6RY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | N03 | sing | 1.46Å | 1.45Å | |
| C02 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.47Å | Aromatic |
| N03 | C04 | sing | 1.40Å | 1.43Å | |
| C11 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C04 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| O18 | C13 | sing | 1.36Å | 1.45Å | |
| O18 | C17 | sing | 1.43Å | 1.43Å | |
| C04 | C05 | sing | 1.39Å | 1.43Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C05 | N07 | doub | 1.32Å | 1.30Å | Aromatic |
| C08 | N07 | sing | 1.32Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.44Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.42Å | |
| C16 | O15 | sing | 1.43Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| N03 | H5 | sing | 0.97Å | 1.00Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 110.8° | 109.5° |
| C01 | C02 | C11 | 110.7° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 109.1° | 109.4° |
| N03 | C02 | C11 | 107.5° | 109.5° |
| C02 | N03 | C04 | 120.9° | 120.0° |
| N03 | C02 | H4 | 109.7° | 109.5° |
| C02 | N03 | H5 | 106.5° | 120.0° |
| C02 | C11 | C12 | 121.5° | 119.9° |
| C02 | C11 | C20 | 118.2° | 120.0° |
| C11 | C02 | H4 | 109.1° | 109.5° |
| C11 | C12 | C13 | 119.5° | 120.1° |
| C12 | C11 | C20 | 120.3° | 120.1° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| C12 | C13 | O18 | 118.7° | 119.4° |
| C12 | C13 | C14 | 119.9° | 119.8° |
| C13 | C12 | H12 | 120.3° | 119.9° |
| N03 | C04 | C10 | 120.6° | 120.5° |
| N03 | C04 | C05 | 122.0° | 120.5° |
| C04 | N03 | H5 | 106.6° | 120.0° |
| C11 | C20 | C19 | 120.0° | 120.1° |
| C11 | C20 | H18 | 120.0° | 120.0° |
| C04 | C10 | C09 | 118.5° | 118.4° |
| C10 | C04 | C05 | 117.4° | 119.0° |
| C04 | C10 | H11 | 120.8° | 120.9° |
| C10 | C09 | C08 | 118.9° | 119.2° |
| C10 | C09 | H10 | 120.5° | 120.4° |
| C09 | C10 | H11 | 120.7° | 120.8° |
| C13 | O18 | C17 | 113.7° | 116.7° |
| O18 | C13 | C14 | 121.3° | 120.8° |
| O18 | C17 | C16 | 113.2° | 108.3° |
| O18 | C17 | H15 | 108.5° | 109.7° |
| O18 | C17 | H16 | 108.5° | 109.7° |
| C04 | C05 | C06 | 120.3° | 119.6° |
| C04 | C05 | N07 | 122.5° | 120.7° |
| C09 | C08 | N07 | 122.1° | 120.9° |
| C09 | C08 | H9 | 119.0° | 119.6° |
| C08 | C09 | H10 | 120.6° | 120.3° |
| C13 | C14 | C19 | 120.6° | 119.8° |
| C13 | C14 | O15 | 123.9° | 120.8° |
| C06 | C05 | N07 | 117.2° | 119.7° |
| C05 | C06 | H6 | 109.5° | 109.5° |
| C05 | C06 | H7 | 109.5° | 109.5° |
| C05 | C06 | H8 | 109.5° | 109.5° |
| C05 | N07 | C08 | 120.6° | 121.8° |
| N07 | C08 | H9 | 118.9° | 119.5° |
| C17 | C16 | O15 | 113.2° | 108.3° |
| C17 | C16 | H13 | 108.5° | 109.7° |
| C17 | C16 | H14 | 108.5° | 109.8° |
| C16 | C17 | H15 | 108.6° | 109.7° |
| C16 | C17 | H16 | 108.5° | 109.7° |
| C20 | C19 | C14 | 119.7° | 120.1° |
| C20 | C19 | H17 | 120.2° | 120.0° |
| C19 | C20 | H18 | 120.0° | 119.9° |
| C19 | C14 | O15 | 115.5° | 119.4° |
| C14 | C19 | H17 | 120.2° | 119.9° |
| C14 | O15 | C16 | 113.6° | 116.7° |
| O15 | C16 | H13 | 108.5° | 109.7° |
| O15 | C16 | H14 | 108.5° | 109.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.4° |
| H6 | C06 | H8 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.7° |
| H15 | C17 | H16 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | C11 | 121.0° | 120.0° |
| C01 | C02 | N03 | H4 | 120.5° | 120.0° |
| C01 | C02 | C11 | H4 | 120.0° | 120.0° |
| C01 | C02 | C11 | C12 | 93.8° | 99.7° |
| C01 | C02 | N03 | C04 | 157.5° | 85.0° |
| C01 | C02 | C11 | C20 | 87.7° | 80.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | N03 | H5 | 80.9° | 95.1° |
| N03 | C02 | C11 | H4 | 118.9° | 120.1° |
| N03 | C02 | C11 | C12 | 145.1° | 140.3° |
| C02 | N03 | C04 | H5 | 121.6° | 179.9° |
| N03 | C02 | C11 | C20 | 33.5° | 40.0° |
| C02 | N03 | C04 | C10 | 15.2° | 0.3° |
| C02 | N03 | C04 | C05 | 164.6° | 180.0° |
| N03 | C02 | C01 | H1 | 180.0° | 180.0° |
| N03 | C02 | C01 | H2 | 60.0° | 60.0° |
| N03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C11 | C12 | C20 | 178.5° | 179.7° |
| C02 | C11 | C12 | C13 | 179.3° | 179.9° |
| C11 | C02 | N03 | C04 | 81.4° | 155.0° |
| C02 | C11 | C20 | C19 | 179.3° | 179.7° |
| C11 | C02 | C01 | H1 | 60.9° | 60.1° |
| C11 | C02 | C01 | H2 | 179.1° | 180.0° |
| C11 | C02 | C01 | H3 | 59.2° | 60.0° |
| C11 | C02 | N03 | H5 | 40.2° | 24.9° |
| C02 | C11 | C12 | H12 | 0.8° | 0.0° |
| C02 | C11 | C20 | H18 | 0.7° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | O18 | 179.6° | 179.6° |
| C11 | C12 | C13 | C14 | 0.3° | 0.2° |
| C12 | C11 | C20 | C19 | 0.7° | 0.5° |
| C12 | C11 | C02 | H4 | 26.2° | 20.3° |
| C12 | C11 | C20 | H18 | 179.3° | 179.8° |
| C13 | C12 | C11 | C20 | 0.7° | 0.4° |
| C12 | C13 | O18 | C14 | 179.9° | 179.9° |
| C12 | C13 | O18 | C17 | 167.6° | 162.9° |
| C12 | C13 | C14 | C19 | 0.1° | 0.2° |
| C12 | C13 | C14 | O15 | 180.0° | 179.6° |
| N03 | C04 | C10 | C05 | 179.7° | 179.7° |
| N03 | C04 | C10 | C09 | 179.7° | 179.8° |
| N03 | C04 | C05 | C06 | 0.5° | 0.1° |
| N03 | C04 | C05 | N07 | 180.0° | 180.0° |
| C04 | N03 | C02 | H4 | 37.0° | 34.9° |
| N03 | C04 | C10 | H11 | 0.3° | 0.0° |
| C11 | C20 | C19 | H18 | 180.0° | 179.7° |
| C11 | C20 | C19 | C14 | 0.3° | 0.6° |
| C20 | C11 | C02 | H4 | 152.3° | 160.0° |
| C20 | C11 | C12 | H12 | 179.3° | 179.7° |
| C11 | C20 | C19 | H17 | 179.7° | 179.7° |
| C04 | C10 | C09 | H11 | 180.0° | 179.8° |
| C04 | C10 | C09 | C08 | 0.1° | 0.6° |
| C10 | C04 | C05 | C06 | 179.8° | 179.8° |
| C10 | C04 | C05 | N07 | 0.3° | 0.3° |
| C10 | C04 | N03 | H5 | 106.4° | 179.8° |
| C04 | C10 | C09 | H10 | 179.9° | 179.8° |
| C09 | C10 | C04 | C05 | 0.0° | 0.5° |
| C10 | C09 | C08 | H10 | 180.0° | 179.6° |
| C10 | C09 | C08 | N07 | 0.2° | 0.4° |
| C10 | C09 | C08 | H9 | 179.8° | 179.7° |
| C13 | O18 | C17 | C16 | 37.8° | 46.1° |
| O18 | C13 | C14 | C19 | 180.0° | 179.6° |
| O18 | C13 | C14 | O15 | 0.0° | 0.5° |
| O18 | C13 | C12 | H12 | 0.4° | 0.3° |
| C13 | O18 | C17 | H15 | 82.7° | 73.6° |
| C13 | O18 | C17 | H16 | 158.4° | 165.9° |
| C17 | O18 | C13 | C14 | 12.5° | 17.2° |
| O18 | C17 | C16 | H15 | 120.5° | 119.7° |
| O18 | C17 | C16 | H16 | 120.6° | 119.8° |
| O18 | C17 | C16 | O15 | 54.7° | 59.7° |
| O18 | C17 | C16 | H13 | 175.2° | 179.3° |
| O18 | C17 | C16 | H14 | 65.9° | 60.0° |
| O18 | C17 | H15 | H16 | 118.3° | 120.6° |
| C04 | C05 | C06 | N07 | 179.5° | 180.0° |
| C04 | C05 | N07 | C08 | 0.6° | 0.1° |
| C05 | C04 | N03 | H5 | 73.8° | 0.1° |
| C04 | C05 | C06 | H6 | 179.5° | 90.0° |
| C04 | C05 | C06 | H7 | 59.5° | 150.0° |
| C04 | C05 | C06 | H8 | 60.5° | 30.0° |
| C05 | C04 | C10 | H11 | 180.0° | 179.7° |
| C09 | C08 | N07 | C05 | 0.5° | 0.1° |
| C09 | C08 | N07 | H9 | 180.0° | 179.9° |
| C08 | C09 | C10 | H11 | 179.9° | 179.7° |
| C13 | C14 | C19 | C20 | 0.1° | 0.4° |
| C13 | C14 | C19 | O15 | 179.9° | 179.9° |
| C13 | C14 | O15 | C16 | 15.8° | 17.4° |
| C14 | C13 | C12 | H12 | 179.7° | 179.9° |
| C13 | C14 | C19 | H17 | 179.9° | 179.9° |
| C06 | C05 | N07 | C08 | 179.9° | 180.0° |
| C05 | C06 | H6 | H7 | 120.0° | 120.0° |
| C05 | C06 | H6 | H8 | 120.0° | 120.1° |
| C05 | C06 | H7 | H8 | 120.0° | 120.1° |
| N07 | C05 | C06 | H6 | 0.0° | 90.0° |
| N07 | C05 | C06 | H7 | 120.0° | 30.0° |
| N07 | C05 | C06 | H8 | 120.0° | 150.0° |
| C05 | N07 | C08 | H9 | 179.5° | 180.0° |
| N07 | C08 | C09 | H10 | 179.8° | 180.0° |
| C17 | C16 | O15 | C14 | 41.3° | 46.3° |
| C17 | C16 | O15 | H13 | 120.5° | 119.7° |
| C17 | C16 | O15 | H14 | 120.5° | 119.8° |
| C17 | C16 | H13 | H14 | 118.3° | 120.7° |
| C16 | C17 | H15 | H16 | 118.3° | 120.6° |
| C20 | C19 | C14 | H17 | 180.0° | 179.7° |
| C20 | C19 | C14 | O15 | 180.0° | 179.5° |
| C19 | C14 | O15 | C16 | 164.2° | 162.7° |
| C14 | C19 | C20 | H18 | 179.7° | 179.8° |
| C14 | O15 | C16 | H13 | 161.8° | 166.0° |
| C14 | O15 | C16 | H14 | 79.3° | 73.5° |
| O15 | C14 | C19 | H17 | 0.0° | 0.2° |
| O15 | C16 | H13 | H14 | 118.3° | 120.5° |
| O15 | C16 | C17 | H15 | 65.9° | 60.0° |
| O15 | C16 | C17 | H16 | 175.2° | 179.5° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 59.1° | 60.0° |
| H2 | C01 | C02 | H4 | 60.9° | 60.0° |
| H3 | C01 | C02 | H4 | 179.1° | 179.9° |
| H4 | C02 | N03 | H5 | 158.6° | 145.0° |
| H6 | C06 | H7 | H8 | 120.0° | 119.9° |
| H9 | C08 | C09 | H10 | 0.2° | 0.1° |
| H10 | C09 | C10 | H11 | 0.1° | 0.1° |
| H13 | C16 | C17 | H15 | 54.7° | 59.7° |
| H13 | C16 | C17 | H16 | 64.2° | 60.9° |
| H14 | C16 | C17 | H15 | 173.6° | 179.7° |
| H14 | C16 | C17 | H16 | 54.7° | 59.7° |
| H17 | C19 | C20 | H18 | 0.3° | 0.1° |
