A1CQB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | N03 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C08 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.42Å | 1.43Å | Aromatic |
| C02 | C07 | sing | 1.47Å | 1.53Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| O06 | C05 | sing | 1.43Å | 1.40Å | |
| C10 | C09 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.40Å | Aromatic |
| C07 | N15 | sing | 1.38Å | 1.32Å | Aromatic |
| C09 | C14 | sing | 1.41Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| N15 | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N03 | H10 | sing | 0.97Å | 1.00Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| O06 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C04 | C05 | 109.8° | 109.5° |
| C04 | N03 | C02 | 119.1° | 120.0° |
| N03 | C04 | H3 | 109.4° | 109.4° |
| N03 | C04 | H4 | 109.4° | 109.5° |
| C04 | N03 | H10 | 120.5° | 120.0° |
| C04 | C05 | O06 | 107.8° | 109.4° |
| C05 | C04 | H3 | 109.4° | 109.5° |
| C05 | C04 | H4 | 109.4° | 109.5° |
| C04 | C05 | H5 | 109.9° | 109.5° |
| C04 | C05 | H6 | 109.9° | 109.5° |
| N03 | C02 | C07 | 121.4° | 120.0° |
| N03 | C02 | O01 | 119.5° | 120.0° |
| C02 | N03 | H10 | 120.4° | 120.0° |
| C07 | C08 | C09 | 106.1° | 107.7° |
| C08 | C07 | C02 | 127.3° | 125.4° |
| C08 | C07 | N15 | 108.7° | 109.2° |
| C07 | C08 | H7 | 126.9° | 126.2° |
| C08 | C09 | C10 | 134.1° | 133.4° |
| C08 | C09 | C14 | 106.3° | 107.0° |
| C09 | C08 | H7 | 127.0° | 126.1° |
| C07 | C02 | O01 | 119.1° | 120.0° |
| C02 | C07 | N15 | 123.9° | 125.4° |
| O06 | C05 | H5 | 109.9° | 109.5° |
| O06 | C05 | H6 | 109.9° | 109.5° |
| C05 | O06 | H12 | 109.5° | 114.0° |
| C09 | C10 | C11 | 119.8° | 119.8° |
| C10 | C09 | C14 | 119.7° | 119.7° |
| C09 | C10 | H1 | 120.1° | 120.1° |
| C10 | C11 | C12 | 120.4° | 120.6° |
| C11 | C10 | H1 | 120.1° | 120.1° |
| C10 | C11 | H8 | 119.8° | 119.7° |
| C07 | N15 | C14 | 110.1° | 108.8° |
| C07 | N15 | H11 | 124.9° | 125.6° |
| C09 | C14 | N15 | 108.8° | 107.4° |
| C09 | C14 | C13 | 120.4° | 119.4° |
| C11 | C12 | C13 | 119.8° | 120.6° |
| C12 | C11 | H8 | 119.8° | 119.7° |
| C11 | C12 | H9 | 120.1° | 119.7° |
| N15 | C14 | C13 | 130.8° | 133.2° |
| C14 | N15 | H11 | 124.9° | 125.6° |
| C14 | C13 | C12 | 119.9° | 119.8° |
| C14 | C13 | H2 | 120.0° | 120.1° |
| C12 | C13 | H2 | 120.1° | 120.1° |
| C13 | C12 | H9 | 120.1° | 119.7° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C04 | C05 | H3 | 120.0° | 120.0° |
| N03 | C04 | C05 | H4 | 120.0° | 120.0° |
| C04 | N03 | C02 | H10 | 180.0° | 180.0° |
| C04 | N03 | C02 | C07 | 179.9° | 180.0° |
| C04 | N03 | C02 | O01 | 0.3° | 0.0° |
| N03 | C04 | C05 | O06 | 51.8° | 65.0° |
| N03 | C04 | H3 | H4 | 119.8° | 120.0° |
| N03 | C04 | C05 | H5 | 67.9° | 175.0° |
| N03 | C04 | C05 | H6 | 171.5° | 55.0° |
| C05 | C04 | N03 | C02 | 95.2° | 180.0° |
| C04 | C05 | O06 | H5 | 119.8° | 120.0° |
| C04 | C05 | O06 | H6 | 119.7° | 120.0° |
| C05 | C04 | H3 | H4 | 119.8° | 120.0° |
| C04 | C05 | H5 | H6 | 120.8° | 120.0° |
| C05 | C04 | N03 | H10 | 84.8° | 0.0° |
| C04 | C05 | O06 | H12 | 180.0° | 179.9° |
| N03 | C02 | C07 | C08 | 4.5° | 180.0° |
| N03 | C02 | C07 | O01 | 179.6° | 180.0° |
| N03 | C02 | C07 | N15 | 175.5° | 0.0° |
| C02 | N03 | C04 | H3 | 24.9° | 60.0° |
| C02 | N03 | C04 | H4 | 144.8° | 60.0° |
| C07 | C08 | C09 | H7 | 180.0° | 179.9° |
| C08 | C07 | C02 | N15 | 180.0° | 180.0° |
| C08 | C07 | C02 | O01 | 175.9° | 0.0° |
| C07 | C08 | C09 | C10 | 179.9° | 180.0° |
| C07 | C08 | C09 | C14 | 0.0° | 0.0° |
| C08 | C07 | N15 | C14 | 0.1° | 0.0° |
| C08 | C07 | N15 | H11 | 180.0° | 179.9° |
| C09 | C08 | C07 | C02 | 180.0° | 180.0° |
| C08 | C09 | C10 | C14 | 179.9° | 180.0° |
| C08 | C09 | C10 | C11 | 179.9° | 180.0° |
| C09 | C08 | C07 | N15 | 0.0° | 0.0° |
| C08 | C09 | C14 | N15 | 0.1° | 0.0° |
| C08 | C09 | C14 | C13 | 179.9° | 180.0° |
| C08 | C09 | C10 | H1 | 0.1° | 0.3° |
| C02 | C07 | N15 | C14 | 180.0° | 180.0° |
| C02 | C07 | C08 | H7 | 0.0° | 0.0° |
| C07 | C02 | N03 | H10 | 0.1° | 0.0° |
| C02 | C07 | N15 | H11 | 0.0° | 0.1° |
| O01 | C02 | C07 | N15 | 4.1° | 180.0° |
| O01 | C02 | N03 | H10 | 179.7° | 180.0° |
| O06 | C05 | C04 | H3 | 171.8° | 175.1° |
| O06 | C05 | C04 | H4 | 68.2° | 55.0° |
| O06 | C05 | H5 | H6 | 120.7° | 120.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | C14 | N15 | 180.0° | 180.0° |
| C10 | C09 | C14 | C13 | 0.0° | 0.0° |
| C10 | C09 | C08 | H7 | 0.1° | 0.0° |
| C09 | C10 | C11 | H8 | 180.0° | 180.0° |
| C11 | C10 | C09 | C14 | 0.0° | 0.0° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C07 | N15 | C14 | C09 | 0.1° | 0.0° |
| C07 | N15 | C14 | H11 | 180.0° | 179.9° |
| C07 | N15 | C14 | C13 | 179.8° | 180.0° |
| N15 | C07 | C08 | H7 | 180.0° | 179.9° |
| C09 | C14 | N15 | C13 | 179.9° | 179.9° |
| C09 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C09 | C10 | H1 | 180.0° | 179.7° |
| C09 | C14 | C13 | H2 | 179.9° | 179.9° |
| C14 | C09 | C08 | H7 | 179.9° | 180.0° |
| C09 | C14 | N15 | H11 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 180.0° | 179.6° |
| C11 | C12 | C13 | H2 | 179.9° | 180.0° |
| N15 | C14 | C13 | C12 | 180.0° | 180.0° |
| N15 | C14 | C13 | H2 | 0.0° | 0.1° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | H9 | 179.9° | 179.9° |
| C13 | C14 | N15 | H11 | 0.1° | 0.1° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| H1 | C10 | C11 | H8 | 0.0° | 0.4° |
| H2 | C13 | C12 | H9 | 0.1° | 0.2° |
| H3 | C04 | C05 | H5 | 52.1° | 55.0° |
| H3 | C04 | C05 | H6 | 68.5° | 65.0° |
| H3 | C04 | N03 | H10 | 155.2° | 120.0° |
| H4 | C04 | C05 | H5 | 172.0° | 65.0° |
| H4 | C04 | C05 | H6 | 51.5° | 175.0° |
| H4 | C04 | N03 | H10 | 35.2° | 120.0° |
| H5 | C05 | O06 | H12 | 60.2° | 59.9° |
| H6 | C05 | O06 | H12 | 60.3° | 60.1° |
| H8 | C11 | C12 | H9 | 0.0° | 0.1° |
