A1D9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | N12 | sing | 1.22Å | 1.41Å | |
| N12 | O13 | doub | 1.22Å | 1.18Å | |
| N12 | C11 | sing | 1.46Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.37Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.37Å | Aromatic |
| C05 | C09 | sing | 1.46Å | 1.43Å | Aromatic |
| C04 | N07 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C08 | doub | 1.34Å | 1.39Å | Aromatic |
| N07 | C08 | sing | 1.37Å | 1.32Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | N12 | O13 | 119.8° | 120.0° |
| O14 | N12 | C11 | 119.9° | 120.0° |
| O13 | N12 | C11 | 120.3° | 120.0° |
| N12 | C11 | C10 | 112.3° | 109.5° |
| N12 | C11 | H8 | 108.8° | 109.5° |
| N12 | C11 | H9 | 108.8° | 109.4° |
| C11 | C10 | C06 | 120.0° | 109.5° |
| C11 | C10 | H1 | 106.8° | 109.4° |
| C11 | C10 | H2 | 106.8° | 109.5° |
| C10 | C11 | H8 | 108.8° | 109.5° |
| C10 | C11 | H9 | 108.7° | 109.5° |
| C02 | C01 | C06 | 120.2° | 120.5° |
| C01 | C02 | C03 | 120.0° | 120.7° |
| C02 | C01 | H3 | 119.9° | 119.7° |
| C01 | C02 | H4 | 120.0° | 119.6° |
| C01 | C06 | C10 | 119.9° | 120.1° |
| C01 | C06 | C05 | 119.8° | 119.8° |
| C06 | C01 | H3 | 119.9° | 119.7° |
| C02 | C03 | C04 | 120.1° | 119.8° |
| C03 | C02 | H4 | 120.0° | 119.7° |
| C02 | C03 | H5 | 120.0° | 120.1° |
| C10 | C06 | C05 | 120.3° | 120.1° |
| C06 | C10 | H1 | 106.8° | 109.5° |
| C06 | C10 | H2 | 106.8° | 109.5° |
| C06 | C05 | C04 | 119.9° | 119.9° |
| C06 | C05 | C09 | 134.2° | 134.1° |
| C03 | C04 | C05 | 120.0° | 119.4° |
| C03 | C04 | N07 | 130.9° | 133.5° |
| C04 | C03 | H5 | 120.0° | 120.1° |
| C04 | C05 | C09 | 105.9° | 106.0° |
| C05 | C04 | N07 | 109.1° | 107.2° |
| C05 | C09 | C08 | 106.3° | 107.0° |
| C05 | C09 | H7 | 126.8° | 126.5° |
| C04 | N07 | C08 | 109.7° | 109.8° |
| C04 | N07 | H10 | 125.1° | 125.1° |
| C09 | C08 | N07 | 109.0° | 109.9° |
| C09 | C08 | H6 | 125.5° | 125.1° |
| C08 | C09 | H7 | 126.9° | 126.5° |
| N07 | C08 | H6 | 125.5° | 125.0° |
| C08 | N07 | H10 | 125.1° | 125.1° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | N12 | O13 | C11 | 179.9° | 180.0° |
| O14 | N12 | C11 | C10 | 133.1° | 135.0° |
| O14 | N12 | C11 | H8 | 106.5° | 105.0° |
| O14 | N12 | C11 | H9 | 12.7° | 15.0° |
| O13 | N12 | C11 | C10 | 46.8° | 45.0° |
| O13 | N12 | C11 | H8 | 73.6° | 75.0° |
| O13 | N12 | C11 | H9 | 167.2° | 165.0° |
| N12 | C11 | C10 | H8 | 120.4° | 120.0° |
| N12 | C11 | C10 | H9 | 120.4° | 120.0° |
| N12 | C11 | C10 | C06 | 82.2° | 180.0° |
| N12 | C11 | C10 | H1 | 156.3° | 60.0° |
| N12 | C11 | C10 | H2 | 39.3° | 60.0° |
| N12 | C11 | H8 | H9 | 118.7° | 120.0° |
| C11 | C10 | C06 | C01 | 27.1° | 95.0° |
| C11 | C10 | C06 | H1 | 121.5° | 120.0° |
| C11 | C10 | C06 | H2 | 121.5° | 120.0° |
| C11 | C10 | C06 | C05 | 153.0° | 85.0° |
| C11 | C10 | H1 | H2 | 115.2° | 120.0° |
| C10 | C11 | H8 | H9 | 118.7° | 120.0° |
| C02 | C01 | C06 | H3 | 180.0° | 179.7° |
| C01 | C02 | C03 | H4 | 180.0° | 179.9° |
| C02 | C01 | C06 | C10 | 179.7° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C01 | C02 | C03 | H5 | 179.6° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C01 | C06 | C10 | C05 | 179.8° | 180.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.1° |
| C01 | C06 | C05 | C09 | 179.9° | 180.0° |
| C01 | C06 | C10 | H1 | 94.4° | 25.0° |
| C01 | C06 | C10 | H2 | 148.6° | 145.0° |
| C06 | C01 | C02 | H4 | 179.7° | 180.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | N07 | 180.0° | 179.9° |
| C03 | C02 | C01 | H3 | 179.7° | 179.7° |
| C10 | C06 | C05 | C04 | 179.8° | 180.0° |
| C10 | C06 | C05 | C09 | 0.3° | 0.0° |
| C06 | C10 | H1 | H2 | 115.2° | 120.0° |
| C10 | C06 | C01 | H3 | 0.2° | 0.3° |
| C06 | C10 | C11 | H8 | 38.2° | 60.0° |
| C06 | C10 | C11 | H9 | 157.4° | 60.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | C09 | 179.9° | 179.9° |
| C06 | C05 | C04 | N07 | 179.9° | 180.0° |
| C06 | C05 | C09 | C08 | 180.0° | 180.0° |
| C05 | C06 | C10 | H1 | 85.5° | 155.0° |
| C05 | C06 | C10 | H2 | 31.5° | 35.0° |
| C05 | C06 | C01 | H3 | 179.9° | 179.7° |
| C06 | C05 | C09 | H7 | 0.0° | 0.1° |
| C03 | C04 | C05 | N07 | 179.8° | 180.0° |
| C03 | C04 | C05 | C09 | 179.9° | 180.0° |
| C03 | C04 | N07 | C08 | 179.9° | 180.0° |
| C04 | C03 | C02 | H4 | 179.7° | 180.0° |
| C03 | C04 | N07 | H10 | 0.1° | 0.1° |
| C04 | C05 | C09 | C08 | 0.1° | 0.1° |
| C05 | C04 | N07 | C08 | 0.1° | 0.0° |
| C05 | C04 | C03 | H5 | 179.7° | 180.0° |
| C04 | C05 | C09 | H7 | 179.9° | 179.9° |
| C05 | C04 | N07 | H10 | 179.9° | 180.0° |
| C09 | C05 | C04 | N07 | 0.0° | 0.1° |
| C05 | C09 | C08 | H7 | 180.0° | 179.8° |
| C05 | C09 | C08 | N07 | 0.1° | 0.1° |
| C05 | C09 | C08 | H6 | 179.8° | 180.0° |
| C04 | N07 | C08 | C09 | 0.2° | 0.0° |
| C04 | N07 | C08 | H10 | 180.0° | 179.9° |
| N07 | C04 | C03 | H5 | 0.0° | 0.1° |
| C04 | N07 | C08 | H6 | 179.8° | 180.0° |
| C09 | C08 | N07 | H6 | 180.0° | 180.0° |
| C09 | C08 | N07 | H10 | 179.8° | 179.9° |
| N07 | C08 | C09 | H7 | 179.9° | 179.9° |
| H1 | C10 | C11 | H8 | 83.3° | 180.0° |
| H1 | C10 | C11 | H9 | 35.9° | 60.0° |
| H2 | C10 | C11 | H8 | 159.7° | 60.0° |
| H2 | C10 | C11 | H9 | 81.1° | 180.0° |
| H3 | C01 | C02 | H4 | 0.2° | 0.4° |
| H4 | C02 | C03 | H5 | 0.3° | 0.0° |
| H6 | C08 | C09 | H7 | 0.2° | 0.1° |
| H6 | C08 | N07 | H10 | 0.2° | 0.1° |
