A1AR5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | N03 | sing | 1.32Å | 1.33Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | CL07 | sing | 1.74Å | 1.80Å | |
| C05 | N08 | sing | 1.40Å | 1.45Å | |
| N08 | C09 | sing | 1.35Å | 1.46Å | |
| N08 | C10 | sing | 1.40Å | 1.45Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C16 | sing | 1.51Å | 1.54Å | |
| C09 | O17 | doub | 1.21Å | 1.19Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | CL1 | sing | 1.80Å | 1.44Å | |
| C16 | CL2 | sing | 1.80Å | 21.58Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 121.9° | 120.9° |
| C02 | C01 | C06 | 118.9° | 119.2° |
| C02 | C01 | CL07 | 120.7° | 120.4° |
| C01 | C02 | H021 | 119.1° | 119.5° |
| C02 | N03 | C04 | 120.6° | 121.8° |
| N03 | C02 | H021 | 119.1° | 119.5° |
| N03 | C04 | C05 | 121.2° | 120.7° |
| N03 | C04 | H041 | 119.4° | 119.7° |
| C04 | C05 | C06 | 119.7° | 119.0° |
| C04 | C05 | N08 | 118.4° | 120.5° |
| C05 | C04 | H041 | 119.4° | 119.7° |
| C05 | C06 | C01 | 117.7° | 118.4° |
| C06 | C05 | N08 | 121.9° | 120.5° |
| C05 | C06 | H061 | 121.1° | 120.8° |
| C06 | C01 | CL07 | 120.4° | 120.4° |
| C01 | C06 | H061 | 121.1° | 120.8° |
| C05 | N08 | C09 | 118.0° | 120.0° |
| C05 | N08 | C10 | 121.9° | 120.0° |
| C09 | N08 | C10 | 120.1° | 120.0° |
| N08 | C09 | C16 | 121.1° | 120.0° |
| N08 | C09 | O17 | 119.2° | 120.0° |
| N08 | C10 | C11 | 123.2° | 120.1° |
| N08 | C10 | C15 | 116.9° | 120.1° |
| C10 | C11 | C12 | 119.5° | 119.9° |
| C11 | C10 | C15 | 119.9° | 119.9° |
| C10 | C11 | H111 | 120.3° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C12 | C11 | H111 | 120.3° | 120.1° |
| C11 | C12 | H121 | 119.7° | 119.9° |
| C12 | C13 | C14 | 120.1° | 120.2° |
| C12 | C13 | H131 | 119.9° | 119.9° |
| C13 | C12 | H121 | 119.8° | 120.0° |
| C13 | C14 | C15 | 119.4° | 120.1° |
| C14 | C13 | H131 | 119.9° | 119.9° |
| C13 | C14 | H141 | 120.3° | 120.0° |
| C14 | C15 | C10 | 120.6° | 119.9° |
| C14 | C15 | H151 | 119.7° | 120.1° |
| C15 | C14 | H141 | 120.3° | 119.9° |
| C10 | C15 | H151 | 119.7° | 120.0° |
| C16 | C09 | O17 | 119.7° | 120.0° |
| C09 | C16 | H1 | 126.4° | 109.4° |
| C09 | C16 | CL1 | 99.1° | 109.4° |
| C09 | C16 | CL2 | 138.9° | 109.5° |
| H1 | C16 | CL1 | 129.4° | 109.5° |
| H1 | C16 | CL2 | 92.4° | 109.5° |
| CL1 | C16 | CL2 | 55.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | H021 | 180.0° | 180.0° |
| C01 | C02 | N03 | C04 | 0.5° | 0.0° |
| C02 | C01 | C06 | C05 | 0.3° | 0.1° |
| C02 | C01 | C06 | CL07 | 179.5° | 179.8° |
| C02 | C01 | C06 | H061 | 179.7° | 180.0° |
| C02 | N03 | C04 | C05 | 0.2° | 0.5° |
| N03 | C02 | C01 | C06 | 0.8° | 0.2° |
| N03 | C02 | C01 | CL07 | 179.7° | 180.0° |
| C02 | N03 | C04 | H041 | 179.7° | 179.8° |
| N03 | C04 | C05 | H041 | 180.0° | 179.3° |
| N03 | C04 | C05 | C06 | 0.6° | 0.7° |
| N03 | C04 | C05 | N08 | 178.9° | 179.3° |
| C04 | N03 | C02 | H021 | 179.5° | 180.0° |
| C04 | C05 | C06 | N08 | 178.2° | 180.0° |
| C04 | C05 | C06 | C01 | 0.3° | 0.5° |
| C04 | C05 | N08 | C09 | 82.0° | 133.1° |
| C04 | C05 | N08 | C10 | 100.1° | 46.9° |
| C04 | C05 | C06 | H061 | 179.6° | 179.6° |
| C05 | C06 | C01 | H061 | 180.0° | 179.9° |
| C05 | C06 | C01 | CL07 | 179.8° | 179.7° |
| C06 | C05 | N08 | C09 | 96.3° | 46.9° |
| C06 | C05 | N08 | C10 | 81.6° | 133.1° |
| C06 | C05 | C04 | H041 | 179.3° | 180.0° |
| C01 | C06 | C05 | N08 | 178.6° | 179.5° |
| C06 | C01 | C02 | H021 | 179.2° | 179.8° |
| CL07 | C01 | C02 | H021 | 0.3° | 0.0° |
| CL07 | C01 | C06 | H061 | 0.2° | 0.2° |
| C05 | N08 | C09 | C10 | 177.9° | 180.0° |
| C05 | N08 | C10 | C11 | 81.2° | 53.9° |
| C05 | N08 | C10 | C15 | 98.5° | 125.9° |
| C05 | N08 | C09 | C16 | 1.0° | 179.0° |
| C05 | N08 | C09 | O17 | 179.8° | 1.0° |
| N08 | C05 | C04 | H041 | 1.0° | 0.0° |
| N08 | C05 | C06 | H061 | 1.4° | 0.4° |
| C09 | N08 | C10 | C11 | 100.9° | 126.1° |
| C09 | N08 | C10 | C15 | 79.4° | 54.1° |
| N08 | C09 | C16 | O17 | 178.8° | 180.0° |
| N08 | C09 | C16 | H1 | 80.3° | 66.9° |
| N08 | C09 | C16 | CL1 | 76.2° | 53.0° |
| N08 | C09 | C16 | CL2 | 121.9° | 173.0° |
| N08 | C10 | C11 | C15 | 179.7° | 179.7° |
| N08 | C10 | C11 | C12 | 179.7° | 179.7° |
| N08 | C10 | C15 | C14 | 179.6° | 179.7° |
| C10 | N08 | C09 | C16 | 177.0° | 1.0° |
| C10 | N08 | C09 | O17 | 1.9° | 179.0° |
| N08 | C10 | C15 | H151 | 0.4° | 0.3° |
| N08 | C10 | C11 | H111 | 0.3° | 0.2° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.0° |
| C11 | C10 | C15 | H151 | 179.9° | 180.0° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | C15 | 0.0° | 0.0° |
| C11 | C12 | C13 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C11 | H111 | 179.9° | 180.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.2° | 0.0° |
| C13 | C14 | C15 | H151 | 179.9° | 179.9° |
| C14 | C13 | C12 | H121 | 179.9° | 180.0° |
| C14 | C15 | C10 | H151 | 180.0° | 180.0° |
| C15 | C14 | C13 | H131 | 179.9° | 179.9° |
| C15 | C10 | C11 | H111 | 180.0° | 179.9° |
| C10 | C15 | C14 | H141 | 179.9° | 180.0° |
| C09 | C16 | H1 | CL1 | 149.3° | 119.9° |
| C09 | C16 | H1 | CL2 | 165.6° | 120.0° |
| C09 | C16 | CL1 | CL2 | 145.0° | 120.0° |
| O17 | C09 | C16 | H1 | 100.9° | 113.1° |
| O17 | C09 | C16 | CL1 | 102.6° | 127.0° |
| O17 | C09 | C16 | CL2 | 56.9° | 7.0° |
| H131 | C13 | C12 | H121 | 0.0° | 0.1° |
| H131 | C13 | C14 | H141 | 0.1° | 0.1° |
| H151 | C15 | C14 | H141 | 0.1° | 0.0° |
| H111 | C11 | C12 | H121 | 0.1° | 0.0° |
| H1 | C16 | CL1 | CL2 | 59.6° | 120.0° |
