A1CMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.72Å | |
| C2 | C3 | doub | 1.37Å | 1.37Å | |
| C3 | CL4 | sing | 1.74Å | 1.72Å | |
| C3 | C5 | sing | 1.41Å | 1.44Å | |
| C5 | N6 | sing | 1.35Å | 1.39Å | |
| N6 | C7 | sing | 1.46Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| N6 | N11 | sing | 1.28Å | 1.39Å | |
| N11 | C12 | doub | 1.30Å | 1.29Å | |
| C5 | O13 | doub | 1.22Å | 1.23Å | |
| C12 | C2 | sing | 1.41Å | 1.42Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8C | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C9 | H9C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 123.7° | 120.9° |
| CL1 | C2 | C12 | 118.3° | 120.8° |
| C2 | C3 | CL4 | 122.5° | 121.1° |
| C2 | C3 | C5 | 121.5° | 117.8° |
| C3 | C2 | C12 | 118.0° | 118.3° |
| CL4 | C3 | C5 | 116.0° | 121.1° |
| C3 | C5 | N6 | 113.8° | 119.4° |
| C3 | C5 | O13 | 124.6° | 120.4° |
| C5 | N6 | C7 | 122.4° | 119.2° |
| C5 | N6 | N11 | 125.6° | 121.7° |
| N6 | C5 | O13 | 121.6° | 120.3° |
| N6 | C7 | C8 | 109.5° | 109.5° |
| N6 | C7 | C9 | 109.6° | 109.5° |
| N6 | C7 | C10 | 108.6° | 109.4° |
| C7 | N6 | N11 | 112.0° | 119.2° |
| C8 | C7 | C9 | 110.4° | 109.5° |
| C8 | C7 | C10 | 109.3° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.4° | 109.4° |
| C7 | C8 | H8C | 109.5° | 109.5° |
| C9 | C7 | C10 | 109.4° | 109.5° |
| C7 | C9 | H9A | 109.5° | 109.5° |
| C7 | C9 | H9B | 109.4° | 109.5° |
| C7 | C9 | H9C | 109.4° | 109.5° |
| C7 | C10 | H10A | 109.5° | 109.5° |
| C7 | C10 | H10B | 109.5° | 109.5° |
| C7 | C10 | H10C | 109.5° | 109.5° |
| N6 | N11 | C12 | 117.2° | 122.5° |
| N11 | C12 | C2 | 123.8° | 120.4° |
| N11 | C12 | H12 | 118.1° | 119.8° |
| C2 | C12 | H12 | 118.1° | 119.8° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10C | 109.5° | 109.4° |
| H10B | C10 | H10C | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8C | 109.4° | 109.5° |
| H8B | C8 | H8C | 109.5° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9C | 109.5° | 109.5° |
| H9B | C9 | H9C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C12 | 179.5° | 179.7° |
| CL1 | C2 | C3 | CL4 | 0.4° | 0.3° |
| CL1 | C2 | C3 | C5 | 179.8° | 179.7° |
| CL1 | C2 | C12 | N11 | 179.9° | 179.7° |
| CL1 | C2 | C12 | H12 | 0.1° | 0.4° |
| C2 | C3 | CL4 | C5 | 179.8° | 179.9° |
| C2 | C3 | C5 | N6 | 0.0° | 0.0° |
| C3 | C2 | C12 | N11 | 0.3° | 0.0° |
| C2 | C3 | C5 | O13 | 179.3° | 180.0° |
| C3 | C2 | C12 | H12 | 179.7° | 180.0° |
| CL4 | C3 | C5 | N6 | 179.8° | 180.0° |
| CL4 | C3 | C5 | O13 | 0.9° | 0.0° |
| CL4 | C3 | C2 | C12 | 179.9° | 180.0° |
| C3 | C5 | N6 | O13 | 179.3° | 180.0° |
| C3 | C5 | N6 | C7 | 179.2° | 180.0° |
| C3 | C5 | N6 | N11 | 0.3° | 0.0° |
| C5 | C3 | C2 | C12 | 0.3° | 0.0° |
| C5 | N6 | C7 | N11 | 179.5° | 179.9° |
| C5 | N6 | C7 | C8 | 59.6° | 60.0° |
| C5 | N6 | C7 | C9 | 61.7° | 60.1° |
| C5 | N6 | C7 | C10 | 178.9° | 180.0° |
| C5 | N6 | N11 | C12 | 0.3° | 0.0° |
| N6 | C7 | C8 | C9 | 120.7° | 120.0° |
| N6 | C7 | C8 | C10 | 118.8° | 120.0° |
| N6 | C7 | C9 | C10 | 119.0° | 120.0° |
| C7 | N6 | N11 | C12 | 179.2° | 180.0° |
| C7 | N6 | C5 | O13 | 1.5° | 0.1° |
| N6 | C7 | C10 | H10A | 180.0° | 60.0° |
| N6 | C7 | C10 | H10B | 60.0° | 60.0° |
| N6 | C7 | C10 | H10C | 60.0° | 180.0° |
| N6 | C7 | C8 | H8A | 180.0° | 60.0° |
| N6 | C7 | C8 | H8B | 60.0° | 60.0° |
| N6 | C7 | C8 | H8C | 60.0° | 180.0° |
| N6 | C7 | C9 | H9A | 180.0° | 179.9° |
| N6 | C7 | C9 | H9B | 60.0° | 59.9° |
| N6 | C7 | C9 | H9C | 60.0° | 60.0° |
| C8 | C7 | C9 | C10 | 120.4° | 120.0° |
| C8 | C7 | N6 | N11 | 119.9° | 120.0° |
| C8 | C7 | C10 | H10A | 60.7° | 60.0° |
| C8 | C7 | C10 | H10B | 179.3° | 180.0° |
| C8 | C7 | C10 | H10C | 59.3° | 60.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8C | 120.0° | 120.0° |
| C7 | C8 | H8B | H8C | 120.0° | 120.0° |
| C8 | C7 | C9 | H9A | 59.4° | 60.0° |
| C8 | C7 | C9 | H9B | 60.7° | 179.9° |
| C8 | C7 | C9 | H9C | 179.4° | 60.0° |
| C9 | C7 | N6 | N11 | 118.8° | 120.0° |
| C9 | C7 | C10 | H10A | 60.4° | 180.0° |
| C9 | C7 | C10 | H10B | 59.6° | 60.0° |
| C9 | C7 | C10 | H10C | 179.6° | 60.0° |
| C9 | C7 | C8 | H8A | 59.2° | 60.0° |
| C9 | C7 | C8 | H8B | 179.3° | 179.9° |
| C9 | C7 | C8 | H8C | 60.7° | 60.0° |
| C7 | C9 | H9A | H9B | 120.0° | 120.1° |
| C7 | C9 | H9A | H9C | 120.0° | 120.0° |
| C7 | C9 | H9B | H9C | 119.9° | 120.0° |
| C10 | C7 | N6 | N11 | 0.7° | 0.1° |
| C7 | C10 | H10A | H10B | 120.0° | 120.0° |
| C7 | C10 | H10A | H10C | 120.0° | 120.0° |
| C7 | C10 | H10B | H10C | 120.0° | 120.0° |
| C10 | C7 | C8 | H8A | 61.2° | 180.0° |
| C10 | C7 | C8 | H8B | 58.8° | 60.0° |
| C10 | C7 | C8 | H8C | 178.8° | 60.0° |
| C10 | C7 | C9 | H9A | 61.0° | 60.0° |
| C10 | C7 | C9 | H9B | 179.0° | 60.1° |
| C10 | C7 | C9 | H9C | 59.0° | 180.0° |
| N11 | N6 | C5 | O13 | 179.0° | 180.0° |
| N6 | N11 | C12 | C2 | 0.1° | 0.0° |
| N6 | N11 | C12 | H12 | 179.9° | 179.9° |
| N11 | C12 | C2 | H12 | 180.0° | 179.9° |
| H10A | C10 | H10B | H10C | 120.0° | 120.0° |
| H8A | C8 | H8B | H8C | 120.0° | 120.0° |
| H9A | C9 | H9B | H9C | 120.0° | 120.0° |
