A1CFR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.51Å | |
| F09 | C07 | sing | 1.40Å | 1.35Å | |
| F08 | C07 | sing | 1.40Å | 1.34Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C11 | sing | 1.53Å | 1.51Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C07 | F10 | sing | 1.40Å | 1.34Å | |
| C04 | C05 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| N02 | C03 | sing | 1.47Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C12 | C03 | sing | 1.53Å | 1.60Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 1.01Å | 1.00Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 115.0° | 111.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| C01 | N02 | H4 | 108.1° | 111.0° |
| F09 | C07 | F08 | 106.7° | 109.5° |
| F09 | C07 | C06 | 111.3° | 109.5° |
| F09 | C07 | F10 | 104.2° | 109.5° |
| F08 | C07 | C06 | 116.3° | 109.5° |
| F08 | C07 | F10 | 103.8° | 109.5° |
| C07 | C06 | C11 | 110.8° | 109.5° |
| C07 | C06 | C05 | 108.9° | 109.5° |
| C06 | C07 | F10 | 113.5° | 109.5° |
| C07 | C06 | H11 | 108.7° | 109.5° |
| C11 | C06 | C05 | 110.2° | 109.5° |
| C06 | C11 | C12 | 109.5° | 109.5° |
| C11 | C06 | H11 | 109.1° | 109.4° |
| C06 | C11 | H12 | 109.5° | 109.4° |
| C06 | C11 | H13 | 109.5° | 109.5° |
| C06 | C05 | C04 | 108.8° | 109.5° |
| C06 | C05 | H9 | 109.6° | 109.4° |
| C06 | C05 | H10 | 109.6° | 109.4° |
| C05 | C06 | H11 | 109.1° | 109.5° |
| C05 | C04 | C03 | 108.1° | 109.5° |
| C05 | C04 | H7 | 109.8° | 109.5° |
| C05 | C04 | H8 | 109.8° | 109.5° |
| C04 | C05 | H9 | 109.6° | 109.5° |
| C04 | C05 | H10 | 109.6° | 109.5° |
| C04 | C03 | N02 | 107.4° | 109.5° |
| C04 | C03 | C12 | 112.8° | 109.5° |
| C04 | C03 | H6 | 107.6° | 109.5° |
| C03 | C04 | H7 | 109.8° | 109.5° |
| C03 | C04 | H8 | 109.8° | 109.4° |
| N02 | C03 | C12 | 114.5° | 109.5° |
| C03 | N02 | H4 | 108.1° | 111.0° |
| N02 | C03 | H6 | 107.7° | 109.4° |
| C11 | C12 | C03 | 112.9° | 109.5° |
| C12 | C11 | H12 | 109.5° | 109.5° |
| C12 | C11 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 108.6° | 109.5° |
| C11 | C12 | H15 | 108.6° | 109.5° |
| C12 | C03 | H6 | 106.6° | 109.5° |
| C03 | C12 | H14 | 108.6° | 109.4° |
| C03 | C12 | H15 | 108.6° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.4° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 70.7° | 155.0° |
| C01 | N02 | C03 | H4 | 120.8° | 123.9° |
| C01 | N02 | C03 | C12 | 55.3° | 85.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | N02 | C03 | H6 | 173.7° | 35.0° |
| F09 | C07 | F08 | C06 | 124.9° | 120.0° |
| F09 | C07 | F08 | F10 | 109.7° | 120.0° |
| F09 | C07 | C06 | F10 | 117.2° | 120.0° |
| F09 | C07 | C06 | C11 | 178.6° | 60.0° |
| F09 | C07 | C06 | C05 | 60.0° | 180.0° |
| F09 | C07 | C06 | H11 | 58.7° | 60.0° |
| F08 | C07 | C06 | F10 | 120.3° | 120.1° |
| F08 | C07 | C06 | C11 | 56.1° | 180.0° |
| F08 | C07 | C06 | C05 | 177.5° | 60.0° |
| F08 | C07 | C06 | H11 | 63.8° | 60.0° |
| C07 | C06 | C11 | C05 | 120.6° | 120.0° |
| C07 | C06 | C11 | H11 | 119.6° | 120.0° |
| C07 | C06 | C05 | H11 | 118.5° | 120.0° |
| C07 | C06 | C05 | C04 | 168.4° | 180.0° |
| C07 | C06 | C11 | C12 | 179.4° | 180.0° |
| C07 | C06 | C05 | H9 | 48.5° | 60.0° |
| C07 | C06 | C05 | H10 | 71.7° | 60.0° |
| C07 | C06 | C11 | H12 | 59.4° | 60.0° |
| C07 | C06 | C11 | H13 | 60.6° | 60.0° |
| C11 | C06 | C05 | H11 | 119.8° | 120.0° |
| C11 | C06 | C07 | F10 | 64.2° | 60.0° |
| C11 | C06 | C05 | C04 | 69.9° | 60.0° |
| C06 | C11 | C12 | H12 | 120.0° | 119.9° |
| C06 | C11 | C12 | H13 | 120.0° | 120.0° |
| C06 | C11 | C12 | C03 | 46.5° | 60.0° |
| C11 | C06 | C05 | H9 | 170.2° | 60.0° |
| C11 | C06 | C05 | H10 | 50.0° | 180.0° |
| C06 | C11 | H12 | H13 | 120.0° | 120.0° |
| C06 | C11 | C12 | H14 | 167.0° | 60.0° |
| C06 | C11 | C12 | H15 | 74.0° | 180.0° |
| C05 | C06 | C07 | F10 | 57.2° | 60.0° |
| C06 | C05 | C04 | H9 | 119.9° | 120.0° |
| C06 | C05 | C04 | H10 | 119.9° | 120.0° |
| C06 | C05 | C04 | C03 | 65.2° | 60.0° |
| C05 | C06 | C11 | C12 | 58.8° | 60.0° |
| C06 | C05 | C04 | H7 | 54.6° | 180.0° |
| C06 | C05 | C04 | H8 | 175.0° | 59.9° |
| C06 | C05 | H9 | H10 | 120.3° | 120.0° |
| C05 | C06 | C11 | H12 | 61.2° | 60.0° |
| C05 | C06 | C11 | H13 | 178.9° | 180.0° |
| F10 | C07 | C06 | H11 | 175.9° | 179.9° |
| C05 | C04 | C03 | H7 | 119.8° | 120.0° |
| C05 | C04 | C03 | H8 | 119.8° | 120.0° |
| C05 | C04 | C03 | N02 | 179.7° | 180.0° |
| C05 | C04 | C03 | C12 | 53.2° | 60.0° |
| C05 | C04 | C03 | H6 | 64.1° | 60.0° |
| C05 | C04 | H7 | H8 | 120.6° | 120.1° |
| C04 | C05 | H9 | H10 | 120.3° | 120.0° |
| C04 | C05 | C06 | H11 | 49.9° | 59.9° |
| C04 | C03 | N02 | C12 | 126.0° | 120.0° |
| C04 | C03 | N02 | H6 | 115.6° | 120.0° |
| C04 | C03 | C12 | C11 | 45.2° | 60.0° |
| C04 | C03 | C12 | H6 | 117.9° | 120.0° |
| C04 | C03 | N02 | H4 | 168.5° | 31.0° |
| C03 | C04 | H7 | H8 | 120.6° | 119.9° |
| C03 | C04 | C05 | H9 | 174.9° | 60.0° |
| C03 | C04 | C05 | H10 | 54.7° | 180.0° |
| C04 | C03 | C12 | H14 | 165.7° | 60.0° |
| C04 | C03 | C12 | H15 | 75.3° | 180.0° |
| N02 | C03 | C12 | C11 | 168.4° | 180.0° |
| N02 | C03 | C12 | H6 | 119.0° | 120.0° |
| C03 | N02 | C01 | H1 | 180.0° | 60.0° |
| C03 | N02 | C01 | H2 | 60.0° | 60.1° |
| C03 | N02 | C01 | H3 | 60.0° | 180.0° |
| N02 | C03 | C04 | H7 | 60.4° | 60.0° |
| N02 | C03 | C04 | H8 | 60.0° | 60.0° |
| N02 | C03 | C12 | H14 | 71.1° | 60.0° |
| N02 | C03 | C12 | H15 | 47.8° | 60.0° |
| C11 | C12 | C03 | H14 | 120.5° | 120.0° |
| C11 | C12 | C03 | H15 | 120.5° | 120.0° |
| C11 | C12 | C03 | H6 | 72.7° | 60.0° |
| C12 | C11 | C06 | H11 | 61.0° | 60.0° |
| C12 | C11 | H12 | H13 | 120.0° | 120.1° |
| C11 | C12 | H14 | H15 | 118.4° | 120.0° |
| C12 | C03 | N02 | H4 | 65.5° | 151.0° |
| C12 | C03 | C04 | H7 | 66.6° | 180.0° |
| C12 | C03 | C04 | H8 | 173.0° | 60.0° |
| C03 | C12 | C11 | H12 | 73.5° | 59.9° |
| C03 | C12 | C11 | H13 | 166.5° | 180.0° |
| C03 | C12 | H14 | H15 | 118.4° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H4 | 59.2° | 63.9° |
| H2 | C01 | N02 | H4 | 60.8° | 176.0° |
| H3 | C01 | N02 | H4 | 179.2° | 56.1° |
| H4 | N02 | C03 | H6 | 52.9° | 88.9° |
| H6 | C03 | C04 | H7 | 176.1° | 60.0° |
| H6 | C03 | C04 | H8 | 55.7° | 180.0° |
| H6 | C03 | C12 | H14 | 47.9° | 180.0° |
| H6 | C03 | C12 | H15 | 166.8° | 60.0° |
| H7 | C04 | C05 | H9 | 65.3° | 60.0° |
| H7 | C04 | C05 | H10 | 174.5° | 60.0° |
| H8 | C04 | C05 | H9 | 55.1° | 179.9° |
| H8 | C04 | C05 | H10 | 65.1° | 60.0° |
| H9 | C05 | C06 | H11 | 70.0° | 180.0° |
| H10 | C05 | C06 | H11 | 169.8° | 60.0° |
| H11 | C06 | C11 | H12 | 179.0° | NaN° |
| H11 | C06 | C11 | H13 | 59.1° | 60.0° |
| H12 | C11 | C12 | H14 | 47.0° | 179.9° |
| H12 | C11 | C12 | H15 | 165.9° | 60.0° |
| H13 | C11 | C12 | H14 | 73.0° | 60.0° |
| H13 | C11 | C12 | H15 | 46.0° | 60.0° |
