R5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C22 | sing | 1.40Å | 1.33Å | |
| O17 | N16 | sing | 1.42Å | 1.41Å | |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| O15 | C14 | doub | 1.21Å | 1.24Å | |
| N16 | C14 | sing | 1.35Å | 1.33Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.51Å | 1.56Å | |
| C19 | C18 | sing | 1.48Å | 1.41Å | |
| C19 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| N13 | C18 | sing | 1.35Å | 1.37Å | |
| N13 | C12 | sing | 1.47Å | 1.50Å | |
| C18 | O20 | doub | 1.22Å | 1.22Å | |
| C12 | C03 | sing | 1.51Å | 1.40Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.33Å | |
| N07 | N08 | sing | 1.40Å | 1.19Å | Aromatic |
| N07 | C11 | sing | 1.35Å | 1.33Å | Aromatic |
| N08 | C09 | doub | 1.31Å | 1.33Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.33Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.33Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| O17 | H13 | sing | 0.97Å | 0.95Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| N26 | H16 | sing | 0.97Å | 1.00Å | |
| N26 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C22 | C21 | 119.9° | 120.0° |
| N26 | C22 | C23 | 119.7° | 120.0° |
| C22 | N26 | H16 | 109.5° | 120.0° |
| C22 | N26 | H17 | 109.5° | 120.0° |
| O17 | N16 | C14 | 116.0° | 120.0° |
| O17 | N16 | H12 | 122.0° | 120.0° |
| N16 | O17 | H13 | 109.5° | 114.1° |
| C21 | C22 | C23 | 120.4° | 120.0° |
| C22 | C21 | C19 | 120.9° | 119.8° |
| C22 | C21 | H2 | 119.6° | 120.1° |
| C22 | C23 | C24 | 119.1° | 120.2° |
| C22 | C23 | H14 | 120.4° | 119.9° |
| C21 | C19 | C18 | 122.3° | 120.1° |
| C21 | C19 | C25 | 118.0° | 119.8° |
| C19 | C21 | H2 | 119.6° | 120.1° |
| O15 | C14 | N16 | 121.5° | 120.0° |
| O15 | C14 | C12 | 125.3° | 120.0° |
| N16 | C14 | C12 | 113.1° | 120.0° |
| C14 | N16 | H12 | 122.0° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.2° |
| C23 | C24 | H3 | 120.0° | 119.9° |
| C24 | C23 | H14 | 120.4° | 119.9° |
| C14 | C12 | N13 | 117.0° | 109.5° |
| C14 | C12 | C03 | 112.8° | 109.5° |
| C14 | C12 | H10 | 104.3° | 109.5° |
| C18 | C19 | C25 | 119.6° | 120.1° |
| C19 | C18 | N13 | 120.6° | 120.0° |
| C19 | C18 | O20 | 117.9° | 120.0° |
| C19 | C25 | C24 | 121.6° | 120.0° |
| C19 | C25 | H15 | 119.3° | 120.0° |
| C18 | N13 | C12 | 118.0° | 120.0° |
| N13 | C18 | O20 | 121.6° | 120.0° |
| C18 | N13 | H11 | 121.0° | 120.0° |
| N13 | C12 | C03 | 110.7° | 109.5° |
| N13 | C12 | H10 | 104.9° | 109.5° |
| C12 | N13 | H11 | 121.0° | 120.0° |
| C12 | C03 | C04 | 119.6° | 119.9° |
| C12 | C03 | C02 | 120.9° | 119.9° |
| C03 | C12 | H10 | 106.0° | 109.5° |
| C25 | C24 | H3 | 120.0° | 119.9° |
| C24 | C25 | H15 | 119.2° | 120.0° |
| C04 | C03 | C02 | 119.5° | 120.1° |
| C03 | C04 | C05 | 120.8° | 120.1° |
| C03 | C04 | H6 | 119.6° | 119.9° |
| C03 | C02 | C01 | 120.1° | 120.0° |
| C03 | C02 | H5 | 120.0° | 120.0° |
| C04 | C05 | C06 | 119.7° | 119.9° |
| C05 | C04 | H6 | 119.6° | 120.0° |
| C04 | C05 | H7 | 120.2° | 120.0° |
| C02 | C01 | C06 | 119.8° | 119.9° |
| C02 | C01 | H4 | 120.1° | 120.1° |
| C01 | C02 | H5 | 120.0° | 120.0° |
| C05 | C06 | C01 | 120.0° | 119.9° |
| C05 | C06 | N07 | 118.9° | 120.0° |
| C06 | C05 | H7 | 120.1° | 120.1° |
| C01 | C06 | N07 | 121.1° | 120.1° |
| C06 | C01 | H4 | 120.1° | 120.0° |
| C06 | N07 | N08 | 125.1° | 126.0° |
| C06 | N07 | C11 | 124.7° | 126.1° |
| N08 | N07 | C11 | 110.2° | 107.9° |
| N07 | N08 | C09 | 110.4° | 108.2° |
| N07 | C11 | C10 | 107.0° | 107.7° |
| N07 | C11 | H9 | 126.5° | 126.1° |
| N08 | C09 | C10 | 107.0° | 108.2° |
| N08 | C09 | H8 | 126.5° | 125.8° |
| C11 | C10 | C09 | 105.4° | 107.9° |
| C11 | C10 | H1 | 127.3° | 126.0° |
| C10 | C11 | H9 | 126.5° | 126.2° |
| C09 | C10 | H1 | 127.3° | 126.1° |
| C10 | C09 | H8 | 126.5° | 125.9° |
| H16 | N26 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C22 | C21 | C23 | 179.8° | 179.9° |
| N26 | C22 | C21 | C19 | 179.0° | 180.0° |
| N26 | C22 | C23 | C24 | 179.9° | 180.0° |
| N26 | C22 | C21 | H2 | 1.0° | 0.2° |
| N26 | C22 | C23 | H14 | 0.2° | 0.1° |
| C22 | N26 | H16 | H17 | 120.0° | 180.0° |
| O17 | N16 | C14 | O15 | 2.5° | 0.0° |
| O17 | N16 | C14 | H12 | 180.0° | 180.0° |
| O17 | N16 | C14 | C12 | 180.0° | 180.0° |
| C22 | C21 | C19 | H2 | 180.0° | 179.8° |
| C21 | C22 | C23 | C24 | 0.0° | 0.1° |
| C22 | C21 | C19 | C18 | 178.7° | 179.8° |
| C22 | C21 | C19 | C25 | 2.1° | 0.2° |
| C21 | C22 | C23 | H14 | 180.0° | 180.0° |
| C21 | C22 | N26 | H16 | 180.0° | 0.0° |
| C21 | C22 | N26 | H17 | 60.0° | 180.0° |
| C23 | C22 | C21 | C19 | 1.2° | 0.1° |
| C22 | C23 | C24 | H14 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.1° | 0.2° |
| C23 | C22 | C21 | H2 | 178.8° | 179.7° |
| C22 | C23 | C24 | H3 | 179.9° | 179.7° |
| C23 | C22 | N26 | H16 | 0.2° | 179.9° |
| C23 | C22 | N26 | H17 | 120.2° | 0.1° |
| C21 | C19 | C18 | C25 | 176.5° | 180.0° |
| C21 | C19 | C18 | N13 | 75.6° | 180.0° |
| C21 | C19 | C18 | O20 | 104.6° | 0.0° |
| C21 | C19 | C25 | C24 | 2.0° | 0.5° |
| C21 | C19 | C25 | H15 | 178.0° | 180.0° |
| O15 | C14 | N16 | C12 | 177.5° | 180.0° |
| O15 | C14 | C12 | N13 | 54.2° | 0.0° |
| O15 | C14 | C12 | C03 | 75.7° | 120.0° |
| O15 | C14 | C12 | H10 | 169.6° | 120.0° |
| O15 | C14 | N16 | H12 | 177.5° | 179.9° |
| N16 | C14 | C12 | N13 | 123.2° | 180.0° |
| N16 | C14 | C12 | C03 | 106.8° | 60.0° |
| N16 | C14 | C12 | H10 | 7.8° | 60.0° |
| C14 | N16 | O17 | H13 | 1.1° | 180.0° |
| C23 | C24 | C25 | C19 | 0.9° | 0.5° |
| C23 | C24 | C25 | H3 | 180.0° | 179.5° |
| C23 | C24 | C25 | H15 | 179.1° | 180.0° |
| C14 | C12 | N13 | C18 | 128.6° | 85.0° |
| C14 | C12 | N13 | C03 | 131.0° | 120.0° |
| C14 | C12 | N13 | H10 | 115.0° | 120.0° |
| C14 | C12 | C03 | H10 | 113.6° | 120.0° |
| C14 | C12 | C03 | C04 | 47.1° | 100.0° |
| C14 | C12 | C03 | C02 | 134.5° | 80.1° |
| C14 | C12 | N13 | H11 | 51.3° | 95.0° |
| C12 | C14 | N16 | H12 | 0.0° | 0.1° |
| C19 | C18 | N13 | O20 | 179.8° | 180.0° |
| C19 | C18 | N13 | C12 | 179.0° | 180.0° |
| C18 | C19 | C25 | C24 | 178.7° | 179.5° |
| C18 | C19 | C21 | H2 | 1.2° | 0.0° |
| C19 | C18 | N13 | H11 | 1.0° | 0.0° |
| C18 | C19 | C25 | H15 | 1.3° | 0.0° |
| C25 | C19 | C18 | N13 | 107.8° | 0.0° |
| C25 | C19 | C18 | O20 | 72.0° | 180.0° |
| C19 | C25 | C24 | H15 | 180.0° | 179.5° |
| C25 | C19 | C21 | H2 | 177.8° | 180.0° |
| C19 | C25 | C24 | H3 | 179.1° | 180.0° |
| C18 | N13 | C12 | H11 | 180.0° | 180.0° |
| C18 | N13 | C12 | C03 | 100.4° | 155.0° |
| C18 | N13 | C12 | H10 | 13.6° | 35.0° |
| C12 | N13 | C18 | O20 | 0.8° | 0.0° |
| N13 | C12 | C03 | H10 | 113.3° | 120.0° |
| N13 | C12 | C03 | C04 | 179.8° | 140.0° |
| N13 | C12 | C03 | C02 | 1.3° | 39.9° |
| O20 | C18 | N13 | H11 | 179.2° | 180.0° |
| C12 | C03 | C04 | C02 | 178.5° | 179.9° |
| C12 | C03 | C04 | C05 | 179.2° | 180.0° |
| C12 | C03 | C02 | C01 | 179.0° | 180.0° |
| C12 | C03 | C02 | H5 | 1.0° | 0.1° |
| C12 | C03 | C04 | H6 | 0.8° | 0.1° |
| C03 | C12 | N13 | H11 | 79.6° | 25.0° |
| C25 | C24 | C23 | H14 | 179.9° | 179.7° |
| C03 | C04 | C05 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.6° | 0.1° |
| C03 | C04 | C05 | C06 | 0.8° | 0.0° |
| C04 | C03 | C02 | H5 | 179.4° | 180.0° |
| C03 | C04 | C05 | H7 | 179.2° | 179.9° |
| C04 | C03 | C12 | H10 | 66.5° | 20.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.1° |
| C03 | C02 | C01 | H5 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.5° | 0.1° |
| C03 | C02 | C01 | H4 | 179.5° | 179.7° |
| C02 | C03 | C04 | H6 | 179.2° | 179.9° |
| C02 | C03 | C12 | H10 | 112.0° | 159.9° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.7° | 0.0° |
| C04 | C05 | C06 | N07 | 179.6° | 179.7° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C02 | C01 | C06 | H4 | 180.0° | 179.8° |
| C02 | C01 | C06 | N07 | 179.5° | 179.7° |
| C05 | C06 | C01 | N07 | 178.9° | 179.7° |
| C05 | C06 | N07 | N08 | 0.7° | 179.7° |
| C05 | C06 | N07 | C11 | 180.0° | 0.2° |
| C05 | C06 | C01 | H4 | 179.5° | 179.7° |
| C06 | C05 | C04 | H6 | 179.2° | 180.0° |
| C01 | C06 | N07 | N08 | 178.3° | 0.0° |
| C01 | C06 | N07 | C11 | 1.1° | 179.9° |
| C06 | C01 | C02 | H5 | 179.5° | 180.0° |
| C01 | C06 | C05 | H7 | 179.3° | 180.0° |
| C06 | N07 | N08 | C11 | 179.4° | 180.0° |
| C06 | N07 | N08 | C09 | 179.4° | 180.0° |
| C06 | N07 | C11 | C10 | 179.4° | 179.9° |
| N07 | C06 | C01 | H4 | 0.6° | 0.0° |
| N07 | C06 | C05 | H7 | 0.4° | 0.3° |
| C06 | N07 | C11 | H9 | 0.6° | 0.1° |
| N08 | N07 | C11 | C10 | 0.1° | 0.2° |
| N07 | N08 | C09 | C10 | 0.0° | 0.1° |
| N07 | N08 | C09 | H8 | 180.0° | 179.8° |
| N08 | N07 | C11 | H9 | 179.9° | 180.0° |
| C11 | N07 | N08 | C09 | 0.0° | 0.0° |
| N07 | C11 | C10 | H9 | 180.0° | 179.8° |
| N07 | C11 | C10 | C09 | 0.1° | 0.2° |
| N07 | C11 | C10 | H1 | 179.9° | 180.0° |
| N08 | C09 | C10 | C11 | 0.1° | 0.2° |
| N08 | C09 | C10 | H8 | 180.0° | 179.9° |
| N08 | C09 | C10 | H1 | 179.9° | 179.9° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | H8 | 179.9° | 179.7° |
| C09 | C10 | C11 | H9 | 179.9° | 180.0° |
| H1 | C10 | C09 | H8 | 0.1° | 0.0° |
| H1 | C10 | C11 | H9 | 0.1° | 0.2° |
| H3 | C24 | C23 | H14 | 0.2° | 0.1° |
| H3 | C24 | C25 | H15 | 0.9° | 0.5° |
| H4 | C01 | C02 | H5 | 0.4° | 0.2° |
| H6 | C04 | C05 | H7 | 0.8° | 0.0° |
| H10 | C12 | N13 | H11 | 166.4° | 145.0° |
| H12 | N16 | O17 | H13 | 178.9° | 0.0° |
