |
| C25 | C26 | O31 | 123.0° | 120.9° |
| C25 | C26 | N27 | 116.3° | 118.1° |
| N30 | C29 | N27 | 120.6° | 122.4° |
| N30 | C29 | H291 | 119.7° | 118.8° |
| O31 | C26 | N27 | 120.7° | 120.9° |
| C26 | N27 | C29 | 123.1° | 120.2° |
| C26 | N27 | C28 | 120.0° | 119.9° |
| C29 | N27 | C28 | 116.9° | 119.9° |
| N27 | C29 | H291 | 119.7° | 118.8° |
| N27 | C28 | H282 | 109.5° | 109.5° |
| N27 | C28 | H283 | 109.5° | 109.5° |
| N27 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H283 | C28 | H281 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL06 | C05 | C07 | N08 | 179.0° | 180.0° |
| CL06 | C05 | C07 | C04 | 178.7° | 179.9° |
| CL06 | C05 | C04 | C10 | 177.4° | 180.0° |
| CL06 | C05 | C04 | N03 | 5.3° | 0.2° |
| CL06 | C05 | C07 | H071 | 1.0° | 0.0° |
| N08 | C07 | C05 | H071 | 180.0° | 180.0° |
| N08 | C07 | C05 | C04 | 2.3° | 0.0° |
| C07 | N08 | C09 | C10 | 0.4° | 0.6° |
| C07 | N08 | C09 | H091 | 179.5° | 180.0° |
| C05 | C07 | N08 | C09 | 0.6° | 0.3° |
| C07 | C05 | C04 | C10 | 3.9° | 0.1° |
| C07 | C05 | C04 | N03 | 176.1° | 179.8° |
| N08 | C09 | C10 | H091 | 180.0° | 179.4° |
| N08 | C09 | C10 | C04 | 2.0° | 0.5° |
| C09 | N08 | C07 | H071 | 179.4° | 179.7° |
| N08 | C09 | C10 | H101 | 178.0° | 179.5° |
| C05 | C04 | C10 | C09 | 3.8° | 0.2° |
| C05 | C04 | C10 | N03 | 171.9° | 179.8° |
| C05 | C04 | N03 | C02 | 159.4° | 155.7° |
| C04 | C05 | C07 | H071 | 177.7° | 179.9° |
| C05 | C04 | C10 | H101 | 176.2° | 179.8° |
| C05 | C04 | N03 | H1 | 20.6° | 24.4° |
| C09 | C10 | C04 | H101 | 180.0° | 180.0° |
| C09 | C10 | C04 | N03 | 175.7° | 180.0° |
| C10 | C04 | N03 | C02 | 28.6° | 24.5° |
| C04 | C10 | C09 | H091 | 177.9° | 179.9° |
| C10 | C04 | N03 | H1 | 151.4° | 155.4° |
| C04 | N03 | C02 | H1 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 6.1° | 5.7° |
| C04 | N03 | C02 | C11 | 173.5° | 174.4° |
| N03 | C04 | C10 | H101 | 4.3° | 0.0° |
| C23 | C22 | C20 | H221 | 180.0° | 180.0° |
| C22 | C23 | C15 | H231 | 180.0° | 179.8° |
| C23 | C22 | C20 | O21 | 178.4° | 180.0° |
| C23 | C22 | C20 | C17 | 1.4° | 0.5° |
| C22 | C23 | C15 | C14 | 178.0° | 179.8° |
| C22 | C23 | C15 | C16 | 1.8° | 0.2° |
| C20 | C22 | C23 | C15 | 0.1° | 0.0° |
| C22 | C20 | O21 | C17 | 179.8° | 179.5° |
| C22 | C20 | C17 | C16 | 0.9° | 0.7° |
| C22 | C20 | C17 | C18 | 179.3° | 179.7° |
| C20 | C22 | C23 | H231 | 179.9° | 179.7° |
| C22 | C20 | O21 | H211 | 180.0° | 90.0° |
| N03 | C02 | O01 | C11 | 179.5° | 180.0° |
| N03 | C02 | C11 | N12 | 150.2° | 180.0° |
| N03 | C02 | C11 | H112 | 29.4° | 60.0° |
| N03 | C02 | C11 | H111 | 88.9° | 59.9° |
| C23 | C15 | C14 | C13 | 29.8° | 128.5° |
| C23 | C15 | C14 | C16 | 176.4° | 180.0° |
| C23 | C15 | C16 | C17 | 2.4° | 0.0° |
| C23 | C15 | C14 | C25 | 151.4° | 50.0° |
| C15 | C23 | C22 | H221 | 179.9° | 180.0° |
| C23 | C15 | C16 | H161 | 177.6° | 180.0° |
| O21 | C20 | C17 | C16 | 178.9° | 179.8° |
| O21 | C20 | C17 | C18 | 0.9° | 0.2° |
| O21 | C20 | C22 | H221 | 1.6° | 0.1° |
| C20 | C17 | C16 | C15 | 1.0° | 0.4° |
| C20 | C17 | C16 | C18 | 179.8° | 179.6° |
| C20 | C17 | C18 | N19 | 163.1° | 88.6° |
| C17 | C20 | C22 | H221 | 178.6° | 179.6° |
| C20 | C17 | C16 | H161 | 179.0° | 179.5° |
| C17 | C20 | O21 | H211 | 0.2° | 90.5° |
| O01 | C02 | C11 | N12 | 30.2° | 0.0° |
| O01 | C02 | C11 | H112 | 151.0° | 120.0° |
| O01 | C02 | C11 | H111 | 90.7° | 120.0° |
| O01 | C02 | N03 | H1 | 173.9° | 174.5° |
| C02 | C11 | N12 | C13 | 88.1° | 95.0° |
| C02 | C11 | N12 | H112 | 120.9° | 120.0° |
| C02 | C11 | N12 | H111 | 120.9° | 120.0° |
| C02 | C11 | N12 | C24 | 94.6° | 83.9° |
| C02 | C11 | H112 | H111 | 117.4° | 120.0° |
| C11 | C02 | N03 | H1 | 6.5° | 5.5° |
| N12 | C13 | C14 | H131 | 180.0° | 179.9° |
| N12 | C13 | C14 | C15 | 179.7° | 179.9° |
| C13 | N12 | C11 | C24 | 177.3° | 178.9° |
| N12 | C13 | C14 | C25 | 0.7° | 1.3° |
| C13 | N12 | C24 | C25 | 0.5° | 0.0° |
| C13 | N12 | C24 | N30 | 179.4° | 179.0° |
| C13 | N12 | C11 | H112 | 32.8° | 145.0° |
| C13 | N12 | C11 | H111 | 151.0° | 25.1° |
| C13 | C14 | C15 | C25 | 178.7° | 178.5° |
| C13 | C14 | C15 | C16 | 146.6° | 51.6° |
| C14 | C13 | N12 | C11 | 178.4° | 179.9° |
| C14 | C13 | N12 | C24 | 0.7° | 0.9° |
| C13 | C14 | C25 | C24 | 0.4° | 1.3° |
| C13 | C14 | C25 | C26 | 179.5° | 179.6° |
| C14 | C15 | C16 | C17 | 178.7° | 180.0° |
| C15 | C14 | C25 | C24 | 179.3° | 180.0° |
| C15 | C14 | C25 | C26 | 1.6° | 0.9° |
| C14 | C15 | C23 | H231 | 2.0° | 0.0° |
| C14 | C15 | C16 | H161 | 1.3° | 0.0° |
| C15 | C14 | C13 | H131 | 0.3° | 0.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 178.8° | 179.9° |
| C16 | C15 | C14 | C25 | 32.2° | 130.0° |
| C16 | C15 | C23 | H231 | 178.2° | 180.0° |
| C11 | N12 | C24 | C25 | 178.1° | 179.1° |
| C11 | N12 | C24 | N30 | 3.0° | 0.0° |
| C11 | N12 | C13 | H131 | 1.6° | 0.1° |
| N12 | C11 | H112 | H111 | 117.3° | 120.0° |
| C16 | C17 | C18 | N19 | 17.2° | 91.0° |
| C18 | C17 | C16 | H161 | 1.2° | 0.1° |
| N12 | C24 | C25 | C14 | 0.0° | 0.8° |
| N12 | C24 | C25 | N30 | 179.0° | 179.2° |
| N12 | C24 | C25 | C26 | 179.3° | 180.0° |
| N12 | C24 | N30 | C29 | 179.9° | 179.5° |
| C24 | N12 | C13 | H131 | 179.2° | 179.2° |
| C24 | N12 | C11 | H112 | 144.5° | 36.1° |
| C24 | N12 | C11 | H111 | 26.2° | 156.0° |
| C14 | C25 | C24 | C26 | 179.3° | 179.3° |
| C14 | C25 | C24 | N30 | 179.0° | 180.0° |
| C14 | C25 | C26 | O31 | 1.9° | 0.5° |
| C14 | C25 | C26 | N27 | 179.6° | 179.5° |
| C25 | C14 | C13 | H131 | 179.3° | 178.7° |
| C25 | C24 | N30 | C29 | 1.1° | 0.5° |
| C24 | C25 | C26 | O31 | 179.1° | 179.4° |
| C24 | C25 | C26 | N27 | 0.5° | 0.5° |
| N30 | C24 | C25 | C26 | 0.3° | 0.8° |
| C24 | N30 | C29 | N27 | 1.0° | 0.0° |
| C24 | N30 | C29 | H291 | 178.9° | 179.7° |
| C25 | C26 | O31 | N27 | 178.5° | 179.9° |
| C25 | C26 | N27 | C29 | 0.6° | 0.0° |
| C25 | C26 | N27 | C28 | 179.7° | 180.0° |
| N30 | C29 | N27 | C26 | 0.2° | 0.3° |
| N30 | C29 | N27 | H291 | 180.0° | 179.8° |
| N30 | C29 | N27 | C28 | 179.5° | 179.7° |
| O31 | C26 | N27 | C29 | 179.1° | 180.0° |
| O31 | C26 | N27 | C28 | 1.1° | 0.0° |
| C26 | N27 | C29 | C28 | 179.7° | 180.0° |
| C26 | N27 | C28 | H282 | 180.0° | 180.0° |
| C26 | N27 | C28 | H283 | 60.0° | 60.0° |
| C26 | N27 | C28 | H281 | 60.0° | 60.0° |
| C26 | N27 | C29 | H291 | 179.8° | 180.0° |
| C29 | N27 | C28 | H282 | 0.2° | 0.0° |
| C29 | N27 | C28 | H283 | 119.8° | 120.0° |
| C29 | N27 | C28 | H281 | 120.3° | 120.0° |
| N27 | C28 | H282 | H283 | 120.0° | 120.0° |
| N27 | C28 | H282 | H281 | 120.0° | 120.0° |
| N27 | C28 | H283 | H281 | 120.0° | 120.0° |
| C28 | N27 | C29 | H291 | 0.5° | 0.1° |
| H282 | C28 | H283 | H281 | 120.0° | 120.0° |
| H231 | C23 | C22 | H221 | 0.1° | 0.2° |
| H091 | C09 | C10 | H101 | 2.1° | 0.0° |
