A1CO5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S09 | C08 | doub | 1.56Å | 1.72Å | |
| S09 | C10 | sing | 1.77Å | 1.72Å | |
| C08 | C07 | sing | 1.38Å | 1.38Å | |
| C07 | C06 | sing | 1.48Å | 1.39Å | |
| C07 | N12 | doub | 1.32Å | 1.32Å | |
| C10 | O11 | doub | 1.22Å | 1.40Å | |
| C10 | N12 | sing | 1.33Å | 1.33Å | |
| C06 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| S09 | H9 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | S09 | C10 | 94.7° | 97.3° |
| S09 | C08 | C07 | 104.9° | 106.8° |
| S09 | C08 | H7 | 127.5° | 126.7° |
| C08 | S09 | H9 | 113.0° | 103.0° |
| S09 | C10 | O11 | 125.7° | 128.0° |
| S09 | C10 | N12 | 107.2° | 104.0° |
| C10 | S09 | H9 | 113.0° | 103.3° |
| C08 | C07 | C06 | 119.8° | 121.3° |
| C08 | C07 | N12 | 116.5° | 117.4° |
| C07 | C08 | H7 | 127.6° | 126.6° |
| C06 | C07 | N12 | 123.7° | 121.3° |
| C07 | C06 | C13 | 118.6° | 120.0° |
| C07 | C06 | C05 | 121.6° | 120.1° |
| C07 | N12 | C10 | 116.7° | 114.6° |
| O11 | C10 | N12 | 127.1° | 128.0° |
| C13 | C06 | C05 | 119.8° | 119.8° |
| C06 | C13 | C14 | 120.4° | 119.9° |
| C06 | C13 | H1 | 119.8° | 120.1° |
| C06 | C05 | C04 | 119.8° | 119.9° |
| C06 | C05 | H6 | 120.1° | 120.0° |
| C13 | C14 | C03 | 119.7° | 120.1° |
| C14 | C13 | H1 | 119.8° | 120.0° |
| C13 | C14 | H8 | 120.1° | 120.0° |
| C05 | C04 | C03 | 120.2° | 120.1° |
| C05 | C04 | H5 | 119.9° | 119.9° |
| C04 | C05 | H6 | 120.1° | 120.1° |
| C14 | C03 | C04 | 120.0° | 120.2° |
| C14 | C03 | O02 | 119.7° | 119.9° |
| C03 | C14 | H8 | 120.2° | 119.9° |
| C04 | C03 | O02 | 120.3° | 119.9° |
| C03 | C04 | H5 | 119.9° | 120.0° |
| C03 | O02 | C01 | 115.4° | 117.0° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | S09 | C10 | H9 | 117.5° | 105.3° |
| S09 | C08 | C07 | H7 | 180.0° | 179.6° |
| S09 | C08 | C07 | C06 | 180.0° | 179.7° |
| S09 | C08 | C07 | N12 | 0.0° | 0.3° |
| C08 | S09 | C10 | O11 | 180.0° | 179.9° |
| C08 | S09 | C10 | N12 | 0.1° | 0.4° |
| C10 | S09 | C08 | C07 | 0.1° | 0.4° |
| S09 | C10 | N12 | C07 | 0.2° | 0.2° |
| S09 | C10 | O11 | N12 | 179.9° | 179.7° |
| C10 | S09 | C08 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | N12 | 180.0° | 180.0° |
| C08 | C07 | N12 | C10 | 0.2° | 0.0° |
| C08 | C07 | C06 | C13 | 29.4° | 179.9° |
| C08 | C07 | C06 | C05 | 149.7° | 0.0° |
| C07 | C08 | S09 | H9 | 117.5° | 105.2° |
| C06 | C07 | N12 | C10 | 179.8° | 180.0° |
| C07 | C06 | C13 | C05 | 179.0° | 179.9° |
| C07 | C06 | C13 | C14 | 179.5° | 180.0° |
| C07 | C06 | C05 | C04 | 179.5° | 179.5° |
| C07 | C06 | C13 | H1 | 0.4° | 0.3° |
| C07 | C06 | C05 | H6 | 0.5° | 0.2° |
| C06 | C07 | C08 | H7 | 0.1° | 0.1° |
| C07 | N12 | C10 | O11 | 179.9° | 180.0° |
| N12 | C07 | C06 | C13 | 150.6° | 0.0° |
| N12 | C07 | C06 | C05 | 30.3° | 179.9° |
| N12 | C07 | C08 | H7 | 180.0° | 179.9° |
| O11 | C10 | S09 | H9 | 62.5° | 74.8° |
| N12 | C10 | S09 | H9 | 117.6° | 104.9° |
| C06 | C13 | C14 | H1 | 180.0° | 179.7° |
| C13 | C06 | C05 | C04 | 0.5° | 0.4° |
| C06 | C13 | C14 | C03 | 0.1° | 0.2° |
| C13 | C06 | C05 | H6 | 179.5° | 179.8° |
| C06 | C13 | C14 | H8 | 179.9° | 179.7° |
| C05 | C06 | C13 | C14 | 0.5° | 0.1° |
| C06 | C05 | C04 | H6 | 180.0° | 179.3° |
| C06 | C05 | C04 | C03 | 0.2° | 0.7° |
| C05 | C06 | C13 | H1 | 179.5° | 179.7° |
| C06 | C05 | C04 | H5 | 179.8° | 179.8° |
| C13 | C14 | C03 | H8 | 180.0° | 179.9° |
| C13 | C14 | C03 | C04 | 0.3° | 0.0° |
| C13 | C14 | C03 | O02 | 179.9° | 180.0° |
| C05 | C04 | C03 | C14 | 0.2° | 0.5° |
| C05 | C04 | C03 | H5 | 180.0° | 179.5° |
| C05 | C04 | C03 | O02 | 179.9° | 179.5° |
| C14 | C03 | C04 | O02 | 179.6° | 180.0° |
| C14 | C03 | O02 | C01 | 165.5° | 0.1° |
| C03 | C14 | C13 | H1 | 179.9° | 179.9° |
| C14 | C03 | C04 | H5 | 179.8° | 180.0° |
| C04 | C03 | O02 | C01 | 14.8° | 180.0° |
| C03 | C04 | C05 | H6 | 179.8° | 180.0° |
| C04 | C03 | C14 | H8 | 179.7° | 180.0° |
| C03 | O02 | C01 | H2 | 180.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| C03 | O02 | C01 | H4 | 60.0° | 180.0° |
| O02 | C03 | C04 | H5 | 0.2° | 0.0° |
| O02 | C03 | C14 | H8 | 0.1° | 0.1° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H4 | 120.0° | 120.1° |
| O02 | C01 | H3 | H4 | 120.0° | 120.1° |
| H1 | C13 | C14 | H8 | 0.1° | 0.0° |
| H2 | C01 | H3 | H4 | 120.0° | 119.9° |
| H5 | C04 | C05 | H6 | 0.2° | 0.5° |
| H7 | C08 | S09 | H9 | 62.5° | 74.5° |
