5N9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C18 | sing | 1.74Å | 1.78Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| F09 | C07 | sing | 1.40Å | 1.37Å | |
| O26 | C27 | sing | 1.43Å | 1.40Å | |
| O26 | C17 | sing | 1.36Å | 1.41Å | |
| C29 | C27 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| N01 | C02 | doub | 1.32Å | 1.32Å | Aromatic |
| N01 | C06 | sing | 1.32Å | 1.32Å | Aromatic |
| F08 | C07 | sing | 1.40Å | 1.37Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C07 | F10 | sing | 1.40Å | 1.37Å | |
| C19 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C22 | sing | 1.48Å | 1.53Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | N21 | doub | 1.33Å | 1.32Å | Aromatic |
| C22 | N23 | sing | 1.33Å | 1.32Å | Aromatic |
| N21 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| C04 | N11 | sing | 1.39Å | 1.46Å | |
| N23 | C24 | doub | 1.32Å | 1.32Å | Aromatic |
| C20 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| N11 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C18 | C17 | 120.1° | 120.0° |
| CL1 | C18 | C19 | 119.3° | 119.9° |
| C28 | C27 | O26 | 107.9° | 109.5° |
| C28 | C27 | C29 | 111.5° | 109.4° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C28 | C27 | H271 | 109.5° | 109.5° |
| F09 | C07 | F08 | 109.4° | 109.5° |
| F09 | C07 | C06 | 109.3° | 109.4° |
| F09 | C07 | F10 | 109.9° | 109.5° |
| C27 | O26 | C17 | 119.3° | 116.9° |
| O26 | C27 | C29 | 107.1° | 109.4° |
| O26 | C27 | H271 | 111.4° | 109.5° |
| O26 | C17 | C18 | 118.2° | 119.9° |
| O26 | C17 | C16 | 122.9° | 120.0° |
| C29 | C27 | H271 | 109.4° | 109.5° |
| C27 | C29 | H293 | 109.5° | 109.5° |
| C27 | C29 | H291 | 109.5° | 109.5° |
| C27 | C29 | H292 | 109.5° | 109.5° |
| C17 | C18 | C19 | 120.6° | 120.1° |
| C18 | C17 | C16 | 118.9° | 120.1° |
| C18 | C19 | C14 | 120.2° | 119.9° |
| C18 | C19 | H191 | 119.9° | 120.1° |
| C17 | C16 | C15 | 120.4° | 120.1° |
| C17 | C16 | H161 | 119.8° | 119.9° |
| C02 | N01 | C06 | 121.9° | 121.9° |
| N01 | C02 | C03 | 121.3° | 120.8° |
| N01 | C02 | H021 | 119.4° | 119.6° |
| N01 | C06 | C07 | 120.2° | 119.6° |
| N01 | C06 | C05 | 119.8° | 120.8° |
| F08 | C07 | C06 | 109.9° | 109.5° |
| F08 | C07 | F10 | 109.1° | 109.5° |
| C06 | C07 | F10 | 109.1° | 109.4° |
| C07 | C06 | C05 | 120.0° | 119.6° |
| C19 | C14 | C15 | 119.8° | 119.9° |
| C19 | C14 | C22 | 119.5° | 120.0° |
| C14 | C19 | H191 | 119.9° | 120.1° |
| C02 | C03 | C04 | 119.0° | 119.1° |
| C03 | C02 | H021 | 119.4° | 119.6° |
| C02 | C03 | H031 | 120.5° | 120.5° |
| C06 | C05 | C04 | 120.6° | 119.1° |
| C06 | C05 | H051 | 119.7° | 120.4° |
| C16 | C15 | C14 | 120.1° | 119.9° |
| C16 | C15 | H151 | 120.0° | 120.1° |
| C15 | C16 | H161 | 119.8° | 119.9° |
| C15 | C14 | C22 | 120.7° | 120.1° |
| C14 | C15 | H151 | 120.0° | 120.0° |
| C14 | C22 | N21 | 120.1° | 119.2° |
| C14 | C22 | N23 | 118.2° | 119.2° |
| C03 | C04 | C05 | 117.5° | 118.3° |
| C03 | C04 | N11 | 122.0° | 120.9° |
| C04 | C03 | H031 | 120.5° | 120.5° |
| C05 | C04 | N11 | 120.5° | 120.8° |
| C04 | C05 | H051 | 119.7° | 120.5° |
| N21 | C22 | N23 | 121.6° | 121.6° |
| C22 | N21 | C20 | 121.0° | 120.7° |
| C22 | N23 | C24 | 120.8° | 120.7° |
| N21 | C20 | C12 | 118.9° | 119.2° |
| N21 | C20 | H201 | 120.5° | 120.5° |
| C04 | N11 | C13 | 121.2° | 120.0° |
| C04 | N11 | H111 | 106.5° | 120.0° |
| N23 | C24 | C12 | 119.5° | 119.2° |
| N23 | C24 | H241 | 120.2° | 120.4° |
| C20 | C12 | C24 | 118.1° | 118.6° |
| C20 | C12 | C13 | 122.0° | 120.7° |
| C12 | C20 | H201 | 120.6° | 120.3° |
| C24 | C12 | C13 | 119.9° | 120.7° |
| C12 | C24 | H241 | 120.3° | 120.4° |
| C12 | C13 | N11 | 109.6° | 109.4° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| N11 | C13 | H132 | 109.5° | 109.5° |
| N11 | C13 | H131 | 109.5° | 109.5° |
| C13 | N11 | H111 | 106.5° | 120.0° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.4° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C18 | C17 | O26 | 0.2° | 0.0° |
| CL1 | C18 | C17 | C19 | 179.9° | 179.8° |
| CL1 | C18 | C17 | C16 | 179.6° | 180.0° |
| CL1 | C18 | C19 | C14 | 179.6° | 180.0° |
| CL1 | C18 | C19 | H191 | 0.4° | 0.2° |
| C28 | C27 | O26 | C29 | 120.2° | 119.9° |
| C28 | C27 | O26 | H271 | 120.3° | 120.1° |
| C28 | C27 | O26 | C17 | 99.3° | 84.9° |
| C28 | C27 | C29 | H271 | 121.3° | 120.0° |
| C27 | C28 | H282 | H281 | 120.0° | 119.9° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C28 | C27 | C29 | H293 | 180.0° | 60.0° |
| C28 | C27 | C29 | H291 | 60.0° | 180.0° |
| C28 | C27 | C29 | H292 | 60.0° | 60.0° |
| F09 | C07 | C06 | N01 | 52.5° | 150.2° |
| F09 | C07 | F08 | C06 | 120.0° | 120.0° |
| F09 | C07 | F08 | F10 | 120.3° | 120.0° |
| F09 | C07 | C06 | F10 | 120.3° | 120.0° |
| F09 | C07 | C06 | C05 | 127.6° | 30.0° |
| O26 | C27 | C29 | H271 | 120.9° | 120.1° |
| C27 | O26 | C17 | C18 | 166.3° | 174.6° |
| C27 | O26 | C17 | C16 | 14.3° | 5.5° |
| O26 | C27 | C28 | H282 | 180.0° | 60.1° |
| O26 | C27 | C28 | H281 | 60.0° | 59.9° |
| O26 | C27 | C28 | H283 | 60.0° | 179.9° |
| O26 | C27 | C29 | H293 | 62.2° | 60.0° |
| O26 | C27 | C29 | H291 | 177.8° | 60.0° |
| O26 | C27 | C29 | H292 | 57.8° | 179.9° |
| C17 | O26 | C27 | C29 | 140.5° | 155.2° |
| O26 | C17 | C18 | C16 | 179.4° | 180.0° |
| O26 | C17 | C18 | C19 | 179.7° | 179.8° |
| O26 | C17 | C16 | C15 | 179.8° | 180.0° |
| O26 | C17 | C16 | H161 | 0.2° | 0.1° |
| C17 | O26 | C27 | H271 | 21.0° | 35.2° |
| C29 | C27 | C28 | H282 | 62.7° | 180.0° |
| C29 | C27 | C28 | H281 | 177.3° | 60.0° |
| C29 | C27 | C28 | H283 | 57.4° | 60.0° |
| C27 | C29 | H293 | H291 | 120.0° | 120.1° |
| C27 | C29 | H293 | H292 | 120.0° | 120.0° |
| C27 | C29 | H291 | H292 | 120.0° | 120.1° |
| C17 | C18 | C19 | C14 | 0.5° | 0.2° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | H161 | 179.6° | 180.0° |
| C17 | C18 | C19 | H191 | 179.5° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.2° |
| C18 | C19 | C14 | H191 | 180.0° | 179.8° |
| C18 | C19 | C14 | C15 | 1.1° | 0.0° |
| C18 | C19 | C14 | C22 | 179.1° | 180.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.2° |
| C17 | C16 | C15 | H151 | 179.8° | 180.0° |
| C02 | N01 | C06 | C07 | 179.9° | 179.8° |
| N01 | C02 | C03 | H021 | 180.0° | 179.7° |
| C02 | N01 | C06 | C05 | 0.2° | 0.5° |
| N01 | C02 | C03 | C04 | 0.2° | 0.3° |
| N01 | C02 | C03 | H031 | 179.8° | 179.8° |
| N01 | C06 | C07 | F08 | 67.6° | 30.3° |
| N01 | C06 | C07 | C05 | 179.9° | 179.7° |
| N01 | C06 | C07 | F10 | 172.8° | 89.8° |
| C06 | N01 | C02 | C03 | 0.2° | 0.5° |
| N01 | C06 | C05 | C04 | 0.3° | 0.3° |
| C06 | N01 | C02 | H021 | 179.9° | 179.8° |
| N01 | C06 | C05 | H051 | 179.7° | 179.8° |
| F08 | C07 | C06 | F10 | 119.6° | 120.0° |
| F08 | C07 | C06 | C05 | 112.3° | 150.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C07 | C06 | C05 | H051 | 0.2° | 0.1° |
| F10 | C07 | C06 | C05 | 7.3° | 89.9° |
| C19 | C14 | C15 | C16 | 1.0° | 0.2° |
| C19 | C14 | C15 | C22 | 178.0° | 180.0° |
| C19 | C14 | C22 | N21 | 24.6° | 0.0° |
| C19 | C14 | C22 | N23 | 154.0° | 180.0° |
| C19 | C14 | C15 | H151 | 179.0° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C02 | C03 | C04 | N11 | 179.6° | 180.0° |
| C06 | C05 | C04 | C03 | 0.3° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | N11 | 179.7° | 180.0° |
| C16 | C15 | C14 | H151 | 180.0° | 179.8° |
| C16 | C15 | C14 | C22 | 178.9° | 179.7° |
| C15 | C14 | C22 | N21 | 157.4° | 180.0° |
| C15 | C14 | C22 | N23 | 24.0° | 0.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.7° |
| C15 | C14 | C19 | H191 | 178.9° | 179.8° |
| C14 | C22 | N21 | N23 | 178.5° | 180.0° |
| C14 | C22 | N21 | C20 | 179.1° | 180.0° |
| C14 | C22 | N23 | C24 | 179.1° | 179.7° |
| C22 | C14 | C15 | H151 | 1.1° | 0.0° |
| C22 | C14 | C19 | H191 | 0.9° | 0.3° |
| C03 | C04 | C05 | N11 | 179.4° | 180.0° |
| C03 | C04 | N11 | C13 | 8.5° | 0.1° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C03 | C04 | C05 | H051 | 179.7° | 180.0° |
| C03 | C04 | N11 | H111 | 113.1° | 180.0° |
| C05 | C04 | N11 | C13 | 172.1° | 180.0° |
| C05 | C04 | C03 | H031 | 179.8° | 180.0° |
| C05 | C04 | N11 | H111 | 66.3° | 0.0° |
| N21 | C22 | N23 | C24 | 0.5° | 0.3° |
| C22 | N21 | C20 | C12 | 0.0° | 0.0° |
| C22 | N21 | C20 | H201 | 180.0° | 179.7° |
| N23 | C22 | N21 | C20 | 0.5° | 0.0° |
| C22 | N23 | C24 | C12 | 0.0° | 0.6° |
| C22 | N23 | C24 | H241 | 179.9° | 180.0° |
| N21 | C20 | C12 | H201 | 180.0° | 179.6° |
| N21 | C20 | C12 | C24 | 0.4° | 0.3° |
| N21 | C20 | C12 | C13 | 179.7° | 179.8° |
| C04 | N11 | C13 | C12 | 69.3° | 180.0° |
| C04 | N11 | C13 | H111 | 121.6° | 179.9° |
| C04 | N11 | C13 | H132 | 170.7° | 60.1° |
| C04 | N11 | C13 | H131 | 50.7° | 60.0° |
| N11 | C04 | C03 | H031 | 0.3° | 0.0° |
| N11 | C04 | C05 | H051 | 0.3° | 0.0° |
| N23 | C24 | C12 | C20 | 0.4° | 0.6° |
| N23 | C24 | C12 | H241 | 180.0° | 179.4° |
| N23 | C24 | C12 | C13 | 179.7° | 179.5° |
| C20 | C12 | C24 | C13 | 179.2° | 179.9° |
| C20 | C12 | C13 | N11 | 128.2° | 90.1° |
| C20 | C12 | C13 | H132 | 111.8° | 150.0° |
| C20 | C12 | C13 | H131 | 8.2° | 29.9° |
| C20 | C12 | C24 | H241 | 179.6° | 180.0° |
| C24 | C12 | C13 | N11 | 51.0° | 90.0° |
| C24 | C12 | C13 | H132 | 69.0° | 29.9° |
| C24 | C12 | C13 | H131 | 171.1° | 149.9° |
| C24 | C12 | C20 | H201 | 179.6° | 180.0° |
| C12 | C13 | N11 | H132 | 120.0° | 120.0° |
| C12 | C13 | N11 | H131 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 119.9° | 120.0° |
| C13 | C12 | C20 | H201 | 0.3° | 0.1° |
| C13 | C12 | C24 | H241 | 0.3° | 0.1° |
| C12 | C13 | N11 | H111 | 169.1° | 0.1° |
| N11 | C13 | H132 | H131 | 120.0° | 120.0° |
| H132 | C13 | N11 | H111 | 49.1° | 120.0° |
| H131 | C13 | N11 | H111 | 70.9° | 119.9° |
| H151 | C15 | C16 | H161 | 0.2° | 0.0° |
| H282 | C28 | H281 | H283 | 120.0° | 120.1° |
| H282 | C28 | C27 | H271 | 58.5° | 60.0° |
| H281 | C28 | C27 | H271 | 61.5° | 180.0° |
| H283 | C28 | C27 | H271 | 178.6° | 60.0° |
| H021 | C02 | C03 | H031 | 0.2° | 0.1° |
| H271 | C27 | C29 | H293 | 58.7° | 180.0° |
| H271 | C27 | C29 | H291 | 61.3° | 60.0° |
| H271 | C27 | C29 | H292 | 178.7° | 60.0° |
| H293 | C29 | H291 | H292 | 120.0° | 119.9° |
