A1I2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.22Å | 1.14Å | |
| C06 | C07 | sing | 1.47Å | 1.49Å | |
| C06 | C05 | doub | 1.34Å | 1.47Å | |
| C07 | N09 | sing | 1.34Å | 1.47Å | |
| F03 | C02 | sing | 1.40Å | 1.31Å | |
| F01 | C02 | sing | 1.40Å | 1.28Å | |
| C05 | C02 | sing | 1.51Å | 1.52Å | |
| C05 | C11 | sing | 1.51Å | 1.48Å | |
| N09 | C10 | doub | 1.29Å | 1.45Å | |
| C02 | F04 | sing | 1.40Å | 1.29Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C06 | 117.6° | 118.6° |
| O08 | C07 | N09 | 119.0° | 118.7° |
| C07 | C06 | C05 | 117.5° | 120.0° |
| C06 | C07 | N09 | 123.4° | 122.7° |
| C07 | C06 | H2 | 121.3° | 120.0° |
| C06 | C05 | C02 | 125.5° | 121.3° |
| C06 | C05 | C11 | 119.2° | 117.4° |
| C05 | C06 | H2 | 121.3° | 119.9° |
| C07 | N09 | C10 | 119.8° | 122.8° |
| F03 | C02 | F01 | 94.5° | 109.4° |
| F03 | C02 | C05 | 127.2° | 109.5° |
| F03 | C02 | F04 | 102.7° | 109.4° |
| F01 | C02 | C05 | 110.9° | 109.5° |
| F01 | C02 | F04 | 122.2° | 109.4° |
| C02 | C05 | C11 | 115.2° | 121.3° |
| C05 | C02 | F04 | 101.2° | 109.5° |
| C05 | C11 | C10 | 122.5° | 117.6° |
| C05 | C11 | H3 | 106.1° | 107.8° |
| C05 | C11 | H4 | 106.1° | 107.8° |
| N09 | C10 | C11 | 117.5° | 119.5° |
| N09 | C10 | H1 | 121.2° | 120.3° |
| C11 | C10 | H1 | 121.3° | 120.2° |
| C10 | C11 | H3 | 106.1° | 107.8° |
| C10 | C11 | H4 | 106.2° | 107.8° |
| H3 | C11 | H4 | 109.5° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C06 | N09 | 179.0° | 179.7° |
| O08 | C07 | C06 | C05 | 178.3° | 180.0° |
| O08 | C07 | N09 | C10 | 179.8° | 179.7° |
| O08 | C07 | C06 | H2 | 1.7° | 0.4° |
| C07 | C06 | C05 | H2 | 180.0° | 179.6° |
| C07 | C06 | C05 | C02 | 179.7° | 179.7° |
| C07 | C06 | C05 | C11 | 3.4° | 0.3° |
| C06 | C07 | N09 | C10 | 1.2° | 0.0° |
| C05 | C06 | C07 | N09 | 0.7° | 0.3° |
| C06 | C05 | C02 | F03 | 11.3° | 120.0° |
| C06 | C05 | C02 | F01 | 102.1° | 0.0° |
| C06 | C05 | C02 | C11 | 176.4° | 180.0° |
| C06 | C05 | C02 | F04 | 126.9° | 120.0° |
| C06 | C05 | C11 | C10 | 4.4° | 0.0° |
| C06 | C05 | C11 | H3 | 117.4° | 122.1° |
| C06 | C05 | C11 | H4 | 126.2° | 122.1° |
| C07 | N09 | C10 | C11 | 0.4° | 0.3° |
| C07 | N09 | C10 | H1 | 179.6° | 180.0° |
| N09 | C07 | C06 | H2 | 179.3° | 180.0° |
| F03 | C02 | F01 | C05 | 132.8° | 120.0° |
| F03 | C02 | F01 | F04 | 108.1° | 119.9° |
| F03 | C02 | C05 | F04 | 115.6° | 120.0° |
| F03 | C02 | C05 | C11 | 165.2° | 60.0° |
| F01 | C02 | C05 | F04 | 131.1° | 120.0° |
| F01 | C02 | C05 | C11 | 81.5° | 180.0° |
| C02 | C05 | C11 | C10 | 179.0° | 180.0° |
| C02 | C05 | C06 | H2 | 0.3° | 0.1° |
| C02 | C05 | C11 | H3 | 59.2° | 57.9° |
| C02 | C05 | C11 | H4 | 57.2° | 57.9° |
| C05 | C11 | C10 | N09 | 2.3° | 0.3° |
| C11 | C05 | C02 | F04 | 49.6° | 60.0° |
| C05 | C11 | C10 | H3 | 121.8° | 122.1° |
| C05 | C11 | C10 | H4 | 121.8° | 122.0° |
| C05 | C11 | C10 | H1 | 177.7° | 180.0° |
| C11 | C05 | C06 | H2 | 176.6° | 179.9° |
| C05 | C11 | H3 | H4 | 114.1° | 116.0° |
| N09 | C10 | C11 | H1 | 180.0° | 179.7° |
| N09 | C10 | C11 | H3 | 119.4° | 121.8° |
| N09 | C10 | C11 | H4 | 124.1° | 122.4° |
| C10 | C11 | H3 | H4 | 114.2° | 116.0° |
| H1 | C10 | C11 | H3 | 60.6° | 57.9° |
| H1 | C10 | C11 | H4 | 55.9° | 57.9° |
