6E7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N15 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| N15 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C16 | sing | 1.48Å | 1.48Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | N18 | sing | 1.35Å | 1.31Å | |
| N18 | C19 | sing | 1.46Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.50Å | |
| N07 | C08 | doub | 1.33Å | 1.36Å | Aromatic |
| N07 | C06 | sing | 1.32Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C04 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.52Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.35Å | 1.24Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| O03 | H7 | sing | 0.97Å | 0.95Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N18 | H13 | sing | 0.97Å | 1.00Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | N15 | 123.9° | 121.1° |
| C14 | C13 | C12 | 118.6° | 119.1° |
| C14 | C13 | H1 | 120.7° | 120.4° |
| C13 | C14 | H12 | 118.0° | 119.4° |
| C14 | N15 | C10 | 118.0° | 122.0° |
| N15 | C14 | H12 | 118.0° | 119.5° |
| C13 | C12 | C16 | 120.8° | 120.8° |
| C13 | C12 | C11 | 117.2° | 118.3° |
| C12 | C13 | H1 | 120.7° | 120.4° |
| O17 | C16 | C12 | 120.8° | 120.0° |
| O17 | C16 | N18 | 121.4° | 120.0° |
| N15 | C10 | C11 | 121.5° | 120.7° |
| N15 | C10 | C08 | 115.8° | 119.7° |
| C16 | C12 | C11 | 122.0° | 120.9° |
| C12 | C16 | N18 | 117.8° | 120.1° |
| C12 | C11 | C10 | 120.6° | 118.9° |
| C12 | C11 | H11 | 119.7° | 120.6° |
| C16 | N18 | C19 | 121.6° | 120.0° |
| C16 | N18 | H13 | 119.2° | 119.9° |
| N18 | C19 | C20 | 111.8° | 109.5° |
| C19 | N18 | H13 | 119.2° | 120.0° |
| N18 | C19 | H14 | 108.9° | 109.5° |
| N18 | C19 | H15 | 108.9° | 109.5° |
| C19 | C20 | C21 | 113.7° | 109.4° |
| C19 | C20 | H2 | 108.4° | 109.5° |
| C19 | C20 | H3 | 108.4° | 109.5° |
| C20 | C19 | H14 | 108.9° | 109.4° |
| C20 | C19 | H15 | 108.9° | 109.5° |
| C11 | C10 | C08 | 122.7° | 119.7° |
| C10 | C11 | H11 | 119.6° | 120.5° |
| C10 | C08 | N07 | 114.7° | 119.7° |
| C10 | C08 | C09 | 122.5° | 119.7° |
| C08 | N07 | C06 | 117.1° | 122.0° |
| N07 | C08 | C09 | 122.7° | 120.7° |
| N07 | C06 | C05 | 124.7° | 121.0° |
| N07 | C06 | H9 | 117.7° | 119.4° |
| C20 | C21 | C26 | 123.2° | 120.0° |
| C20 | C21 | C22 | 120.9° | 120.0° |
| C21 | C20 | H2 | 108.4° | 109.4° |
| C21 | C20 | H3 | 108.4° | 109.5° |
| C08 | C09 | C04 | 118.2° | 118.9° |
| C08 | C09 | H10 | 120.9° | 120.5° |
| C06 | C05 | C04 | 118.1° | 119.2° |
| C06 | C05 | H8 | 121.0° | 120.4° |
| C05 | C06 | H9 | 117.6° | 119.5° |
| C26 | C21 | C22 | 115.8° | 120.0° |
| C21 | C26 | C25 | 122.4° | 120.0° |
| C21 | C26 | H6 | 118.8° | 120.0° |
| C21 | C22 | C23 | 122.9° | 120.0° |
| C21 | C22 | H4 | 118.5° | 120.0° |
| C09 | C04 | C05 | 119.3° | 118.2° |
| C09 | C04 | C02 | 121.2° | 120.9° |
| C04 | C09 | H10 | 120.9° | 120.5° |
| C26 | C25 | C24 | 120.1° | 120.0° |
| C25 | C26 | H6 | 118.8° | 120.0° |
| C26 | C25 | H17 | 120.0° | 120.0° |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C23 | C22 | H4 | 118.5° | 120.0° |
| C22 | C23 | H16 | 119.7° | 120.0° |
| C05 | C04 | C02 | 119.5° | 120.9° |
| C04 | C05 | H8 | 121.0° | 120.4° |
| C04 | C02 | O01 | 117.6° | 120.0° |
| C04 | C02 | O03 | 118.0° | 120.0° |
| C25 | C24 | C23 | 118.1° | 120.0° |
| C25 | C24 | H5 | 120.9° | 120.0° |
| C24 | C25 | H17 | 120.0° | 120.0° |
| C23 | C24 | H5 | 120.9° | 120.0° |
| C24 | C23 | H16 | 119.7° | 120.0° |
| O01 | C02 | O03 | 124.4° | 120.0° |
| C02 | O03 | H7 | 109.5° | 117.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | N15 | H12 | 180.0° | 179.3° |
| C14 | C13 | C12 | H1 | 180.0° | 179.4° |
| C13 | C14 | N15 | C10 | 2.2° | 0.5° |
| C14 | C13 | C12 | C16 | 179.4° | 179.5° |
| C14 | C13 | C12 | C11 | 0.4° | 0.6° |
| N15 | C14 | C13 | C12 | 1.3° | 0.8° |
| C14 | N15 | C10 | C11 | 2.2° | 0.0° |
| C14 | N15 | C10 | C08 | 179.7° | 179.7° |
| N15 | C14 | C13 | H1 | 178.7° | 179.7° |
| C13 | C12 | C16 | O17 | 52.1° | 180.0° |
| C13 | C12 | C16 | C11 | 178.9° | 180.0° |
| C13 | C12 | C16 | N18 | 127.1° | 0.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | H11 | 179.5° | 180.0° |
| C12 | C13 | C14 | H12 | 178.7° | 179.9° |
| O17 | C16 | C12 | N18 | 179.2° | 180.0° |
| O17 | C16 | C12 | C11 | 126.8° | 0.0° |
| O17 | C16 | N18 | C19 | 2.0° | 0.0° |
| O17 | C16 | N18 | H13 | 177.9° | 180.0° |
| N15 | C10 | C11 | C12 | 1.5° | 0.2° |
| N15 | C10 | C11 | C08 | 178.0° | 179.7° |
| N15 | C10 | C08 | N07 | 12.8° | 179.8° |
| N15 | C10 | C08 | C09 | 164.0° | 0.0° |
| N15 | C10 | C11 | H11 | 178.5° | 179.7° |
| C10 | N15 | C14 | H12 | 177.8° | 179.8° |
| C12 | C16 | N18 | C19 | 178.8° | 180.0° |
| C16 | C12 | C11 | C10 | 179.5° | 180.0° |
| C16 | C12 | C13 | H1 | 0.6° | 0.0° |
| C16 | C12 | C11 | H11 | 0.5° | 0.0° |
| C12 | C16 | N18 | H13 | 1.2° | 0.0° |
| C11 | C12 | C16 | N18 | 54.0° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C08 | 179.4° | 180.0° |
| C11 | C12 | C13 | H1 | 179.6° | 180.0° |
| C16 | N18 | C19 | H13 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 98.7° | 180.0° |
| C16 | N18 | C19 | H14 | 21.6° | 60.0° |
| C16 | N18 | C19 | H15 | 140.9° | 60.0° |
| N18 | C19 | C20 | H14 | 120.4° | 120.0° |
| N18 | C19 | C20 | H15 | 120.3° | 120.0° |
| N18 | C19 | C20 | C21 | 47.7° | 180.0° |
| N18 | C19 | C20 | H2 | 73.0° | 60.1° |
| N18 | C19 | C20 | H3 | 168.3° | 60.0° |
| N18 | C19 | H14 | H15 | 119.0° | 120.0° |
| C19 | C20 | C21 | H2 | 120.6° | 119.9° |
| C19 | C20 | C21 | H3 | 120.6° | 120.0° |
| C19 | C20 | C21 | C26 | 87.7° | 90.1° |
| C19 | C20 | C21 | C22 | 90.1° | 89.8° |
| C19 | C20 | H2 | H3 | 118.1° | 120.0° |
| C20 | C19 | N18 | H13 | 81.3° | 0.1° |
| C20 | C19 | H14 | H15 | 118.9° | 120.0° |
| C11 | C10 | C08 | N07 | 169.1° | 0.0° |
| C11 | C10 | C08 | C09 | 14.0° | 179.8° |
| C10 | C08 | N07 | C09 | 176.8° | 179.8° |
| C10 | C08 | N07 | C06 | 178.5° | 180.0° |
| C10 | C08 | C09 | C04 | 178.3° | 179.7° |
| C10 | C08 | C09 | H10 | 1.7° | 0.0° |
| C08 | C10 | C11 | H11 | 0.6° | 0.0° |
| C08 | N07 | C06 | C05 | 1.1° | 0.0° |
| N07 | C08 | C09 | C04 | 1.7° | 0.5° |
| C08 | N07 | C06 | H9 | 178.9° | 180.0° |
| N07 | C08 | C09 | H10 | 178.3° | 179.8° |
| C06 | N07 | C08 | C09 | 1.6° | 0.2° |
| N07 | C06 | C05 | H9 | 180.0° | 180.0° |
| N07 | C06 | C05 | C04 | 0.6° | 0.0° |
| N07 | C06 | C05 | H8 | 179.4° | 179.9° |
| C20 | C21 | C26 | C22 | 177.9° | 179.9° |
| C20 | C21 | C26 | C25 | 178.4° | 180.0° |
| C20 | C21 | C22 | C23 | 178.7° | 180.0° |
| C21 | C20 | H2 | H3 | 118.1° | 120.0° |
| C20 | C21 | C22 | H4 | 1.3° | 0.1° |
| C20 | C21 | C26 | H6 | 1.6° | 0.1° |
| C21 | C20 | C19 | H14 | 168.0° | 60.0° |
| C21 | C20 | C19 | H15 | 72.7° | 60.0° |
| C08 | C09 | C04 | H10 | 180.0° | 179.7° |
| C08 | C09 | C04 | C05 | 1.1° | 0.6° |
| C08 | C09 | C04 | C02 | 179.5° | 179.8° |
| C06 | C05 | C04 | C09 | 0.6° | 0.3° |
| C06 | C05 | C04 | H8 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 180.0° | 179.9° |
| C21 | C26 | C25 | H6 | 180.0° | 179.9° |
| C26 | C21 | C22 | C23 | 0.8° | 0.2° |
| C21 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C21 | C20 | H2 | 32.9° | 150.0° |
| C26 | C21 | C20 | H3 | 151.7° | 29.9° |
| C26 | C21 | C22 | H4 | 179.2° | 179.8° |
| C21 | C26 | C25 | H17 | 180.0° | 179.9° |
| C22 | C21 | C26 | C25 | 0.5° | 0.2° |
| C21 | C22 | C23 | H4 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.5° | 0.0° |
| C22 | C21 | C20 | H2 | 149.3° | 30.2° |
| C22 | C21 | C20 | H3 | 30.5° | 150.2° |
| C22 | C21 | C26 | H6 | 179.5° | 179.8° |
| C21 | C22 | C23 | H16 | 179.4° | 180.0° |
| C09 | C04 | C05 | C02 | 179.4° | 179.6° |
| C09 | C04 | C02 | O01 | 29.7° | 0.4° |
| C09 | C04 | C02 | O03 | 151.3° | 179.7° |
| C09 | C04 | C05 | H8 | 179.4° | 179.8° |
| C26 | C25 | C24 | H17 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.3° | 0.2° |
| C26 | C25 | C24 | H5 | 179.7° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.2° |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C22 | C23 | C24 | H5 | 180.0° | 180.0° |
| C05 | C04 | C02 | O01 | 150.9° | 180.0° |
| C05 | C04 | C02 | O03 | 28.1° | 0.1° |
| C04 | C05 | C06 | H9 | 179.4° | 180.0° |
| C05 | C04 | C09 | H10 | 178.9° | 179.7° |
| C04 | C02 | O01 | O03 | 178.9° | 179.9° |
| C04 | C02 | O03 | H7 | 178.9° | 179.9° |
| C02 | C04 | C05 | H8 | 0.0° | 0.1° |
| C02 | C04 | C09 | H10 | 0.5° | 0.1° |
| C25 | C24 | C23 | H5 | 180.0° | 179.8° |
| C24 | C25 | C26 | H6 | 180.0° | 179.9° |
| C25 | C24 | C23 | H16 | 180.0° | 179.8° |
| C24 | C23 | C22 | H4 | 179.5° | 180.0° |
| C23 | C24 | C25 | H17 | 179.7° | 179.7° |
| O01 | C02 | O03 | H7 | 0.0° | 0.1° |
| H1 | C13 | C14 | H12 | 1.3° | 0.5° |
| H2 | C20 | C19 | H14 | 47.4° | 179.9° |
| H2 | C20 | C19 | H15 | 166.7° | 60.0° |
| H3 | C20 | C19 | H14 | 71.4° | 60.0° |
| H3 | C20 | C19 | H15 | 47.9° | 180.0° |
| H4 | C22 | C23 | H16 | 0.6° | 0.0° |
| H5 | C24 | C23 | H16 | 0.0° | 0.0° |
| H5 | C24 | C25 | H17 | 0.3° | 0.1° |
| H6 | C26 | C25 | H17 | 0.0° | 0.1° |
| H8 | C05 | C06 | H9 | 0.6° | 0.1° |
| H13 | N18 | C19 | H14 | 158.4° | 120.0° |
| H13 | N18 | C19 | H15 | 39.0° | 120.0° |
