A1H9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.36Å | |
| C2 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | F6 | sing | 1.40Å | 1.39Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C8 | N3 | sing | 1.47Å | 1.45Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | N3 | 112.3° | 109.5° |
| F1 | C2 | H22 | 108.8° | 109.5° |
| F1 | C2 | H21 | 108.7° | 109.5° |
| C2 | N3 | C4 | 106.5° | 109.5° |
| C2 | N3 | C7 | 114.7° | 109.5° |
| C2 | N3 | C8 | 108.4° | 109.4° |
| N3 | C2 | H22 | 108.7° | 109.5° |
| N3 | C2 | H21 | 108.8° | 109.4° |
| N3 | C4 | C5 | 108.1° | 109.5° |
| C4 | N3 | C7 | 108.1° | 109.5° |
| C4 | N3 | C8 | 110.4° | 109.5° |
| N3 | C4 | H41 | 109.8° | 109.5° |
| N3 | C4 | H42 | 109.8° | 109.5° |
| C4 | C5 | F6 | 108.4° | 109.5° |
| C4 | C5 | H51 | 109.8° | 109.5° |
| C4 | C5 | H52 | 109.7° | 109.4° |
| C5 | C4 | H41 | 109.8° | 109.4° |
| C5 | C4 | H42 | 109.8° | 109.5° |
| F6 | C5 | H51 | 109.7° | 109.5° |
| F6 | C5 | H52 | 109.8° | 109.5° |
| C7 | N3 | C8 | 108.6° | 109.5° |
| N3 | C7 | H71 | 109.5° | 109.5° |
| N3 | C7 | H72 | 109.5° | 109.5° |
| N3 | C7 | H73 | 109.5° | 109.4° |
| N3 | C8 | H83 | 109.5° | 109.5° |
| N3 | C8 | H82 | 109.5° | 109.4° |
| N3 | C8 | H81 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.4° | 109.5° |
| H22 | C2 | H21 | 109.5° | 109.4° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.4° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H83 | C8 | H82 | 109.5° | 109.5° |
| H83 | C8 | H81 | 109.4° | 109.5° |
| H82 | C8 | H81 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | N3 | H22 | 120.4° | 120.1° |
| F1 | C2 | N3 | H21 | 120.4° | 120.0° |
| F1 | C2 | N3 | C4 | 171.2° | 180.0° |
| F1 | C2 | N3 | C7 | 51.6° | 60.0° |
| F1 | C2 | N3 | C8 | 70.0° | 60.0° |
| F1 | C2 | H22 | H21 | 118.7° | 120.0° |
| C2 | N3 | C4 | C7 | 123.7° | 120.0° |
| C2 | N3 | C4 | C8 | 117.5° | 120.0° |
| C2 | N3 | C4 | C5 | 36.8° | 180.0° |
| C2 | N3 | C7 | C8 | 121.5° | 119.9° |
| N3 | C2 | H22 | H21 | 118.7° | 120.0° |
| C2 | N3 | C4 | H41 | 156.5° | 60.0° |
| C2 | N3 | C4 | H42 | 83.1° | 59.9° |
| C2 | N3 | C7 | H71 | 180.0° | 60.0° |
| C2 | N3 | C7 | H72 | 60.0° | 180.0° |
| C2 | N3 | C7 | H73 | 60.0° | 60.0° |
| C2 | N3 | C8 | H83 | 180.0° | 60.0° |
| C2 | N3 | C8 | H82 | 60.0° | 180.0° |
| C2 | N3 | C8 | H81 | 60.0° | 60.0° |
| N3 | C4 | C5 | H41 | 119.8° | 120.0° |
| N3 | C4 | C5 | H42 | 119.8° | 120.1° |
| N3 | C4 | C5 | F6 | 68.2° | 180.0° |
| C4 | N3 | C7 | C8 | 119.9° | 120.0° |
| N3 | C4 | C5 | H51 | 172.0° | 60.0° |
| N3 | C4 | C5 | H52 | 51.7° | 60.0° |
| C4 | N3 | C2 | H22 | 50.8° | 59.9° |
| C4 | N3 | C2 | H21 | 68.4° | 60.0° |
| N3 | C4 | H41 | H42 | 120.6° | 120.0° |
| C4 | N3 | C7 | H71 | 61.4° | 180.0° |
| C4 | N3 | C7 | H72 | 178.6° | 60.0° |
| C4 | N3 | C7 | H73 | 58.6° | 60.0° |
| C4 | N3 | C8 | H83 | 63.7° | 60.0° |
| C4 | N3 | C8 | H82 | 56.3° | 60.0° |
| C4 | N3 | C8 | H81 | 176.3° | 180.0° |
| C4 | C5 | F6 | H51 | 119.9° | 120.0° |
| C4 | C5 | F6 | H52 | 119.8° | 119.9° |
| C5 | C4 | N3 | C7 | 160.5° | 60.0° |
| C5 | C4 | N3 | C8 | 80.8° | 60.0° |
| C4 | C5 | H51 | H52 | 120.5° | 120.0° |
| C5 | C4 | H41 | H42 | 120.7° | 120.0° |
| F6 | C5 | H51 | H52 | 120.5° | 120.0° |
| F6 | C5 | C4 | H41 | 51.6° | 60.0° |
| F6 | C5 | C4 | H42 | 172.0° | 59.9° |
| C7 | N3 | C2 | H22 | 68.8° | 180.0° |
| C7 | N3 | C2 | H21 | 172.0° | 60.0° |
| C7 | N3 | C4 | H41 | 79.7° | 60.0° |
| C7 | N3 | C4 | H42 | 40.7° | 179.9° |
| N3 | C7 | H71 | H72 | 120.0° | 120.0° |
| N3 | C7 | H71 | H73 | 120.0° | 120.0° |
| N3 | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | N3 | C8 | H83 | 54.7° | 180.0° |
| C7 | N3 | C8 | H82 | 174.7° | 60.0° |
| C7 | N3 | C8 | H81 | 65.2° | 60.0° |
| C8 | N3 | C2 | H22 | 169.6° | 60.1° |
| C8 | N3 | C2 | H21 | 50.4° | 180.0° |
| C8 | N3 | C4 | H41 | 39.0° | 180.0° |
| C8 | N3 | C4 | H42 | 159.4° | 60.0° |
| C8 | N3 | C7 | H71 | 58.5° | 60.0° |
| C8 | N3 | C7 | H72 | 61.5° | 60.1° |
| C8 | N3 | C7 | H73 | 178.5° | 180.0° |
| N3 | C8 | H83 | H82 | 120.0° | 120.0° |
| N3 | C8 | H83 | H81 | 120.0° | 120.0° |
| N3 | C8 | H82 | H81 | 120.0° | 120.0° |
| H51 | C5 | C4 | H41 | 68.3° | 60.0° |
| H51 | C5 | C4 | H42 | 52.2° | 179.9° |
| H52 | C5 | C4 | H41 | 171.4° | 180.0° |
| H52 | C5 | C4 | H42 | 68.1° | 60.1° |
| H71 | C7 | H72 | H73 | 119.9° | 120.0° |
| H83 | C8 | H82 | H81 | 120.0° | 120.0° |
