RY5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N3 | sing | 1.21Å | 1.42Å | Aromatic |
| O2 | C13 | sing | 1.34Å | 1.34Å | Aromatic |
| N3 | C11 | doub | 1.30Å | 1.30Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| O3 | C14 | doub | 1.21Å | 1.22Å | |
| N2 | C14 | sing | 1.35Å | 1.37Å | |
| N2 | C9 | sing | 1.34Å | 1.40Å | |
| C14 | C8 | sing | 1.51Å | 1.56Å | |
| O1 | C9 | doub | 1.22Å | 1.22Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | N1 | sing | 1.46Å | 1.46Å | |
| C8 | C4 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.74Å | |
| C1 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | O2 | C13 | 108.8° | 111.5° |
| O2 | N3 | C11 | 105.8° | 111.7° |
| O2 | C13 | C12 | 108.0° | 106.5° |
| O2 | C13 | H4 | 126.0° | 126.8° |
| N3 | C11 | C10 | 120.4° | 126.8° |
| N3 | C11 | C12 | 110.3° | 106.4° |
| C13 | C12 | C11 | 107.0° | 104.0° |
| C13 | C12 | H3 | 126.5° | 128.0° |
| C12 | C13 | H4 | 126.0° | 126.7° |
| C10 | C11 | C12 | 129.2° | 126.8° |
| C11 | C10 | N2 | 108.7° | 109.4° |
| C11 | C10 | H1 | 109.6° | 109.5° |
| C11 | C10 | H2 | 109.6° | 109.5° |
| C11 | C12 | H3 | 126.5° | 128.0° |
| C10 | N2 | C14 | 123.6° | 124.2° |
| C10 | N2 | C9 | 125.1° | 124.2° |
| N2 | C10 | H1 | 109.7° | 109.4° |
| N2 | C10 | H2 | 109.6° | 109.5° |
| O3 | C14 | N2 | 126.9° | 127.4° |
| O3 | C14 | C8 | 125.9° | 127.4° |
| C14 | N2 | C9 | 110.8° | 111.6° |
| N2 | C14 | C8 | 107.0° | 105.2° |
| N2 | C9 | O1 | 124.6° | 123.8° |
| N2 | C9 | N1 | 108.7° | 112.4° |
| C14 | C8 | N1 | 100.7° | 104.6° |
| C14 | C8 | C4 | 106.6° | 111.6° |
| C14 | C8 | C7 | 114.4° | 111.4° |
| O1 | C9 | N1 | 126.6° | 123.8° |
| C9 | N1 | C8 | 112.4° | 106.2° |
| C9 | N1 | H12 | 123.8° | 126.8° |
| C2 | C3 | C4 | 119.1° | 120.4° |
| C3 | C2 | C1 | 119.1° | 119.9° |
| C3 | C2 | H6 | 120.4° | 120.0° |
| C2 | C3 | H7 | 120.4° | 119.8° |
| C3 | C4 | C8 | 129.7° | 131.0° |
| C3 | C4 | C5 | 121.1° | 119.7° |
| C4 | C3 | H7 | 120.5° | 119.8° |
| C2 | C1 | CL1 | 118.6° | 120.0° |
| C2 | C1 | C15 | 122.4° | 119.9° |
| C1 | C2 | H6 | 120.4° | 120.1° |
| N1 | C8 | C4 | 117.6° | 111.8° |
| N1 | C8 | C7 | 113.8° | 111.4° |
| C8 | N1 | H12 | 123.8° | 127.0° |
| C4 | C8 | C7 | 104.0° | 106.2° |
| C8 | C4 | C5 | 109.0° | 109.4° |
| C8 | C7 | C6 | 104.6° | 102.1° |
| C8 | C7 | H10 | 110.7° | 111.0° |
| C8 | C7 | H11 | 110.7° | 110.9° |
| C4 | C5 | C15 | 120.3° | 119.9° |
| C4 | C5 | C6 | 111.8° | 109.7° |
| CL1 | C1 | C15 | 119.0° | 120.1° |
| C1 | C15 | C5 | 117.9° | 120.3° |
| C1 | C15 | H5 | 121.0° | 119.9° |
| C15 | C5 | C6 | 127.9° | 130.4° |
| C5 | C15 | H5 | 121.1° | 119.8° |
| C5 | C6 | C7 | 103.4° | 105.2° |
| C5 | C6 | H8 | 110.9° | 110.3° |
| C5 | C6 | H9 | 110.9° | 110.3° |
| C7 | C6 | H8 | 111.0° | 110.3° |
| C7 | C6 | H9 | 111.0° | 110.4° |
| C6 | C7 | H10 | 110.7° | 110.9° |
| C6 | C7 | H11 | 110.7° | 110.9° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 110.2° |
| H10 | C7 | H11 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | O2 | C13 | C12 | 0.2° | 0.3° |
| O2 | N3 | C11 | C10 | 179.0° | 179.8° |
| O2 | N3 | C11 | C12 | 0.3° | 0.5° |
| N3 | O2 | C13 | H4 | 179.8° | 179.7° |
| C13 | O2 | N3 | C11 | 0.0° | 0.5° |
| O2 | C13 | C12 | H4 | 180.0° | 180.0° |
| O2 | C13 | C12 | C11 | 0.3° | 0.0° |
| O2 | C13 | C12 | H3 | 179.7° | 180.0° |
| N3 | C11 | C12 | C13 | 0.4° | 0.3° |
| N3 | C11 | C10 | C12 | 178.5° | 179.6° |
| N3 | C11 | C10 | N2 | 137.4° | 85.3° |
| N3 | C11 | C10 | H1 | 102.7° | 34.6° |
| N3 | C11 | C10 | H2 | 17.6° | 154.6° |
| N3 | C11 | C12 | H3 | 179.6° | 179.7° |
| C13 | C12 | C11 | C10 | 179.0° | 179.9° |
| C13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C11 | C10 | N2 | H1 | 119.9° | 120.0° |
| C11 | C10 | N2 | H2 | 119.9° | 120.0° |
| C11 | C10 | N2 | C14 | 65.9° | 90.0° |
| C11 | C10 | N2 | C9 | 122.8° | 90.0° |
| C11 | C10 | H1 | H2 | 120.3° | 120.0° |
| C10 | C11 | C12 | H3 | 1.0° | 0.0° |
| C12 | C11 | C10 | N2 | 41.1° | 95.0° |
| C12 | C11 | C10 | H1 | 78.8° | 145.0° |
| C12 | C11 | C10 | H2 | 161.0° | 25.0° |
| C11 | C12 | C13 | H4 | 179.7° | 180.0° |
| C10 | N2 | C14 | O3 | 6.1° | 0.0° |
| C10 | N2 | C14 | C9 | 172.4° | 180.0° |
| C10 | N2 | C14 | C8 | 169.2° | 180.0° |
| C10 | N2 | C9 | O1 | 11.8° | 0.0° |
| C10 | N2 | C9 | N1 | 166.3° | 180.0° |
| N2 | C10 | H1 | H2 | 120.4° | 120.0° |
| O3 | C14 | N2 | C8 | 175.3° | 180.0° |
| O3 | C14 | N2 | C9 | 178.5° | 180.0° |
| O3 | C14 | C8 | N1 | 174.9° | 180.0° |
| O3 | C14 | C8 | C4 | 51.6° | 59.0° |
| O3 | C14 | C8 | C7 | 62.7° | 59.5° |
| C14 | N2 | C9 | O1 | 175.9° | 180.0° |
| C14 | N2 | C9 | N1 | 6.0° | 0.0° |
| N2 | C14 | C8 | N1 | 0.5° | 0.0° |
| N2 | C14 | C8 | C4 | 123.7° | 121.1° |
| N2 | C14 | C8 | C7 | 122.0° | 120.4° |
| C14 | N2 | C10 | H1 | 174.3° | 30.0° |
| C14 | N2 | C10 | H2 | 54.0° | 150.0° |
| C9 | N2 | C14 | C8 | 3.2° | 0.0° |
| N2 | C9 | O1 | N1 | 177.7° | 180.0° |
| N2 | C9 | N1 | C8 | 6.4° | 0.0° |
| C9 | N2 | C10 | H1 | 3.0° | 150.0° |
| C9 | N2 | C10 | H2 | 117.3° | 30.0° |
| N2 | C9 | N1 | H12 | 173.6° | 180.0° |
| C14 | C8 | N1 | C9 | 4.2° | 0.0° |
| C14 | C8 | C4 | C3 | 71.5° | 75.0° |
| C14 | C8 | N1 | C4 | 115.2° | 121.0° |
| C14 | C8 | N1 | C7 | 122.9° | 120.4° |
| C14 | C8 | C4 | C7 | 121.2° | 121.6° |
| C14 | C8 | C4 | C5 | 103.4° | 105.0° |
| C14 | C8 | C7 | C6 | 89.6° | 96.1° |
| C14 | C8 | C7 | H10 | 29.6° | 145.7° |
| C14 | C8 | C7 | H11 | 151.1° | 22.1° |
| C14 | C8 | N1 | H12 | 175.8° | 180.0° |
| O1 | C9 | N1 | C8 | 175.6° | 180.0° |
| O1 | C9 | N1 | H12 | 4.5° | 0.0° |
| C9 | N1 | C8 | H12 | 180.0° | 180.0° |
| C9 | N1 | C8 | C4 | 119.4° | 121.0° |
| C9 | N1 | C8 | C7 | 118.7° | 120.4° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C3 | C2 | C1 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | C8 | 177.0° | 179.6° |
| C2 | C3 | C4 | C5 | 2.7° | 0.4° |
| C3 | C2 | C1 | CL1 | 179.9° | 179.9° |
| C3 | C2 | C1 | C15 | 0.3° | 0.4° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C3 | C4 | C8 | N1 | 40.5° | 41.8° |
| C3 | C4 | C8 | C5 | 174.9° | 180.0° |
| C3 | C4 | C8 | C7 | 167.3° | 163.5° |
| C3 | C4 | C5 | C15 | 2.5° | 0.5° |
| C3 | C4 | C5 | C6 | 177.4° | 179.6° |
| C4 | C3 | C2 | H6 | 178.7° | 180.0° |
| C2 | C1 | CL1 | C15 | 179.6° | 179.7° |
| C2 | C1 | C15 | C5 | 0.5° | 0.3° |
| C2 | C1 | C15 | H5 | 179.5° | 179.7° |
| C1 | C2 | C3 | H7 | 178.7° | 180.0° |
| N1 | C8 | C4 | C7 | 126.8° | 121.6° |
| N1 | C8 | C4 | C5 | 144.7° | 138.2° |
| N1 | C8 | C7 | C6 | 155.4° | 147.5° |
| N1 | C8 | C7 | H10 | 85.3° | 29.3° |
| N1 | C8 | C7 | H11 | 36.1° | 94.2° |
| C8 | C4 | C5 | C15 | 177.9° | 179.5° |
| C8 | C4 | C5 | C6 | 2.1° | 0.4° |
| C4 | C8 | C7 | C6 | 26.2° | 25.7° |
| C8 | C4 | C3 | H7 | 3.0° | 0.4° |
| C4 | C8 | C7 | H10 | 145.4° | 92.6° |
| C4 | C8 | C7 | H11 | 93.1° | 143.9° |
| C4 | C8 | N1 | H12 | 60.6° | 59.0° |
| C7 | C8 | C4 | C5 | 17.8° | 16.6° |
| C8 | C7 | C6 | C5 | 24.8° | 25.6° |
| C8 | C7 | C6 | H10 | 119.3° | 118.3° |
| C8 | C7 | C6 | H11 | 119.3° | 118.2° |
| C8 | C7 | C6 | H8 | 143.8° | 144.6° |
| C8 | C7 | C6 | H9 | 94.2° | 93.4° |
| C8 | C7 | H10 | H11 | 122.2° | 123.7° |
| C7 | C8 | N1 | H12 | 61.4° | 59.6° |
| C4 | C5 | C15 | C1 | 0.9° | 0.1° |
| C4 | C5 | C15 | C6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 14.7° | 17.0° |
| C4 | C5 | C15 | H5 | 179.1° | 179.9° |
| C5 | C4 | C3 | H7 | 177.3° | 179.6° |
| C4 | C5 | C6 | H8 | 133.7° | 135.9° |
| C4 | C5 | C6 | H9 | 104.3° | 102.1° |
| CL1 | C1 | C15 | C5 | 179.9° | 180.0° |
| CL1 | C1 | C15 | H5 | 0.1° | 0.0° |
| CL1 | C1 | C2 | H6 | 0.1° | 0.1° |
| C1 | C15 | C5 | H5 | 180.0° | 180.0° |
| C1 | C15 | C5 | C6 | 179.0° | 180.0° |
| C15 | C1 | C2 | H6 | 179.7° | 179.6° |
| C15 | C5 | C6 | C7 | 165.3° | 162.9° |
| C15 | C5 | C6 | H8 | 46.3° | 44.0° |
| C15 | C5 | C6 | H9 | 75.6° | 78.0° |
| C5 | C6 | C7 | H8 | 119.0° | 118.9° |
| C5 | C6 | C7 | H9 | 119.0° | 119.0° |
| C6 | C5 | C15 | H5 | 0.9° | 0.1° |
| C5 | C6 | H8 | H9 | 122.8° | 122.0° |
| C5 | C6 | C7 | H10 | 144.0° | 92.7° |
| C5 | C6 | C7 | H11 | 94.5° | 143.9° |
| C7 | C6 | H8 | H9 | 122.8° | 122.2° |
| C6 | C7 | H10 | H11 | 122.2° | 123.5° |
| H3 | C12 | C13 | H4 | 0.3° | 0.0° |
| H6 | C2 | C3 | H7 | 1.3° | 0.0° |
| H8 | C6 | C7 | H10 | 97.0° | 26.2° |
| H8 | C6 | C7 | H11 | 24.5° | 97.2° |
| H9 | C6 | C7 | H10 | 25.0° | 148.3° |
| H9 | C6 | C7 | H11 | 146.5° | 24.9° |
