A1I9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | N09 | sing | 1.37Å | 1.34Å | Aromatic |
| C08 | C07 | doub | 1.34Å | 1.39Å | Aromatic |
| N09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O05 | C04 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C07 | C15 | sing | 1.46Å | 1.42Å | Aromatic |
| C06 | C04 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | O03 | sing | 1.34Å | 1.40Å | |
| C15 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| O03 | C02 | sing | 1.45Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N09 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C08 | C07 | 107.1° | 109.9° |
| C08 | N09 | C10 | 110.3° | 109.9° |
| N09 | C08 | H11 | 126.5° | 125.1° |
| C08 | N09 | H13 | 124.9° | 125.0° |
| C08 | C07 | C06 | 126.5° | 126.5° |
| C08 | C07 | C15 | 108.2° | 107.0° |
| C07 | C08 | H11 | 126.5° | 125.0° |
| N09 | C10 | C11 | 132.0° | 133.5° |
| N09 | C10 | C15 | 108.2° | 107.2° |
| C10 | N09 | H13 | 124.8° | 125.1° |
| O05 | C04 | C06 | 121.7° | 120.0° |
| O05 | C04 | O03 | 121.0° | 120.1° |
| C11 | C10 | C15 | 119.8° | 119.3° |
| C10 | C11 | C12 | 120.3° | 119.8° |
| C10 | C11 | H2 | 119.8° | 120.1° |
| C10 | C15 | C07 | 106.1° | 106.0° |
| C10 | C15 | C14 | 120.2° | 119.9° |
| C06 | C07 | C15 | 125.2° | 126.5° |
| C07 | C06 | C04 | 113.5° | 109.5° |
| C07 | C06 | H9 | 108.5° | 109.5° |
| C07 | C06 | H10 | 108.5° | 109.5° |
| C07 | C15 | C14 | 133.6° | 134.0° |
| C06 | C04 | O03 | 117.4° | 120.0° |
| C04 | C06 | H9 | 108.5° | 109.4° |
| C04 | C06 | H10 | 108.5° | 109.5° |
| C11 | C12 | C13 | 119.2° | 120.7° |
| C12 | C11 | H2 | 119.8° | 120.1° |
| C11 | C12 | H12 | 120.4° | 119.7° |
| C04 | O03 | C02 | 112.8° | 117.0° |
| C15 | C14 | C13 | 120.0° | 119.8° |
| C15 | C14 | H3 | 120.0° | 120.1° |
| C12 | C13 | C14 | 120.4° | 120.5° |
| C12 | C13 | H1 | 119.8° | 119.7° |
| C13 | C12 | H12 | 120.4° | 119.7° |
| O03 | C02 | C01 | 106.2° | 109.4° |
| O03 | C02 | H7 | 110.3° | 109.5° |
| O03 | C02 | H8 | 110.3° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C01 | C02 | H7 | 110.3° | 109.5° |
| C01 | C02 | H8 | 110.3° | 109.5° |
| C14 | C13 | H1 | 119.8° | 119.7° |
| C13 | C14 | H3 | 120.0° | 120.2° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.4° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C08 | C07 | H11 | 180.0° | 180.0° |
| C08 | N09 | C10 | H13 | 180.0° | 180.0° |
| C08 | N09 | C10 | C11 | 179.9° | 179.7° |
| C08 | N09 | C10 | C15 | 0.0° | 0.0° |
| N09 | C08 | C07 | C06 | 179.9° | 180.0° |
| N09 | C08 | C07 | C15 | 0.3° | 0.0° |
| C07 | C08 | N09 | C10 | 0.2° | 0.0° |
| C08 | C07 | C15 | C10 | 0.3° | 0.0° |
| C08 | C07 | C06 | C15 | 179.7° | 180.0° |
| C08 | C07 | C06 | C04 | 114.5° | 95.0° |
| C08 | C07 | C15 | C14 | 179.2° | 180.0° |
| C08 | C07 | C06 | H9 | 124.9° | 145.1° |
| C08 | C07 | C06 | H10 | 6.1° | 25.0° |
| C07 | C08 | N09 | H13 | 179.8° | 180.0° |
| N09 | C10 | C11 | C15 | 179.9° | 179.7° |
| N09 | C10 | C15 | C07 | 0.2° | 0.0° |
| N09 | C10 | C11 | C12 | 179.6° | 179.9° |
| N09 | C10 | C15 | C14 | 179.3° | 180.0° |
| N09 | C10 | C11 | H2 | 0.3° | 0.1° |
| C10 | N09 | C08 | H11 | 179.8° | 180.0° |
| O05 | C04 | C06 | C07 | 98.0° | 0.0° |
| O05 | C04 | C06 | O03 | 179.3° | 180.0° |
| O05 | C04 | O03 | C02 | 4.6° | 0.0° |
| O05 | C04 | C06 | H9 | 141.4° | 120.0° |
| O05 | C04 | C06 | H10 | 22.6° | 120.0° |
| C11 | C10 | C15 | C07 | 179.8° | 179.8° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 0.6° | 0.3° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C10 | C11 | C12 | H12 | 179.6° | 179.9° |
| C11 | C10 | N09 | H13 | 0.1° | 0.3° |
| C10 | C15 | C07 | C06 | 179.9° | 180.0° |
| C10 | C15 | C07 | C14 | 178.9° | 180.0° |
| C15 | C10 | C11 | C12 | 0.3° | 0.2° |
| C10 | C15 | C14 | C13 | 1.1° | 0.0° |
| C15 | C10 | C11 | H2 | 179.8° | 179.7° |
| C10 | C15 | C14 | H3 | 178.9° | 180.0° |
| C15 | C10 | N09 | H13 | 180.0° | 180.0° |
| C07 | C06 | C04 | H9 | 120.6° | 120.0° |
| C07 | C06 | C04 | H10 | 120.6° | 120.0° |
| C07 | C06 | C04 | O03 | 82.7° | 180.0° |
| C06 | C07 | C15 | C14 | 1.0° | 0.0° |
| C07 | C06 | H9 | H10 | 118.2° | 120.1° |
| C06 | C07 | C08 | H11 | 0.1° | 0.0° |
| C15 | C07 | C06 | C04 | 65.8° | 85.0° |
| C07 | C15 | C14 | C13 | 180.0° | 180.0° |
| C07 | C15 | C14 | H3 | 0.1° | 0.0° |
| C15 | C07 | C06 | H9 | 54.8° | 34.9° |
| C15 | C07 | C06 | H10 | 173.6° | 155.0° |
| C15 | C07 | C08 | H11 | 179.7° | 180.0° |
| C06 | C04 | O03 | C02 | 174.7° | 180.0° |
| C04 | C06 | H9 | H10 | 118.2° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.9° | 0.3° |
| C11 | C12 | C13 | H1 | 179.1° | 180.0° |
| C04 | O03 | C02 | C01 | 179.6° | 180.0° |
| C04 | O03 | C02 | H7 | 60.9° | 60.0° |
| C04 | O03 | C02 | H8 | 60.1° | 60.0° |
| O03 | C04 | C06 | H9 | 37.9° | 60.0° |
| O03 | C04 | C06 | H10 | 156.7° | 60.0° |
| C15 | C14 | C13 | C12 | 1.2° | 0.2° |
| C15 | C14 | C13 | H3 | 180.0° | 179.9° |
| C15 | C14 | C13 | H1 | 178.7° | 180.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C13 | C12 | C11 | H2 | 179.6° | 180.0° |
| C12 | C13 | C14 | H3 | 178.8° | 179.7° |
| O03 | C02 | C01 | H7 | 119.5° | 120.0° |
| O03 | C02 | C01 | H8 | 119.5° | 120.0° |
| O03 | C02 | C01 | H4 | 180.0° | 60.1° |
| O03 | C02 | C01 | H5 | 60.0° | 60.0° |
| O03 | C02 | C01 | H6 | 60.0° | 180.0° |
| O03 | C02 | H7 | H8 | 121.5° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C02 | C01 | H4 | H6 | 120.0° | 119.9° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | H7 | H8 | 121.5° | 120.0° |
| C14 | C13 | C12 | H12 | 179.1° | 179.7° |
| H1 | C13 | C14 | H3 | 1.2° | 0.0° |
| H1 | C13 | C12 | H12 | 0.9° | 0.0° |
| H2 | C11 | C12 | H12 | 0.4° | 0.0° |
| H4 | C01 | H5 | H6 | 119.9° | 119.9° |
| H4 | C01 | C02 | H7 | 60.5° | 59.9° |
| H4 | C01 | C02 | H8 | 60.5° | 180.0° |
| H5 | C01 | C02 | H7 | 179.5° | 180.0° |
| H5 | C01 | C02 | H8 | 59.5° | 60.0° |
| H6 | C01 | C02 | H7 | 59.5° | 60.0° |
| H6 | C01 | C02 | H8 | 179.5° | 60.1° |
| H11 | C08 | N09 | H13 | 0.2° | 0.1° |
