AF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.48Å | 1.48Å | |
| C16 | C15 | doub | 1.28Å | 1.47Å | |
| C17 | C18 | sing | 1.52Å | 1.50Å | |
| C02 | C04 | sing | 1.53Å | 1.49Å | |
| C02 | N01 | sing | 1.46Å | 1.44Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C04 | C03 | sing | 1.53Å | 1.47Å | |
| C15 | C14 | sing | 1.46Å | 1.49Å | |
| C21 | C20 | sing | 1.55Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.50Å | |
| N01 | C05 | sing | 1.34Å | 1.36Å | |
| N01 | C13 | sing | 1.37Å | 1.38Å | |
| C18 | N19 | sing | 1.45Å | 1.47Å | |
| C18 | C22 | sing | 1.56Å | 1.48Å | |
| C14 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | N19 | sing | 1.46Å | 1.44Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | |
| N19 | C24 | sing | 1.34Å | 1.45Å | |
| C13 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| O09 | C07 | doub | 1.22Å | 1.26Å | |
| C24 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| N23 | C22 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | sing | 1.47Å | 1.46Å | |
| C06 | C10 | sing | 1.47Å | 1.38Å | |
| C12 | C10 | sing | 1.47Å | 1.41Å | |
| C12 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | O08 | sing | 1.35Å | 1.23Å | |
| C25 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | F26 | sing | 1.35Å | 1.36Å | |
| C10 | O11 | doub | 1.22Å | 1.24Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| O08 | H1 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| N23 | H231 | sing | 1.01Å | 1.00Å | |
| N23 | H232 | sing | 1.01Å | 1.00Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 113.3° | 131.0° |
| C16 | C17 | C18 | 108.5° | 114.1° |
| C17 | C16 | H161 | 123.4° | 114.7° |
| C16 | C17 | H172 | 109.7° | 108.6° |
| C16 | C17 | H171 | 109.7° | 107.7° |
| C16 | C15 | C14 | 123.3° | 134.5° |
| C16 | C15 | H151 | 118.3° | 111.5° |
| C15 | C16 | H161 | 123.3° | 114.3° |
| C17 | C18 | N19 | 112.2° | 111.0° |
| C17 | C18 | C22 | 119.8° | 107.9° |
| C18 | C17 | H172 | 109.7° | 109.2° |
| C18 | C17 | H171 | 109.7° | 108.8° |
| C17 | C18 | H181 | 107.9° | 112.1° |
| C04 | C02 | N01 | 140.6° | 117.5° |
| C04 | C02 | C03 | 58.9° | 60.0° |
| C02 | C04 | C03 | 60.9° | 60.0° |
| C04 | C02 | H021 | 109.0° | 117.5° |
| C02 | C04 | H041 | 119.8° | 117.5° |
| C02 | C04 | H042 | 119.8° | 117.5° |
| N01 | C02 | C03 | 113.2° | 117.5° |
| C02 | N01 | C05 | 114.1° | 116.3° |
| C02 | N01 | C13 | 125.8° | 120.9° |
| N01 | C02 | H021 | 109.8° | 115.6° |
| C02 | C03 | C04 | 60.1° | 60.0° |
| C03 | C02 | H021 | 108.8° | 117.5° |
| C02 | C03 | H031 | 120.0° | 117.5° |
| C02 | C03 | H032 | 120.0° | 117.5° |
| C04 | C03 | H031 | 120.0° | 117.5° |
| C04 | C03 | H032 | 120.0° | 117.6° |
| C03 | C04 | H041 | 119.8° | 117.5° |
| C03 | C04 | H042 | 119.8° | 117.5° |
| C15 | C14 | C13 | 122.1° | 119.7° |
| C15 | C14 | C24 | 116.3° | 121.0° |
| C14 | C15 | H151 | 118.3° | 114.0° |
| C20 | C21 | C22 | 101.0° | 105.1° |
| C21 | C20 | N19 | 104.8° | 103.6° |
| C21 | C20 | H201 | 110.6° | 110.6° |
| C21 | C20 | H202 | 110.6° | 110.5° |
| C20 | C21 | H211 | 111.6° | 110.2° |
| C20 | C21 | H212 | 111.5° | 110.4° |
| C21 | C22 | C18 | 97.8° | 104.3° |
| C21 | C22 | N23 | 115.9° | 110.6° |
| C22 | C21 | H211 | 111.5° | 110.2° |
| C22 | C21 | H212 | 111.6° | 110.3° |
| C21 | C22 | H221 | 108.6° | 109.9° |
| C05 | N01 | C13 | 120.0° | 122.5° |
| N01 | C05 | C06 | 123.3° | 121.3° |
| N01 | C05 | H051 | 118.3° | 119.2° |
| N01 | C13 | C14 | 125.3° | 124.1° |
| N01 | C13 | C12 | 117.3° | 117.5° |
| N19 | C18 | C22 | 100.2° | 101.9° |
| C18 | N19 | C20 | 106.5° | 107.6° |
| C18 | N19 | C24 | 121.0° | 124.9° |
| N19 | C18 | H181 | 108.1° | 111.7° |
| C18 | C22 | N23 | 116.6° | 111.5° |
| C22 | C18 | H181 | 108.0° | 111.8° |
| C18 | C22 | H221 | 108.7° | 110.0° |
| C13 | C14 | C24 | 121.6° | 119.1° |
| C14 | C13 | C12 | 117.4° | 118.3° |
| C14 | C24 | N19 | 122.3° | 123.9° |
| C14 | C24 | C25 | 119.6° | 119.3° |
| C20 | N19 | C24 | 132.2° | 121.4° |
| N19 | C20 | H201 | 110.6° | 110.8° |
| N19 | C20 | H202 | 110.6° | 110.7° |
| C05 | C06 | C07 | 115.6° | 121.1° |
| C05 | C06 | C10 | 119.7° | 118.0° |
| C06 | C05 | H051 | 118.4° | 119.5° |
| N19 | C24 | C25 | 118.1° | 116.7° |
| C13 | C12 | C10 | 122.6° | 119.0° |
| C13 | C12 | C27 | 119.3° | 120.1° |
| O09 | C07 | C06 | 116.2° | 120.0° |
| O09 | C07 | O08 | 121.8° | 120.0° |
| C24 | C25 | C27 | 119.8° | 121.3° |
| C24 | C25 | F26 | 121.4° | 119.5° |
| N23 | C22 | H221 | 108.6° | 110.3° |
| C22 | N23 | H231 | 109.5° | 111.0° |
| C22 | N23 | H232 | 109.5° | 111.0° |
| C07 | C06 | C10 | 124.7° | 120.9° |
| C06 | C07 | O08 | 122.1° | 120.0° |
| C06 | C10 | C12 | 117.1° | 116.9° |
| C06 | C10 | O11 | 121.8° | 121.5° |
| C10 | C12 | C27 | 118.1° | 120.9° |
| C12 | C10 | O11 | 121.1° | 121.5° |
| C12 | C27 | C25 | 122.3° | 119.3° |
| C12 | C27 | H271 | 118.8° | 120.5° |
| C07 | O08 | H1 | 109.5° | 117.0° |
| C27 | C25 | F26 | 118.8° | 119.2° |
| C25 | C27 | H271 | 118.9° | 120.2° |
| H031 | C03 | H032 | 109.4° | 115.5° |
| H041 | C04 | H042 | 109.5° | 115.6° |
| H172 | C17 | H171 | 109.5° | 108.3° |
| H201 | C20 | H202 | 109.5° | 110.5° |
| H211 | C21 | H212 | 109.5° | 110.4° |
| H231 | N23 | H232 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H161 | 180.0° | 179.8° |
| C16 | C17 | C18 | H172 | 119.8° | 121.7° |
| C16 | C17 | C18 | H171 | 119.9° | 120.3° |
| C17 | C16 | C15 | C14 | 80.9° | 2.4° |
| C16 | C17 | C18 | N19 | 72.7° | 58.2° |
| C16 | C17 | C18 | C22 | 170.3° | 169.0° |
| C17 | C16 | C15 | H151 | 99.1° | 174.9° |
| C16 | C17 | H172 | H171 | 120.4° | 116.7° |
| C16 | C17 | C18 | H181 | 46.3° | 67.5° |
| C15 | C16 | C17 | C18 | 6.5° | 19.4° |
| C16 | C15 | C14 | H151 | 180.0° | 177.3° |
| C16 | C15 | C14 | C13 | 124.8° | 168.6° |
| C16 | C15 | C14 | C24 | 56.8° | 16.2° |
| C15 | C16 | C17 | H172 | 126.3° | 102.7° |
| C15 | C16 | C17 | H171 | 113.4° | 140.2° |
| C17 | C18 | C22 | C21 | 70.9° | 86.4° |
| C17 | C18 | N19 | C22 | 128.2° | 114.6° |
| C17 | C18 | N19 | H181 | 118.8° | 125.9° |
| C17 | C18 | C22 | H181 | 124.0° | 123.7° |
| C17 | C18 | N19 | C20 | 92.5° | 71.6° |
| C17 | C18 | N19 | C24 | 82.0° | 81.2° |
| C17 | C18 | C22 | N23 | 53.2° | 33.1° |
| C18 | C17 | C16 | H161 | 173.5° | 160.8° |
| C18 | C17 | H172 | H171 | 120.5° | 118.3° |
| C17 | C18 | C22 | H221 | 176.3° | 155.7° |
| C04 | C02 | N01 | C03 | 68.7° | 68.6° |
| C04 | C02 | N01 | H021 | 169.5° | 145.6° |
| C04 | C02 | C03 | H021 | 101.3° | 107.5° |
| C02 | C04 | C03 | H041 | 109.7° | 107.5° |
| C02 | C04 | C03 | H042 | 109.7° | 107.5° |
| C04 | C02 | N01 | C05 | 38.4° | 60.1° |
| C04 | C02 | N01 | C13 | 140.7° | 125.7° |
| C04 | C02 | C03 | H031 | 109.5° | 107.5° |
| C04 | C02 | C03 | H032 | 109.5° | 107.6° |
| C02 | C04 | H041 | H042 | 144.3° | 145.7° |
| N01 | C02 | C03 | H021 | 122.4° | 145.1° |
| C02 | N01 | C05 | C13 | 179.2° | 174.1° |
| C02 | N01 | C13 | C14 | 1.5° | 36.7° |
| C02 | N01 | C05 | C06 | 179.3° | 154.9° |
| C02 | N01 | C13 | C12 | 179.3° | 147.8° |
| N01 | C02 | C03 | H031 | 26.8° | 0.0° |
| N01 | C02 | C03 | H032 | 114.1° | 145.0° |
| N01 | C02 | C04 | H041 | 160.8° | 145.0° |
| N01 | C02 | C04 | H042 | 20.2° | 0.0° |
| C02 | N01 | C05 | H051 | 0.7° | 25.2° |
| C03 | C02 | N01 | C05 | 107.1° | 8.5° |
| C03 | C02 | N01 | C13 | 72.0° | 165.7° |
| C02 | C03 | H031 | H032 | 144.7° | 145.6° |
| C04 | C03 | H031 | H032 | 144.6° | 145.7° |
| C03 | C04 | H041 | H042 | 144.2° | 145.7° |
| C15 | C14 | C13 | N01 | 1.7° | 17.5° |
| C15 | C14 | C13 | C24 | 178.3° | 175.3° |
| C15 | C14 | C24 | N19 | 0.2° | 9.9° |
| C15 | C14 | C13 | C12 | 179.1° | 158.0° |
| C15 | C14 | C24 | C25 | 179.2° | 168.4° |
| C14 | C15 | C16 | H161 | 99.1° | 177.8° |
| C20 | C21 | C22 | H211 | 118.6° | 118.8° |
| C20 | C21 | C22 | H212 | 118.6° | 119.0° |
| C21 | C20 | N19 | C18 | 4.6° | 37.6° |
| C20 | C21 | C22 | C18 | 49.3° | 8.7° |
| C21 | C20 | N19 | H201 | 119.3° | 118.6° |
| C21 | C20 | N19 | H202 | 119.2° | 118.4° |
| C21 | C20 | N19 | C24 | 178.2° | 168.5° |
| C20 | C21 | C22 | N23 | 173.9° | 128.8° |
| C21 | C20 | H201 | H202 | 122.2° | 122.6° |
| C20 | C21 | H211 | H212 | 124.0° | 122.2° |
| C20 | C21 | C22 | H221 | 63.5° | 109.2° |
| C21 | C22 | C18 | N19 | 52.1° | 30.5° |
| C21 | C22 | C18 | N23 | 124.2° | 119.4° |
| C21 | C22 | C18 | H221 | 112.7° | 117.9° |
| C22 | C21 | C20 | N19 | 28.1° | 16.0° |
| C21 | C22 | N23 | H221 | 122.6° | 121.8° |
| C21 | C22 | C18 | H181 | 165.1° | 149.9° |
| C22 | C21 | C20 | H201 | 147.4° | 134.8° |
| C22 | C21 | C20 | H202 | 91.1° | 102.5° |
| C22 | C21 | H211 | H212 | 123.9° | 122.2° |
| C21 | C22 | N23 | H231 | 180.0° | 64.4° |
| C21 | C22 | N23 | H232 | 60.0° | 59.6° |
| C05 | N01 | C13 | C14 | 179.4° | 149.5° |
| N01 | C05 | C06 | H051 | 180.0° | 179.9° |
| C05 | N01 | C13 | C12 | 0.2° | 26.1° |
| N01 | C05 | C06 | C07 | 179.8° | 179.9° |
| N01 | C05 | C06 | C10 | 0.0° | 0.0° |
| C05 | N01 | C02 | H021 | 131.0° | 154.3° |
| N01 | C13 | C14 | C12 | 179.2° | 175.5° |
| N01 | C13 | C14 | C24 | 180.0° | 167.2° |
| C13 | N01 | C05 | C06 | 0.1° | 19.2° |
| N01 | C13 | C12 | C10 | 0.2° | 13.9° |
| N01 | C13 | C12 | C27 | 179.6° | 165.1° |
| C13 | N01 | C02 | H021 | 49.9° | 19.9° |
| C13 | N01 | C05 | H051 | 179.9° | 160.7° |
| N19 | C18 | C22 | H181 | 113.0° | 119.4° |
| C18 | N19 | C24 | C14 | 16.5° | 40.6° |
| C18 | N19 | C20 | C24 | 173.6° | 153.9° |
| C18 | N19 | C24 | C25 | 162.9° | 141.1° |
| N19 | C18 | C22 | N23 | 176.3° | 149.9° |
| N19 | C18 | C17 | H172 | 47.1° | 63.5° |
| N19 | C18 | C17 | H171 | 167.4° | 178.4° |
| C18 | N19 | C20 | H201 | 114.7° | 156.3° |
| C18 | N19 | C20 | H202 | 123.8° | 80.8° |
| N19 | C18 | C22 | H221 | 60.6° | 87.4° |
| C22 | C18 | N19 | C20 | 35.8° | 43.0° |
| C22 | C18 | N19 | C24 | 149.7° | 164.2° |
| C18 | C22 | N23 | H221 | 123.2° | 122.5° |
| C22 | C18 | C17 | H172 | 69.8° | 47.3° |
| C22 | C18 | C17 | H171 | 50.5° | 70.8° |
| C18 | C22 | C21 | H211 | 168.0° | 127.5° |
| C18 | C22 | C21 | H212 | 69.3° | 110.3° |
| C18 | C22 | N23 | H231 | 65.7° | 180.0° |
| C18 | C22 | N23 | H232 | 174.3° | 56.0° |
| C13 | C14 | C24 | N19 | 178.6° | 174.8° |
| C13 | C14 | C24 | C25 | 0.8° | 6.9° |
| C14 | C13 | C12 | C10 | 179.5° | 161.9° |
| C14 | C13 | C12 | C27 | 0.4° | 19.1° |
| C13 | C14 | C15 | H151 | 55.2° | 14.2° |
| C14 | C24 | N19 | C20 | 156.4° | 108.7° |
| C14 | C24 | N19 | C25 | 179.4° | 178.3° |
| C24 | C14 | C13 | C12 | 0.8° | 17.3° |
| C14 | C24 | C25 | C27 | 0.4° | 2.3° |
| C14 | C24 | C25 | F26 | 179.4° | 177.7° |
| C24 | C14 | C15 | H151 | 123.2° | 161.1° |
| C20 | N19 | C24 | C25 | 24.2° | 69.6° |
| C20 | N19 | C18 | H181 | 148.7° | 162.5° |
| N19 | C20 | H201 | H202 | 122.2° | 123.1° |
| N19 | C20 | C21 | H211 | 146.7° | 102.7° |
| N19 | C20 | C21 | H212 | 90.5° | 135.0° |
| C05 | C06 | C07 | O09 | 12.2° | 0.0° |
| C05 | C06 | C07 | C10 | 179.8° | 180.0° |
| C05 | C06 | C10 | C12 | 0.0° | 10.6° |
| C05 | C06 | C07 | O08 | 167.1° | 180.0° |
| C05 | C06 | C10 | O11 | 179.4° | 170.5° |
| N19 | C24 | C25 | C27 | 179.0° | 176.1° |
| N19 | C24 | C25 | F26 | 1.2° | 3.9° |
| C24 | N19 | C18 | H181 | 36.8° | 44.7° |
| C24 | N19 | C20 | H201 | 58.9° | 49.8° |
| C24 | N19 | C20 | H202 | 62.5° | 73.1° |
| C13 | C12 | C10 | C06 | 0.1° | 3.5° |
| C13 | C12 | C10 | C27 | 179.9° | 178.9° |
| C13 | C12 | C27 | C25 | 0.0° | 10.1° |
| C13 | C12 | C10 | O11 | 179.5° | 177.5° |
| C13 | C12 | C27 | H271 | 180.0° | 169.8° |
| O09 | C07 | C06 | O08 | 179.3° | 180.0° |
| O09 | C07 | C06 | C10 | 167.6° | 180.0° |
| O09 | C07 | O08 | H1 | 0.0° | 0.0° |
| C24 | C25 | C27 | C12 | 0.0° | 0.7° |
| C24 | C25 | C27 | F26 | 179.8° | 180.0° |
| C24 | C25 | C27 | H271 | 180.0° | 179.4° |
| N23 | C22 | C18 | H181 | 70.8° | 90.7° |
| N23 | C22 | C21 | H211 | 67.4° | 112.5° |
| N23 | C22 | C21 | H212 | 55.3° | 9.8° |
| C22 | N23 | H231 | H232 | 120.0° | 124.0° |
| C07 | C06 | C10 | C12 | 179.8° | 169.5° |
| C07 | C06 | C10 | O11 | 0.5° | 9.5° |
| C07 | C06 | C05 | H051 | 0.2° | 0.1° |
| C06 | C07 | O08 | H1 | 179.3° | 180.0° |
| C06 | C10 | C12 | O11 | 179.4° | 179.0° |
| C06 | C10 | C12 | C27 | 179.8° | 177.6° |
| C10 | C06 | C07 | O08 | 13.0° | 0.0° |
| C10 | C06 | C05 | H051 | 180.0° | 179.9° |
| C10 | C12 | C27 | C25 | 179.9° | 171.0° |
| C10 | C12 | C27 | H271 | 0.1° | 9.1° |
| C12 | C27 | C25 | H271 | 180.0° | 180.0° |
| C12 | C27 | C25 | F26 | 179.8° | 179.3° |
| C27 | C12 | C10 | O11 | 0.4° | 1.4° |
| F26 | C25 | C27 | H271 | 0.2° | 0.6° |
| H021 | C02 | C03 | H031 | 149.2° | 145.1° |
| H021 | C02 | C03 | H032 | 8.2° | 0.1° |
| H021 | C02 | C04 | H041 | 8.7° | 0.0° |
| H021 | C02 | C04 | H042 | 149.3° | 145.0° |
| H031 | C03 | C04 | H041 | 140.8° | 145.0° |
| H031 | C03 | C04 | H042 | 0.2° | 0.0° |
| H032 | C03 | C04 | H041 | 0.2° | 0.0° |
| H032 | C03 | C04 | H042 | 140.7° | 145.0° |
| H151 | C15 | C16 | H161 | 80.9° | 4.9° |
| H161 | C16 | C17 | H172 | 53.7° | 77.1° |
| H161 | C16 | C17 | H171 | 66.6° | 39.9° |
| H172 | C17 | C18 | H181 | 166.1° | 170.9° |
| H171 | C17 | C18 | H181 | 73.6° | 52.8° |
| H181 | C18 | C22 | H221 | 52.4° | 32.0° |
| H201 | C20 | C21 | H211 | 94.0° | 16.1° |
| H201 | C20 | C21 | H212 | 28.7° | 106.2° |
| H202 | C20 | C21 | H211 | 27.5° | 138.7° |
| H202 | C20 | C21 | H212 | 150.3° | 16.4° |
| H211 | C21 | C22 | H221 | 55.2° | 9.6° |
| H212 | C21 | C22 | H221 | 177.9° | 131.8° |
| H221 | C22 | N23 | H231 | 57.5° | 57.4° |
| H221 | C22 | N23 | H232 | 62.6° | 178.5° |
