133
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.40Å | |
| C2 | F2 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.41Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.28Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C5 | N4 | sing | 1.36Å | 1.31Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C7 | N1 | sing | 1.38Å | 1.30Å | |
| C7 | N2 | doub | 1.30Å | 1.31Å | |
| N1 | HH11 | sing | 0.97Å | 1.00Å | |
| N1 | HH12 | sing | 0.97Å | 1.00Å | |
| N2 | HH21 | sing | 0.97Å | 1.00Å | |
| N3 | C8 | sing | 1.37Å | 1.30Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | C8 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | C1' | sing | 1.48Å | 1.38Å | Aromatic |
| C1' | C2' | doub | 1.40Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.37Å | Aromatic |
| C2' | HC'2 | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | HC'3 | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | HC'4 | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.39Å | 1.38Å | Aromatic |
| C5' | O5' | sing | 1.36Å | 1.39Å | |
| C6' | O6' | sing | 1.36Å | 1.38Å | |
| O6' | HO'6 | sing | 0.97Å | 0.95Å | |
| O5' | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C20 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C20 | C30 | sing | 1.53Å | 1.53Å | |
| C20 | C40 | sing | 1.53Å | 1.52Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.0° | 120.2° |
| C2 | C1 | C7 | 123.8° | 119.9° |
| C1 | C2 | F2 | 120.9° | 119.8° |
| C1 | C2 | C3 | 123.7° | 120.3° |
| C6 | C1 | C7 | 119.2° | 119.9° |
| C1 | C6 | C5 | 117.6° | 119.7° |
| C1 | C6 | HC6 | 121.2° | 120.1° |
| C1 | C7 | N1 | 118.4° | 120.0° |
| C1 | C7 | N2 | 122.2° | 120.0° |
| F2 | C2 | C3 | 115.4° | 119.9° |
| C2 | C3 | C4 | 114.7° | 120.0° |
| C2 | C3 | HC3 | 122.6° | 120.0° |
| C4 | C3 | HC3 | 122.7° | 120.0° |
| C3 | C4 | C5 | 123.3° | 120.2° |
| C3 | C4 | N3 | 130.4° | 133.6° |
| C5 | C4 | N3 | 106.2° | 106.2° |
| C4 | C5 | C6 | 123.5° | 119.6° |
| C4 | C5 | N4 | 113.6° | 107.1° |
| C4 | N3 | C8 | 104.4° | 107.3° |
| C4 | N3 | HN3 | 127.8° | 126.4° |
| C6 | C5 | N4 | 122.9° | 133.3° |
| C5 | C6 | HC6 | 121.2° | 120.1° |
| C5 | N4 | C8 | 98.2° | 109.6° |
| N1 | C7 | N2 | 119.4° | 120.0° |
| C7 | N1 | HH11 | 125.1° | 120.0° |
| C7 | N1 | HH12 | 109.7° | 120.0° |
| C7 | N2 | HH21 | 109.7° | 120.0° |
| HH11 | N1 | HH12 | 125.1° | 120.0° |
| C8 | N3 | HN3 | 127.8° | 126.3° |
| N3 | C8 | N4 | 117.6° | 109.8° |
| N3 | C8 | C1' | 121.6° | 125.1° |
| N4 | C8 | C1' | 120.8° | 125.1° |
| C8 | C1' | C2' | 120.3° | 120.2° |
| C8 | C1' | C6' | 120.7° | 120.1° |
| C2' | C1' | C6' | 118.9° | 119.7° |
| C1' | C2' | C3' | 120.9° | 120.0° |
| C1' | C2' | HC'2 | 119.6° | 120.0° |
| C1' | C6' | C5' | 120.7° | 119.7° |
| C1' | C6' | O6' | 121.0° | 120.2° |
| C3' | C2' | HC'2 | 119.6° | 120.0° |
| C2' | C3' | C4' | 119.4° | 120.4° |
| C2' | C3' | HC'3 | 120.3° | 119.8° |
| C4' | C3' | HC'3 | 120.3° | 119.8° |
| C3' | C4' | C5' | 121.2° | 120.2° |
| C3' | C4' | HC'4 | 119.4° | 119.9° |
| C5' | C4' | HC'4 | 119.4° | 119.8° |
| C4' | C5' | C6' | 118.8° | 120.0° |
| C4' | C5' | O5' | 122.7° | 120.0° |
| C6' | C5' | O5' | 118.5° | 120.0° |
| C5' | C6' | O6' | 118.2° | 120.2° |
| C5' | O5' | C10 | 113.4° | 106.8° |
| C6' | O6' | HO'6 | 109.5° | 106.8° |
| O5' | C10 | C20 | 110.2° | 109.5° |
| O5' | C10 | H101 | 109.0° | 109.4° |
| O5' | C10 | H102 | 109.2° | 109.5° |
| C20 | C10 | H101 | 109.1° | 109.4° |
| C20 | C10 | H102 | 109.2° | 109.5° |
| C10 | C20 | C30 | 110.7° | 109.5° |
| C10 | C20 | C40 | 110.0° | 109.5° |
| C10 | C20 | H20 | 109.0° | 109.4° |
| H101 | C10 | H102 | 110.1° | 109.5° |
| C30 | C20 | C40 | 111.7° | 109.5° |
| C30 | C20 | H20 | 107.3° | 109.5° |
| C20 | C30 | H301 | 109.5° | 109.4° |
| C20 | C30 | H302 | 109.5° | 109.5° |
| C20 | C30 | H303 | 109.5° | 109.5° |
| C40 | C20 | H20 | 108.0° | 109.4° |
| C20 | C40 | H401 | 109.5° | 109.4° |
| C20 | C40 | H402 | 109.5° | 109.5° |
| C20 | C40 | H403 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 178.3° | 179.9° |
| C1 | C2 | F2 | C3 | 179.3° | 179.9° |
| C1 | C2 | C3 | C4 | 2.8° | 0.1° |
| C1 | C2 | C3 | HC3 | 177.2° | 180.0° |
| C2 | C1 | C6 | C5 | 2.8° | 0.1° |
| C2 | C1 | C6 | HC6 | 177.2° | 179.9° |
| C2 | C1 | C7 | N1 | 166.5° | 179.9° |
| C2 | C1 | C7 | N2 | 15.0° | 0.1° |
| C6 | C1 | C2 | F2 | 177.8° | 180.0° |
| C6 | C1 | C2 | C3 | 2.9° | 0.1° |
| C1 | C6 | C5 | C4 | 3.0° | 0.1° |
| C1 | C6 | C5 | HC6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N4 | 179.7° | 179.6° |
| C6 | C1 | C7 | N1 | 11.7° | 0.0° |
| C6 | C1 | C7 | N2 | 166.8° | 179.9° |
| C7 | C1 | C2 | F2 | 0.5° | 0.0° |
| C7 | C1 | C2 | C3 | 178.8° | 180.0° |
| C7 | C1 | C6 | C5 | 178.9° | 180.0° |
| C7 | C1 | C6 | HC6 | 1.2° | 0.0° |
| C1 | C7 | N1 | N2 | 178.6° | 179.8° |
| C1 | C7 | N1 | HH11 | 0.0° | 180.0° |
| C1 | C7 | N1 | HH12 | 180.0° | 0.1° |
| C1 | C7 | N2 | HH21 | 0.8° | 179.9° |
| F2 | C2 | C3 | C4 | 177.8° | 180.0° |
| F2 | C2 | C3 | HC3 | 2.1° | 0.0° |
| C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.8° | 0.1° |
| C2 | C3 | C4 | N3 | 179.5° | 180.0° |
| C3 | C4 | C5 | N3 | 177.3° | 180.0° |
| C3 | C4 | C5 | C6 | 3.2° | 0.0° |
| C3 | C4 | C5 | N4 | 179.4° | 179.7° |
| C3 | C4 | N3 | C8 | 178.4° | 179.9° |
| C3 | C4 | N3 | HN3 | 1.5° | 0.0° |
| HC3 | C3 | C4 | C5 | 177.2° | 180.0° |
| HC3 | C3 | C4 | N3 | 0.5° | 0.0° |
| C4 | C5 | C6 | N4 | 177.2° | 179.7° |
| C4 | C5 | C6 | HC6 | 177.0° | 180.0° |
| C5 | C4 | N3 | C8 | 1.4° | 0.0° |
| C5 | C4 | N3 | HN3 | 178.6° | 180.0° |
| C4 | C5 | N4 | C8 | 1.6° | 0.4° |
| N3 | C4 | C5 | C6 | 179.5° | 180.0° |
| N3 | C4 | C5 | N4 | 2.0° | 0.3° |
| C4 | N3 | C8 | HN3 | 180.0° | 180.0° |
| C4 | N3 | C8 | N4 | 0.4° | 0.3° |
| C4 | N3 | C8 | C1' | 178.3° | 180.0° |
| C6 | C5 | N4 | C8 | 179.1° | 179.9° |
| N4 | C5 | C6 | HC6 | 0.3° | 0.4° |
| C5 | N4 | C8 | N3 | 0.7° | 0.4° |
| C5 | N4 | C8 | C1' | 179.5° | 179.8° |
| C7 | N1 | HH11 | HH12 | 180.0° | 180.0° |
| N1 | C7 | N2 | HH21 | 179.3° | 0.2° |
| N2 | C7 | N1 | HH11 | 178.5° | 0.1° |
| N2 | C7 | N1 | HH12 | 1.5° | 179.9° |
| N3 | C8 | N4 | C1' | 178.7° | 179.8° |
| N3 | C8 | C1' | C2' | 173.1° | 39.9° |
| N3 | C8 | C1' | C6' | 10.4° | 139.8° |
| HN3 | N3 | C8 | N4 | 179.6° | 179.7° |
| HN3 | N3 | C8 | C1' | 1.7° | 0.1° |
| N4 | C8 | C1' | C2' | 5.6° | 140.3° |
| N4 | C8 | C1' | C6' | 170.9° | 39.9° |
| C8 | C1' | C2' | C6' | 176.6° | 179.8° |
| C8 | C1' | C2' | C3' | 179.6° | 180.0° |
| C8 | C1' | C2' | HC'2 | 0.4° | 0.0° |
| C8 | C1' | C6' | C5' | 179.9° | 179.7° |
| C8 | C1' | C6' | O6' | 2.8° | 0.2° |
| C1' | C2' | C3' | HC'2 | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 3.9° | 0.1° |
| C1' | C2' | C3' | HC'3 | 176.1° | 180.0° |
| C2' | C1' | C6' | C5' | 3.6° | 0.5° |
| C2' | C1' | C6' | O6' | 179.4° | 180.0° |
| C6' | C1' | C2' | C3' | 3.8° | 0.3° |
| C6' | C1' | C2' | HC'2 | 176.1° | 179.8° |
| C1' | C6' | C5' | C4' | 3.3° | 0.6° |
| C1' | C6' | C5' | O6' | 177.2° | 179.5° |
| C1' | C6' | C5' | O5' | 179.4° | 179.7° |
| C1' | C6' | O6' | HO'6 | 160.9° | 90.0° |
| C2' | C3' | C4' | HC'3 | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 3.6° | 0.1° |
| C2' | C3' | C4' | HC'4 | 176.4° | 180.0° |
| HC'2 | C2' | C3' | C4' | 176.1° | 180.0° |
| HC'2 | C2' | C3' | HC'3 | 3.9° | 0.1° |
| C3' | C4' | C5' | HC'4 | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 3.3° | 0.4° |
| C3' | C4' | C5' | O5' | 179.5° | 179.9° |
| HC'3 | C3' | C4' | C5' | 176.3° | 180.0° |
| HC'3 | C3' | C4' | HC'4 | 3.6° | 0.1° |
| C4' | C5' | C6' | O5' | 177.3° | 179.7° |
| C4' | C5' | C6' | O6' | 179.5° | 179.9° |
| C4' | C5' | O5' | C10 | 33.8° | 0.0° |
| HC'4 | C4' | C5' | C6' | 176.7° | 179.8° |
| HC'4 | C4' | C5' | O5' | 0.5° | 0.1° |
| C5' | C6' | O6' | HO'6 | 22.0° | 90.5° |
| C6' | C5' | O5' | C10 | 149.0° | 179.7° |
| O5' | C5' | C6' | O6' | 2.2° | 0.2° |
| C5' | O5' | C10 | C20 | 178.0° | 180.0° |
| C5' | O5' | C10 | H101 | 62.3° | 60.1° |
| C5' | O5' | C10 | H102 | 58.0° | 60.0° |
| O5' | C10 | C20 | H101 | 119.7° | 119.9° |
| O5' | C10 | C20 | H102 | 120.0° | 120.0° |
| O5' | C10 | H101 | H102 | 119.8° | 120.0° |
| O5' | C10 | C20 | C30 | 85.4° | 180.0° |
| O5' | C10 | C20 | C40 | 38.5° | 60.0° |
| O5' | C10 | C20 | H20 | 156.8° | 60.0° |
| C20 | C10 | H101 | H102 | 119.8° | 120.0° |
| C10 | C20 | C30 | C40 | 123.0° | 120.0° |
| C10 | C20 | C30 | H20 | 118.8° | 120.0° |
| C10 | C20 | C40 | H20 | 118.9° | 119.9° |
| C10 | C20 | C30 | H301 | 22.5° | 180.0° |
| C10 | C20 | C30 | H302 | 97.5° | 60.0° |
| C10 | C20 | C30 | H303 | 142.5° | 60.0° |
| C10 | C20 | C40 | H401 | 97.6° | 60.0° |
| C10 | C20 | C40 | H402 | 142.3° | 60.0° |
| C10 | C20 | C40 | H403 | 22.3° | 180.0° |
| H101 | C10 | C20 | C30 | 34.3° | 60.1° |
| H101 | C10 | C20 | C40 | 158.2° | 60.0° |
| H101 | C10 | C20 | H20 | 83.5° | 179.9° |
| H102 | C10 | C20 | C30 | 154.6° | 60.0° |
| H102 | C10 | C20 | C40 | 81.5° | 180.0° |
| H102 | C10 | C20 | H20 | 36.8° | 60.0° |
| C30 | C20 | C40 | H20 | 117.7° | 120.1° |
| C20 | C30 | H301 | H302 | 120.0° | 119.9° |
| C20 | C30 | H301 | H303 | 120.0° | 120.0° |
| C20 | C30 | H302 | H303 | 120.0° | 120.0° |
| C30 | C20 | C40 | H401 | 25.7° | 60.0° |
| C30 | C20 | C40 | H402 | 94.3° | 180.0° |
| C30 | C20 | C40 | H403 | 145.7° | 60.0° |
| C40 | C20 | C30 | H301 | 100.4° | 60.0° |
| C40 | C20 | C30 | H302 | 139.5° | 179.9° |
| C40 | C20 | C30 | H303 | 19.5° | 60.0° |
| C20 | C40 | H401 | H402 | 120.0° | 120.0° |
| C20 | C40 | H401 | H403 | 120.0° | 120.0° |
| C20 | C40 | H402 | H403 | 120.0° | 120.0° |
| H20 | C20 | C30 | H301 | 141.4° | 60.0° |
| H20 | C20 | C30 | H302 | 21.4° | 59.9° |
| H20 | C20 | C30 | H303 | 98.6° | 180.0° |
| H20 | C20 | C40 | H401 | 143.5° | 179.9° |
| H20 | C20 | C40 | H402 | 23.4° | 60.0° |
| H20 | C20 | C40 | H403 | 96.6° | 60.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.1° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
