YCR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C19 | sing | 1.35Å | 1.40Å | |
| O18 | C16 | doub | 1.22Å | 1.19Å | |
| C11 | C06 | sing | 1.51Å | 1.53Å | |
| C19 | N20 | sing | 1.35Å | 1.33Å | Aromatic |
| C19 | C17 | doub | 1.39Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.52Å | |
| C16 | C01 | sing | 1.48Å | 1.50Å | |
| C23 | N20 | sing | 1.46Å | 1.44Å | |
| N20 | N21 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.42Å | 1.39Å | Aromatic |
| C06 | C01 | doub | 1.39Å | 1.51Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.55Å | Aromatic |
| O12 | C10 | doub | 1.22Å | 1.18Å | |
| C01 | C02 | sing | 1.40Å | 1.51Å | Aromatic |
| N26 | C25 | doub | 1.32Å | 1.49Å | Aromatic |
| N26 | C27 | sing | 1.32Å | 1.49Å | Aromatic |
| N21 | C22 | doub | 1.30Å | 1.32Å | Aromatic |
| C25 | C15 | sing | 1.39Å | 1.52Å | Aromatic |
| C10 | C05 | sing | 1.47Å | 1.51Å | |
| C10 | N09 | sing | 1.35Å | 1.44Å | |
| C22 | C31 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | doub | 1.41Å | 1.48Å | Aromatic |
| C02 | C03 | doub | 1.37Å | 1.51Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.53Å | Aromatic |
| C15 | N09 | sing | 1.40Å | 1.44Å | |
| C15 | C29 | doub | 1.39Å | 1.48Å | Aromatic |
| N09 | C08 | sing | 1.34Å | 1.50Å | |
| C04 | C03 | sing | 1.39Å | 1.55Å | Aromatic |
| C04 | N07 | sing | 1.38Å | 1.46Å | |
| C28 | C29 | sing | 1.39Å | 1.48Å | Aromatic |
| C28 | CL1 | sing | 1.74Å | 1.77Å | |
| C08 | N07 | sing | 1.34Å | 1.48Å | |
| C08 | O13 | doub | 1.22Å | 1.18Å | |
| N07 | C14 | sing | 1.46Å | 1.45Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| O24 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C19 | N20 | 127.3° | 126.4° |
| O24 | C19 | C17 | 124.8° | 126.4° |
| C19 | O24 | H1 | 109.5° | 114.1° |
| O18 | C16 | C17 | 122.5° | 120.0° |
| O18 | C16 | C01 | 118.4° | 120.0° |
| C11 | C06 | C01 | 117.8° | 120.4° |
| C11 | C06 | C05 | 124.6° | 120.4° |
| C06 | C11 | H4 | 109.5° | 109.5° |
| C06 | C11 | H5 | 109.5° | 109.5° |
| C06 | C11 | H6 | 109.5° | 109.4° |
| N20 | C19 | C17 | 107.9° | 107.2° |
| C19 | N20 | C23 | 126.2° | 125.7° |
| C19 | N20 | N21 | 108.6° | 108.6° |
| C19 | C17 | C16 | 121.2° | 126.5° |
| C19 | C17 | C22 | 108.0° | 107.0° |
| C17 | C16 | C01 | 119.0° | 120.0° |
| C16 | C17 | C22 | 130.8° | 126.5° |
| C16 | C01 | C06 | 119.5° | 120.0° |
| C16 | C01 | C02 | 117.5° | 119.9° |
| C23 | N20 | N21 | 125.1° | 125.7° |
| N20 | C23 | H10 | 109.5° | 109.5° |
| N20 | C23 | H11 | 109.5° | 109.5° |
| N20 | C23 | H12 | 109.5° | 109.5° |
| N20 | N21 | C22 | 108.1° | 109.2° |
| C17 | C22 | N21 | 107.4° | 108.1° |
| C17 | C22 | C31 | 131.1° | 125.9° |
| C01 | C06 | C05 | 117.6° | 119.2° |
| C06 | C01 | C02 | 122.9° | 120.1° |
| C06 | C05 | C10 | 121.9° | 121.7° |
| C06 | C05 | C04 | 119.7° | 120.1° |
| O12 | C10 | C05 | 122.2° | 120.9° |
| O12 | C10 | N09 | 117.4° | 120.9° |
| C01 | C02 | C03 | 119.3° | 120.6° |
| C01 | C02 | H2 | 120.4° | 119.7° |
| C25 | N26 | C27 | 119.7° | 121.8° |
| N26 | C25 | C15 | 120.0° | 120.7° |
| N26 | C25 | H13 | 120.0° | 119.6° |
| N26 | C27 | C28 | 119.2° | 120.9° |
| N26 | C27 | H14 | 120.4° | 119.5° |
| N21 | C22 | C31 | 121.5° | 125.9° |
| C25 | C15 | N09 | 119.2° | 120.5° |
| C25 | C15 | C29 | 120.9° | 119.0° |
| C15 | C25 | H13 | 120.0° | 119.6° |
| C05 | C10 | N09 | 120.4° | 118.3° |
| C10 | C05 | C04 | 118.4° | 118.2° |
| C10 | N09 | C15 | 117.7° | 119.4° |
| C10 | N09 | C08 | 120.8° | 121.2° |
| C22 | C31 | H16 | 109.5° | 109.5° |
| C22 | C31 | H17 | 109.5° | 109.4° |
| C22 | C31 | H18 | 109.4° | 109.4° |
| C05 | C04 | C03 | 122.2° | 119.8° |
| C05 | C04 | N07 | 121.4° | 118.7° |
| C02 | C03 | C04 | 118.2° | 120.1° |
| C03 | C02 | H2 | 120.4° | 119.7° |
| C02 | C03 | H3 | 120.9° | 119.9° |
| C27 | C28 | C29 | 121.4° | 119.2° |
| C27 | C28 | CL1 | 121.3° | 120.4° |
| C28 | C27 | H14 | 120.4° | 119.6° |
| N09 | C15 | C29 | 119.8° | 120.5° |
| C15 | N09 | C08 | 121.5° | 119.4° |
| C15 | C29 | C28 | 118.7° | 118.3° |
| C15 | C29 | H15 | 120.6° | 120.8° |
| N09 | C08 | N07 | 119.2° | 122.9° |
| N09 | C08 | O13 | 121.0° | 118.6° |
| C03 | C04 | N07 | 116.4° | 121.5° |
| C04 | C03 | H3 | 120.9° | 120.0° |
| C04 | N07 | C08 | 119.9° | 120.7° |
| C04 | N07 | C14 | 119.2° | 119.6° |
| C29 | C28 | CL1 | 117.3° | 120.4° |
| C28 | C29 | H15 | 120.7° | 120.9° |
| N07 | C08 | O13 | 119.8° | 118.5° |
| C08 | N07 | C14 | 120.9° | 119.7° |
| N07 | C14 | H7 | 109.5° | 109.5° |
| N07 | C14 | H8 | 109.5° | 109.5° |
| N07 | C14 | H9 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H7 | C14 | H8 | 109.4° | 109.4° |
| H7 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H10 | C23 | H12 | 109.5° | 109.4° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H16 | C31 | H18 | 109.5° | 109.5° |
| H17 | C31 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C19 | N20 | C17 | 179.4° | 179.8° |
| O24 | C19 | C17 | C16 | 1.5° | 0.1° |
| O24 | C19 | N20 | C23 | 0.5° | 0.2° |
| O24 | C19 | N20 | N21 | 179.5° | 180.0° |
| O24 | C19 | C17 | C22 | 179.8° | 179.8° |
| O18 | C16 | C17 | C19 | 6.2° | 86.4° |
| O18 | C16 | C17 | C01 | 176.4° | 180.0° |
| O18 | C16 | C17 | C22 | 175.4° | 93.2° |
| O18 | C16 | C01 | C06 | 77.1° | 7.0° |
| O18 | C16 | C01 | C02 | 103.4° | 173.1° |
| C11 | C06 | C01 | C16 | 0.6° | 0.1° |
| C11 | C06 | C01 | C05 | 179.4° | 180.0° |
| C11 | C06 | C01 | C02 | 180.0° | 180.0° |
| C11 | C06 | C05 | C10 | 0.2° | 0.1° |
| C11 | C06 | C05 | C04 | 179.8° | 180.0° |
| C06 | C11 | H4 | H5 | 120.0° | 120.0° |
| C06 | C11 | H4 | H6 | 120.0° | 120.0° |
| C06 | C11 | H5 | H6 | 120.0° | 120.0° |
| N20 | C19 | C17 | C16 | 179.1° | 179.7° |
| C19 | N20 | C23 | N21 | 180.0° | 179.7° |
| N20 | C19 | C17 | C22 | 0.4° | 0.0° |
| C19 | N20 | N21 | C22 | 0.3° | 0.4° |
| C19 | N20 | C23 | H10 | 180.0° | 90.0° |
| C19 | N20 | C23 | H11 | 59.9° | 150.0° |
| C19 | N20 | C23 | H12 | 60.0° | 29.9° |
| N20 | C19 | O24 | H1 | 178.3° | 94.9° |
| C19 | C17 | C16 | C22 | 178.4° | 179.7° |
| C19 | C17 | C16 | C01 | 170.2° | 93.5° |
| C17 | C19 | N20 | C23 | 179.9° | 180.0° |
| C17 | C19 | N20 | N21 | 0.1° | 0.2° |
| C19 | C17 | C22 | N21 | 0.6° | 0.3° |
| C19 | C17 | C22 | C31 | 179.7° | 179.8° |
| C17 | C19 | O24 | H1 | 1.0° | 85.3° |
| C17 | C16 | C01 | C06 | 106.4° | 173.1° |
| C17 | C16 | C01 | C02 | 73.1° | 6.9° |
| C16 | C17 | C22 | N21 | 179.2° | 180.0° |
| C16 | C17 | C22 | C31 | 1.8° | 0.1° |
| C01 | C16 | C17 | C22 | 8.2° | 86.8° |
| C16 | C01 | C06 | C02 | 179.4° | 179.9° |
| C16 | C01 | C06 | C05 | 180.0° | 180.0° |
| C16 | C01 | C02 | C03 | 179.6° | 179.9° |
| C16 | C01 | C02 | H2 | 0.4° | 0.0° |
| C23 | N20 | N21 | C22 | 179.7° | 179.9° |
| N20 | C23 | H10 | H11 | 120.0° | 120.1° |
| N20 | C23 | H10 | H12 | 120.0° | 120.0° |
| N20 | C23 | H11 | H12 | 120.0° | 120.1° |
| N20 | N21 | C22 | C17 | 0.6° | 0.4° |
| N20 | N21 | C22 | C31 | 179.8° | 179.6° |
| N21 | N20 | C23 | H10 | 0.0° | 90.3° |
| N21 | N20 | C23 | H11 | 120.0° | 29.7° |
| N21 | N20 | C23 | H12 | 120.0° | 149.7° |
| C17 | C22 | N21 | C31 | 179.2° | 179.9° |
| C17 | C22 | C31 | H16 | 179.0° | 90.0° |
| C17 | C22 | C31 | H17 | 61.0° | 150.0° |
| C17 | C22 | C31 | H18 | 59.0° | 30.0° |
| C01 | C06 | C05 | C10 | 179.6° | 179.9° |
| C01 | C06 | C05 | C04 | 0.4° | 0.0° |
| C06 | C01 | C02 | C03 | 0.2° | 0.0° |
| C06 | C01 | C02 | H2 | 179.9° | 179.9° |
| C01 | C06 | C11 | H4 | 90.3° | 83.9° |
| C01 | C06 | C11 | H5 | 149.7° | 156.1° |
| C01 | C06 | C11 | H6 | 29.8° | 36.1° |
| C06 | C05 | C10 | O12 | 0.0° | 0.3° |
| C05 | C06 | C01 | C02 | 0.6° | 0.0° |
| C06 | C05 | C10 | C04 | 180.0° | 179.9° |
| C06 | C05 | C10 | N09 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.2° | 0.0° |
| C06 | C05 | C04 | N07 | 179.8° | 180.0° |
| C05 | C06 | C11 | H4 | 90.4° | 96.1° |
| C05 | C06 | C11 | H5 | 29.7° | 23.9° |
| C05 | C06 | C11 | H6 | 149.6° | 143.9° |
| O12 | C10 | C05 | N09 | 179.8° | 179.7° |
| O12 | C10 | C05 | C04 | 180.0° | 179.7° |
| O12 | C10 | N09 | C15 | 0.8° | 0.3° |
| O12 | C10 | N09 | C08 | 179.9° | 179.7° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.5° | 0.0° |
| C01 | C02 | C03 | H3 | 179.6° | 180.0° |
| N26 | C25 | C15 | H13 | 180.0° | 180.0° |
| C25 | N26 | C27 | C28 | 0.2° | 0.2° |
| N26 | C25 | C15 | N09 | 179.7° | 180.0° |
| N26 | C25 | C15 | C29 | 0.7° | 0.2° |
| C25 | N26 | C27 | H14 | 179.8° | 180.0° |
| C27 | N26 | C25 | C15 | 0.3° | 0.0° |
| N26 | C27 | C28 | H14 | 180.0° | 179.8° |
| N26 | C27 | C28 | C29 | 0.4° | 0.2° |
| N26 | C27 | C28 | CL1 | 179.9° | 179.7° |
| C27 | N26 | C25 | H13 | 179.7° | 179.9° |
| N21 | C22 | C31 | H16 | 0.0° | 89.9° |
| N21 | C22 | C31 | H17 | 120.0° | 30.1° |
| N21 | C22 | C31 | H18 | 120.0° | 150.1° |
| C25 | C15 | N09 | C10 | 93.4° | 99.4° |
| C25 | C15 | N09 | C29 | 179.0° | 179.7° |
| C25 | C15 | N09 | C08 | 85.9° | 80.6° |
| C25 | C15 | C29 | C28 | 0.8° | 0.2° |
| C25 | C15 | C29 | H15 | 179.2° | 179.7° |
| C05 | C10 | N09 | C15 | 179.4° | 180.0° |
| C05 | C10 | N09 | C08 | 0.1° | 0.0° |
| C10 | C05 | C04 | C03 | 179.8° | 180.0° |
| C10 | C05 | C04 | N07 | 0.2° | 0.1° |
| N09 | C10 | C05 | C04 | 0.2° | 0.1° |
| C10 | N09 | C15 | C08 | 179.2° | 180.0° |
| C10 | N09 | C15 | C29 | 85.7° | 80.3° |
| C10 | N09 | C08 | N07 | 0.1° | 0.0° |
| C10 | N09 | C08 | O13 | 179.9° | 180.0° |
| C22 | C31 | H16 | H17 | 120.0° | 120.0° |
| C22 | C31 | H16 | H18 | 120.0° | 120.0° |
| C22 | C31 | H17 | H18 | 120.0° | 119.9° |
| C05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C05 | C04 | C03 | N07 | 179.6° | 179.9° |
| C05 | C04 | N07 | C08 | 0.1° | 0.1° |
| C05 | C04 | N07 | C14 | 179.9° | 180.0° |
| C05 | C04 | C03 | H3 | 179.4° | 180.0° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C02 | C03 | C04 | N07 | 179.7° | 180.0° |
| C27 | C28 | C29 | C15 | 0.7° | 0.0° |
| C27 | C28 | C29 | CL1 | 179.5° | 179.9° |
| C27 | C28 | C29 | H15 | 179.3° | 179.9° |
| N09 | C15 | C29 | C28 | 179.9° | 180.0° |
| C15 | N09 | C08 | N07 | 179.3° | 180.0° |
| C15 | N09 | C08 | O13 | 0.7° | 0.0° |
| N09 | C15 | C25 | H13 | 0.3° | 0.0° |
| N09 | C15 | C29 | H15 | 0.2° | 0.0° |
| C29 | C15 | N09 | C08 | 95.1° | 99.7° |
| C15 | C29 | C28 | H15 | 180.0° | 179.9° |
| C15 | C29 | C28 | CL1 | 179.8° | 180.0° |
| C29 | C15 | C25 | H13 | 179.3° | 179.7° |
| N09 | C08 | N07 | C04 | 0.0° | 0.1° |
| N09 | C08 | N07 | O13 | 180.0° | 180.0° |
| N09 | C08 | N07 | C14 | 179.9° | 179.9° |
| C03 | C04 | N07 | C08 | 179.7° | 180.0° |
| C03 | C04 | N07 | C14 | 0.2° | 0.1° |
| C04 | C03 | C02 | H2 | 179.5° | 180.0° |
| C04 | N07 | C08 | C14 | 179.9° | 179.9° |
| C04 | N07 | C08 | O13 | 179.9° | 180.0° |
| N07 | C04 | C03 | H3 | 0.3° | 0.1° |
| C04 | N07 | C14 | H7 | 180.0° | 90.1° |
| C04 | N07 | C14 | H8 | 60.0° | 150.0° |
| C04 | N07 | C14 | H9 | 60.0° | 30.0° |
| C29 | C28 | C27 | H14 | 179.6° | 180.0° |
| CL1 | C28 | C27 | H14 | 0.1° | 0.1° |
| CL1 | C28 | C29 | H15 | 0.2° | 0.0° |
| C08 | N07 | C14 | H7 | 0.1° | 90.1° |
| C08 | N07 | C14 | H8 | 119.9° | 29.9° |
| C08 | N07 | C14 | H9 | 120.1° | 149.9° |
| O13 | C08 | N07 | C14 | 0.1° | 0.1° |
| N07 | C14 | H7 | H8 | 120.0° | 120.0° |
| N07 | C14 | H7 | H9 | 120.0° | 120.1° |
| N07 | C14 | H8 | H9 | 120.0° | 120.0° |
| H2 | C02 | C03 | H3 | 0.5° | 0.1° |
| H4 | C11 | H5 | H6 | 120.0° | 120.0° |
| H7 | C14 | H8 | H9 | 119.9° | 120.0° |
| H10 | C23 | H11 | H12 | 120.0° | 119.9° |
| H16 | C31 | H17 | H18 | 120.0° | 120.0° |
