A1CDX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.55Å | 1.49Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C8 | sing | 1.54Å | 1.52Å | |
| C7 | C8 | sing | 1.54Å | 1.50Å | |
| C8 | F9 | sing | 1.40Å | 1.35Å | |
| C8 | F10 | sing | 1.40Å | 1.37Å | |
| N1 | H1C | sing | 1.01Å | 1.00Å | |
| N1 | H1A | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 105.0° | 104.2° |
| C5 | C6 | C7 | 102.7° | 102.7° |
| C6 | C5 | H5B | 110.6° | 110.5° |
| C6 | C5 | H5A | 110.6° | 110.4° |
| C5 | C6 | H6A | 111.1° | 110.8° |
| C5 | C6 | H6B | 111.1° | 110.8° |
| C5 | C4 | C3 | 114.1° | 110.0° |
| C5 | C4 | C8 | 104.6° | 106.6° |
| C5 | C4 | H4 | 107.5° | 110.1° |
| C4 | C5 | H5B | 110.6° | 110.5° |
| C4 | C5 | H5A | 110.6° | 110.5° |
| C6 | C7 | C8 | 103.9° | 104.2° |
| C7 | C6 | H6A | 111.1° | 110.7° |
| C7 | C6 | H6B | 111.1° | 110.8° |
| C6 | C7 | H7A | 110.8° | 110.5° |
| C6 | C7 | H7B | 110.9° | 110.4° |
| C3 | C2 | N1 | 112.0° | 109.4° |
| C2 | C3 | C4 | 113.2° | 109.5° |
| C3 | C2 | H2B | 108.8° | 109.4° |
| C3 | C2 | H2A | 108.8° | 109.5° |
| C2 | C3 | H3A | 108.6° | 109.5° |
| C2 | C3 | H3B | 108.5° | 109.4° |
| C2 | N1 | H1C | 109.5° | 111.0° |
| C2 | N1 | H1A | 109.5° | 111.0° |
| N1 | C2 | H2B | 108.8° | 109.5° |
| N1 | C2 | H2A | 108.8° | 109.5° |
| C3 | C4 | C8 | 115.1° | 110.0° |
| C3 | C4 | H4 | 107.6° | 110.1° |
| C4 | C3 | H3A | 108.5° | 109.5° |
| C4 | C3 | H3B | 108.5° | 109.5° |
| C4 | C8 | C7 | 107.3° | 106.6° |
| C4 | C8 | F9 | 106.1° | 110.0° |
| C4 | C8 | F10 | 115.4° | 110.1° |
| C8 | C4 | H4 | 107.6° | 110.0° |
| C7 | C8 | F9 | 111.2° | 110.0° |
| C7 | C8 | F10 | 112.1° | 110.0° |
| C8 | C7 | H7A | 110.8° | 110.5° |
| C8 | C7 | H7B | 110.8° | 110.5° |
| F9 | C8 | F10 | 104.6° | 110.0° |
| H1C | N1 | H1A | 109.5° | 111.0° |
| H5B | C5 | H5A | 109.5° | 110.5° |
| H6A | C6 | H6B | 109.5° | 110.8° |
| H7A | C7 | H7B | 109.5° | 110.5° |
| H2B | C2 | H2A | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H5B | 119.3° | 118.7° |
| C6 | C5 | C4 | H5A | 119.3° | 118.6° |
| C5 | C6 | C7 | H6A | 118.9° | 118.3° |
| C5 | C6 | C7 | H6B | 118.9° | 118.3° |
| C6 | C5 | C4 | C3 | 103.3° | 142.9° |
| C6 | C5 | C4 | C8 | 23.3° | 23.6° |
| C5 | C6 | C7 | C8 | 39.4° | 38.0° |
| C6 | C5 | C4 | H4 | 137.5° | 95.6° |
| C6 | C5 | H5B | H5A | 122.1° | 122.6° |
| C5 | C6 | H6A | H6B | 123.1° | 123.4° |
| C5 | C6 | C7 | H7A | 158.4° | 80.8° |
| C5 | C6 | C7 | H7B | 79.7° | 156.6° |
| C4 | C5 | C6 | C7 | 38.7° | 38.0° |
| C5 | C4 | C3 | C2 | 73.2° | 67.9° |
| C5 | C4 | C3 | C8 | 121.0° | 117.1° |
| C5 | C4 | C3 | H4 | 119.1° | 121.5° |
| C5 | C4 | C8 | H4 | 114.1° | 119.3° |
| C5 | C4 | C8 | C7 | 1.4° | 0.0° |
| C5 | C4 | C8 | F9 | 120.4° | 119.3° |
| C5 | C4 | C8 | F10 | 124.3° | 119.3° |
| C4 | C5 | H5B | H5A | 122.1° | 122.6° |
| C4 | C5 | C6 | H6A | 80.3° | 156.3° |
| C4 | C5 | C6 | H6B | 157.6° | 80.3° |
| C5 | C4 | C3 | H3A | 166.2° | 52.2° |
| C5 | C4 | C3 | H3B | 47.4° | 172.2° |
| C6 | C7 | C8 | C4 | 25.0° | 23.6° |
| C6 | C7 | C8 | H7A | 119.1° | 118.7° |
| C6 | C7 | C8 | H7B | 119.1° | 118.6° |
| C6 | C7 | C8 | F9 | 140.6° | 95.7° |
| C6 | C7 | C8 | F10 | 102.7° | 143.0° |
| C7 | C6 | C5 | H5B | 80.6° | 80.7° |
| C7 | C6 | C5 | H5A | 158.0° | 156.6° |
| C7 | C6 | H6A | H6B | 123.1° | 123.4° |
| C6 | C7 | H7A | H7B | 122.6° | 122.6° |
| C3 | C2 | N1 | H2B | 120.4° | 119.9° |
| C3 | C2 | N1 | H2A | 120.4° | 120.0° |
| C2 | C3 | C4 | H3A | 120.6° | 120.1° |
| C2 | C3 | C4 | H3B | 120.6° | 120.0° |
| C2 | C3 | C4 | C8 | 165.8° | 175.0° |
| C3 | C2 | N1 | H1C | 180.0° | 56.1° |
| C3 | C2 | N1 | H1A | 60.0° | 180.0° |
| C2 | C3 | C4 | H4 | 45.9° | 53.6° |
| C3 | C2 | H2B | H2A | 118.9° | 120.0° |
| C2 | C3 | H3A | H3B | 118.3° | 120.0° |
| N1 | C2 | C3 | C4 | 132.1° | 180.0° |
| C2 | N1 | H1C | H1A | 120.0° | 123.9° |
| N1 | C2 | H2B | H2A | 118.8° | 120.0° |
| N1 | C2 | C3 | H3A | 11.5° | 59.9° |
| N1 | C2 | C3 | H3B | 107.4° | 60.0° |
| C3 | C4 | C8 | H4 | 119.9° | 121.4° |
| C3 | C4 | C8 | C7 | 127.4° | 119.3° |
| C3 | C4 | C8 | F9 | 113.6° | 121.5° |
| C3 | C4 | C8 | F10 | 1.7° | 0.1° |
| C3 | C4 | C5 | H5B | 137.4° | 24.2° |
| C3 | C4 | C5 | H5A | 15.9° | 98.5° |
| C4 | C3 | C2 | H2B | 11.7° | 60.0° |
| C4 | C3 | C2 | H2A | 107.6° | 60.0° |
| C4 | C3 | H3A | H3B | 118.2° | 120.0° |
| C4 | C8 | C7 | F9 | 115.6° | 119.3° |
| C4 | C8 | C7 | F10 | 127.7° | 119.3° |
| C4 | C8 | F9 | F10 | 122.5° | 121.4° |
| C8 | C4 | C5 | H5B | 96.0° | 95.1° |
| C8 | C4 | C5 | H5A | 142.6° | 142.3° |
| C4 | C8 | C7 | H7A | 144.1° | 95.1° |
| C4 | C8 | C7 | H7B | 94.1° | 142.3° |
| C8 | C4 | C3 | H3A | 45.2° | 65.0° |
| C8 | C4 | C3 | H3B | 73.6° | 55.0° |
| C7 | C8 | F9 | F10 | 121.2° | 121.4° |
| C7 | C8 | C4 | H4 | 112.7° | 119.3° |
| C8 | C7 | C6 | H6A | 79.5° | 156.3° |
| C8 | C7 | C6 | H6B | 158.3° | 80.3° |
| C8 | C7 | H7A | H7B | 122.6° | 122.6° |
| F9 | C8 | C4 | H4 | 6.3° | 0.0° |
| F9 | C8 | C7 | H7A | 100.3° | 145.6° |
| F9 | C8 | C7 | H7B | 21.5° | 22.9° |
| F10 | C8 | C4 | H4 | 121.6° | 121.4° |
| F10 | C8 | C7 | H7A | 16.4° | 24.2° |
| F10 | C8 | C7 | H7B | 138.2° | 98.4° |
| H1C | N1 | C2 | H2B | 59.6° | 176.1° |
| H1C | N1 | C2 | H2A | 59.6° | 63.9° |
| H1A | N1 | C2 | H2B | 179.6° | 60.0° |
| H1A | N1 | C2 | H2A | 60.4° | 60.0° |
| H4 | C4 | C5 | H5B | 18.2° | 145.7° |
| H4 | C4 | C5 | H5A | 103.2° | 23.0° |
| H4 | C4 | C3 | H3A | 74.7° | 173.7° |
| H4 | C4 | C3 | H3B | 166.5° | 66.4° |
| H5B | C5 | C6 | H6A | 160.5° | 37.5° |
| H5B | C5 | C6 | H6B | 38.3° | 161.0° |
| H5A | C5 | C6 | H6A | 39.1° | 85.1° |
| H5A | C5 | C6 | H6B | 83.1° | 38.3° |
| H6A | C6 | C7 | H7A | 39.6° | 37.5° |
| H6A | C6 | C7 | H7B | 161.4° | 85.1° |
| H6B | C6 | C7 | H7A | 82.6° | 160.9° |
| H6B | C6 | C7 | H7B | 39.2° | 38.3° |
| H2B | C2 | C3 | H3A | 108.8° | 60.0° |
| H2B | C2 | C3 | H3B | 132.3° | 180.0° |
| H2A | C2 | C3 | H3A | 131.9° | 180.0° |
| H2A | C2 | C3 | H3B | 13.0° | 60.0° |
