OS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C20 | sing | 1.51Å | 1.51Å | |
| O19 | C20 | sing | 1.43Å | 1.44Å | |
| O19 | C14 | sing | 1.36Å | 1.39Å | |
| C17 | C15 | sing | 1.51Å | 1.52Å | |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C08 | sing | 1.48Å | 1.48Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| N01 | C10 | doub | 1.34Å | 1.35Å | Aromatic |
| N01 | C02 | sing | 1.32Å | 1.35Å | Aromatic |
| N02 | C02 | sing | 1.39Å | 1.36Å | |
| C10 | C05 | sing | 1.42Å | 1.39Å | Aromatic |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.40Å | Aromatic |
| C04 | C4A | sing | 1.51Å | 1.50Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C4A | H16 | sing | 1.09Å | 1.10Å | |
| C4A | H17 | sing | 1.09Å | 1.10Å | |
| C4A | H18 | sing | 1.09Å | 1.10Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| N18 | H21 | sing | 1.01Å | 1.00Å | |
| N18 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 120.1° | 119.2° |
| C25 | C26 | N21 | 119.3° | 120.7° |
| C26 | C25 | H14 | 120.0° | 120.4° |
| C25 | C26 | H15 | 120.3° | 119.7° |
| C25 | C24 | C23 | 119.6° | 118.4° |
| C25 | C24 | H13 | 120.2° | 120.8° |
| C24 | C25 | H14 | 120.0° | 120.4° |
| C26 | N21 | C22 | 121.7° | 121.7° |
| N21 | C26 | H15 | 120.3° | 119.6° |
| C24 | C23 | C22 | 118.6° | 119.2° |
| C24 | C23 | H7 | 120.7° | 120.4° |
| C23 | C24 | H13 | 120.2° | 120.8° |
| N21 | C22 | C23 | 120.7° | 120.8° |
| N21 | C22 | C20 | 120.9° | 119.6° |
| C23 | C22 | C20 | 118.3° | 119.6° |
| C22 | C23 | H7 | 120.7° | 120.4° |
| C22 | C20 | O19 | 110.1° | 109.5° |
| C22 | C20 | H5 | 109.3° | 109.5° |
| C22 | C20 | H6 | 109.3° | 109.4° |
| C20 | O19 | C14 | 127.5° | 117.0° |
| O19 | C20 | H5 | 109.3° | 109.5° |
| O19 | C20 | H6 | 109.3° | 109.5° |
| O19 | C14 | C15 | 125.2° | 119.9° |
| O19 | C14 | C13 | 117.0° | 119.9° |
| C15 | C17 | N18 | 110.0° | 109.5° |
| C17 | C15 | C14 | 124.1° | 120.0° |
| C17 | C15 | C16 | 116.5° | 120.0° |
| C15 | C17 | H3 | 109.3° | 109.5° |
| C15 | C17 | H4 | 109.3° | 109.5° |
| N18 | C17 | H3 | 109.4° | 109.5° |
| N18 | C17 | H4 | 109.4° | 109.5° |
| C17 | N18 | H21 | 109.5° | 111.0° |
| C17 | N18 | H22 | 109.5° | 111.0° |
| C15 | C14 | C13 | 117.7° | 120.1° |
| C14 | C15 | C16 | 119.4° | 120.0° |
| C14 | C13 | C12 | 122.1° | 120.1° |
| C14 | C13 | H1 | 118.9° | 120.0° |
| C15 | C16 | C11 | 122.3° | 120.0° |
| C15 | C16 | H2 | 118.9° | 120.0° |
| C13 | C12 | C11 | 119.9° | 119.9° |
| C12 | C13 | H1 | 118.9° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| C16 | C11 | C12 | 118.5° | 119.9° |
| C16 | C11 | C08 | 116.9° | 120.1° |
| C11 | C16 | H2 | 118.9° | 120.0° |
| C12 | C11 | C08 | 124.4° | 120.1° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C11 | C08 | C09 | 119.3° | 119.7° |
| C11 | C08 | C07 | 120.9° | 119.7° |
| C08 | C09 | C10 | 120.2° | 119.6° |
| C09 | C08 | C07 | 119.8° | 120.6° |
| C08 | C09 | H11 | 119.9° | 120.2° |
| C09 | C10 | N01 | 119.1° | 120.8° |
| C09 | C10 | C05 | 120.0° | 119.2° |
| C10 | C09 | H11 | 119.9° | 120.2° |
| C08 | C07 | C06 | 120.2° | 120.8° |
| C08 | C07 | H10 | 119.9° | 119.6° |
| C10 | N01 | C02 | 120.9° | 121.2° |
| N01 | C10 | C05 | 121.0° | 119.9° |
| N01 | C02 | N02 | 118.0° | 119.2° |
| N01 | C02 | C03 | 120.2° | 121.5° |
| N02 | C02 | C03 | 121.9° | 119.3° |
| C02 | N02 | H19 | 109.5° | 120.0° |
| C02 | N02 | H20 | 109.5° | 120.0° |
| C10 | C05 | C06 | 120.1° | 119.9° |
| C10 | C05 | C04 | 119.6° | 119.1° |
| C02 | C03 | C04 | 119.3° | 119.9° |
| C02 | C03 | H8 | 120.3° | 120.0° |
| C07 | C06 | C05 | 119.8° | 119.9° |
| C07 | C06 | H9 | 120.1° | 120.0° |
| C06 | C07 | H10 | 119.9° | 119.7° |
| C06 | C05 | C04 | 120.3° | 121.0° |
| C05 | C06 | H9 | 120.1° | 120.1° |
| C05 | C04 | C03 | 119.0° | 118.3° |
| C05 | C04 | C4A | 118.9° | 120.8° |
| C03 | C04 | C4A | 122.1° | 120.9° |
| C04 | C03 | H8 | 120.4° | 120.1° |
| C04 | C4A | H16 | 109.5° | 109.5° |
| C04 | C4A | H17 | 109.4° | 109.5° |
| C04 | C4A | H18 | 109.5° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H16 | C4A | H17 | 109.5° | 109.5° |
| H16 | C4A | H18 | 109.5° | 109.5° |
| H17 | C4A | H18 | 109.5° | 109.5° |
| H19 | N02 | H20 | 109.4° | 120.0° |
| H21 | N18 | H22 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H14 | 180.0° | 179.7° |
| C25 | C26 | N21 | H15 | 180.0° | 179.8° |
| C26 | C25 | C24 | C23 | 0.6° | 0.0° |
| C25 | C26 | N21 | C22 | 0.4° | 0.5° |
| C26 | C25 | C24 | H13 | 179.3° | 180.0° |
| C24 | C25 | C26 | N21 | 0.9° | 0.3° |
| C25 | C24 | C23 | H13 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C25 | C24 | C23 | H7 | 179.9° | 180.0° |
| C24 | C25 | C26 | H15 | 179.1° | 180.0° |
| C26 | N21 | C22 | C23 | 0.4° | 0.5° |
| C26 | N21 | C22 | C20 | 179.6° | 179.8° |
| N21 | C26 | C25 | H14 | 179.1° | 179.9° |
| C24 | C23 | C22 | N21 | 0.6° | 0.2° |
| C24 | C23 | C22 | H7 | 180.0° | 180.0° |
| C24 | C23 | C22 | C20 | 179.4° | 180.0° |
| C23 | C24 | C25 | H14 | 179.4° | 179.7° |
| N21 | C22 | C23 | C20 | 180.0° | 179.8° |
| N21 | C22 | C20 | O19 | 153.8° | 179.7° |
| N21 | C22 | C20 | H5 | 33.7° | 60.2° |
| N21 | C22 | C20 | H6 | 86.1° | 59.8° |
| N21 | C22 | C23 | H7 | 179.3° | 179.8° |
| C22 | N21 | C26 | H15 | 179.6° | 179.7° |
| C23 | C22 | C20 | O19 | 26.2° | 0.0° |
| C23 | C22 | C20 | H5 | 146.3° | 120.0° |
| C23 | C22 | C20 | H6 | 93.9° | 120.0° |
| C22 | C23 | C24 | H13 | 179.9° | 180.0° |
| C22 | C20 | O19 | H5 | 120.1° | 120.0° |
| C22 | C20 | O19 | H6 | 120.1° | 120.0° |
| C22 | C20 | O19 | C14 | 164.1° | 180.0° |
| C22 | C20 | H5 | H6 | 119.7° | 120.0° |
| C20 | C22 | C23 | H7 | 0.6° | 0.0° |
| C20 | O19 | C14 | C15 | 50.5° | 180.0° |
| C20 | O19 | C14 | C13 | 131.5° | 0.2° |
| O19 | C20 | H5 | H6 | 119.7° | 120.0° |
| O19 | C14 | C15 | C17 | 2.3° | 0.3° |
| O19 | C14 | C15 | C13 | 178.0° | 179.8° |
| O19 | C14 | C15 | C16 | 179.1° | 180.0° |
| O19 | C14 | C13 | C12 | 179.2° | 180.0° |
| O19 | C14 | C13 | H1 | 0.8° | 0.1° |
| C14 | O19 | C20 | H5 | 75.8° | 60.0° |
| C14 | O19 | C20 | H6 | 44.0° | 60.0° |
| C15 | C17 | N18 | H3 | 120.0° | 120.0° |
| C15 | C17 | N18 | H4 | 120.0° | 120.0° |
| C17 | C15 | C14 | C16 | 178.6° | 179.7° |
| C17 | C15 | C14 | C13 | 179.8° | 180.0° |
| C17 | C15 | C16 | C11 | 179.1° | 179.7° |
| C17 | C15 | C16 | H2 | 0.9° | 0.3° |
| C15 | C17 | H3 | H4 | 119.8° | 120.0° |
| C15 | C17 | N18 | H21 | 180.0° | 56.0° |
| C15 | C17 | N18 | H22 | 60.0° | 180.0° |
| N18 | C17 | C15 | C14 | 122.1° | 80.0° |
| N18 | C17 | C15 | C16 | 56.6° | 100.3° |
| N18 | C17 | H3 | H4 | 119.8° | 120.0° |
| C17 | N18 | H21 | H22 | 120.0° | 123.9° |
| C15 | C14 | C13 | C12 | 1.1° | 0.3° |
| C14 | C15 | C16 | C11 | 2.2° | 0.0° |
| C15 | C14 | C13 | H1 | 178.9° | 179.7° |
| C14 | C15 | C16 | H2 | 177.8° | 180.0° |
| C14 | C15 | C17 | H3 | 117.9° | 160.0° |
| C14 | C15 | C17 | H4 | 2.0° | 40.0° |
| C13 | C14 | C15 | C16 | 1.1° | 0.3° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 2.0° | 0.0° |
| C14 | C13 | C12 | H12 | 178.0° | 180.0° |
| C15 | C16 | C11 | H2 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 3.1° | 0.2° |
| C15 | C16 | C11 | C08 | 179.0° | 180.0° |
| C16 | C15 | C17 | H3 | 63.5° | 19.7° |
| C16 | C15 | C17 | H4 | 176.6° | 139.7° |
| C13 | C12 | C11 | C16 | 2.9° | 0.3° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C08 | 178.5° | 180.0° |
| C16 | C11 | C12 | C08 | 175.6° | 179.8° |
| C16 | C11 | C08 | C09 | 42.0° | 179.9° |
| C16 | C11 | C08 | C07 | 135.5° | 0.1° |
| C16 | C11 | C12 | H12 | 177.1° | 179.8° |
| C12 | C11 | C08 | C09 | 142.3° | 0.2° |
| C12 | C11 | C08 | C07 | 40.2° | 179.7° |
| C11 | C12 | C13 | H1 | 178.0° | 180.0° |
| C12 | C11 | C16 | H2 | 176.9° | 179.7° |
| C11 | C08 | C09 | C07 | 177.5° | 179.9° |
| C11 | C08 | C09 | C10 | 177.7° | 180.0° |
| C11 | C08 | C07 | C06 | 176.5° | 179.9° |
| C08 | C11 | C16 | H2 | 1.0° | 0.1° |
| C11 | C08 | C07 | H10 | 3.5° | 0.0° |
| C11 | C08 | C09 | H11 | 2.3° | 0.1° |
| C08 | C11 | C12 | H12 | 1.5° | 0.0° |
| C08 | C09 | C10 | H11 | 180.0° | 179.9° |
| C08 | C09 | C10 | N01 | 179.4° | 179.6° |
| C08 | C09 | C10 | C05 | 0.7° | 0.1° |
| C09 | C08 | C07 | C06 | 1.0° | 0.1° |
| C09 | C08 | C07 | H10 | 179.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.2° | 0.1° |
| C09 | C10 | N01 | C05 | 179.8° | 179.7° |
| C09 | C10 | N01 | C02 | 179.8° | 179.8° |
| C09 | C10 | C05 | C06 | 0.1° | 0.0° |
| C09 | C10 | C05 | C04 | 179.2° | 180.0° |
| C08 | C07 | C06 | H10 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 1.6° | 0.0° |
| C08 | C07 | C06 | H9 | 178.4° | 180.0° |
| C07 | C08 | C09 | H11 | 179.8° | 180.0° |
| C10 | N01 | C02 | N02 | 179.4° | 179.7° |
| C10 | N01 | C02 | C03 | 0.3° | 0.1° |
| N01 | C10 | C05 | C06 | 180.0° | 179.7° |
| N01 | C10 | C05 | C04 | 0.7° | 0.3° |
| N01 | C10 | C09 | H11 | 0.6° | 0.3° |
| N01 | C02 | N02 | C03 | 179.7° | 179.6° |
| C02 | N01 | C10 | C05 | 0.0° | 0.1° |
| N01 | C02 | C03 | C04 | 0.1° | 0.4° |
| N01 | C02 | C03 | H8 | 179.9° | 180.0° |
| N01 | C02 | N02 | H19 | 0.0° | 179.7° |
| N01 | C02 | N02 | H20 | 120.0° | 0.4° |
| N02 | C02 | C03 | C04 | 179.8° | 180.0° |
| N02 | C02 | C03 | H8 | 0.2° | 0.4° |
| C02 | N02 | H19 | H20 | 120.0° | 179.9° |
| C10 | C05 | C06 | C07 | 1.1° | 0.0° |
| C10 | C05 | C06 | C04 | 179.3° | 180.0° |
| C10 | C05 | C04 | C03 | 1.0° | 0.6° |
| C10 | C05 | C04 | C4A | 179.7° | 180.0° |
| C10 | C05 | C06 | H9 | 178.9° | 180.0° |
| C05 | C10 | C09 | H11 | 179.2° | 180.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.6° |
| C02 | C03 | C04 | H8 | 180.0° | 179.6° |
| C02 | C03 | C04 | C4A | 180.0° | 180.0° |
| C03 | C02 | N02 | H19 | 179.7° | 0.1° |
| C03 | C02 | N02 | H20 | 60.3° | 180.0° |
| C07 | C06 | C05 | H9 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 179.6° | 180.0° |
| C06 | C05 | C04 | C03 | 179.7° | 179.4° |
| C06 | C05 | C04 | C4A | 0.4° | 0.0° |
| C05 | C06 | C07 | H10 | 178.4° | 180.0° |
| C05 | C04 | C03 | C4A | 179.3° | 179.4° |
| C05 | C04 | C03 | H8 | 179.3° | 179.8° |
| C04 | C05 | C06 | H9 | 0.4° | 0.0° |
| C05 | C04 | C4A | H16 | 89.7° | 89.4° |
| C05 | C04 | C4A | H17 | 150.3° | 30.6° |
| C05 | C04 | C4A | H18 | 30.3° | 150.6° |
| C03 | C04 | C4A | H16 | 89.6° | 89.9° |
| C03 | C04 | C4A | H17 | 30.4° | 150.0° |
| C03 | C04 | C4A | H18 | 150.4° | 30.0° |
| C4A | C04 | C03 | H8 | 0.0° | 0.4° |
| C04 | C4A | H16 | H17 | 120.0° | 120.0° |
| C04 | C4A | H16 | H18 | 120.0° | 119.9° |
| C04 | C4A | H17 | H18 | 120.0° | 119.9° |
| H1 | C13 | C12 | H12 | 2.0° | 0.1° |
| H3 | C17 | N18 | H21 | 60.0° | 64.0° |
| H3 | C17 | N18 | H22 | 180.0° | 60.0° |
| H4 | C17 | N18 | H21 | 60.0° | 176.0° |
| H4 | C17 | N18 | H22 | 60.1° | 60.0° |
| H7 | C23 | C24 | H13 | 0.1° | 0.0° |
| H9 | C06 | C07 | H10 | 1.6° | 0.0° |
| H13 | C24 | C25 | H14 | 0.7° | 0.3° |
| H14 | C25 | C26 | H15 | 0.9° | 0.3° |
| H16 | C4A | H17 | H18 | 120.0° | 120.1° |
