A1LVR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C24 | sing | 1.40Å | 1.36Å | |
| F25 | C24 | sing | 1.40Å | 1.36Å | |
| F26 | C24 | sing | 1.40Å | 1.36Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | N28 | doub | 1.31Å | 1.38Å | Aromatic |
| C23 | C16 | sing | 1.41Å | 1.43Å | Aromatic |
| N28 | N29 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.52Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| N29 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| N29 | C02 | sing | 1.35Å | 1.48Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.38Å | 1.51Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.48Å | |
| N14 | C04 | sing | 1.37Å | 1.44Å | |
| C03 | C04 | doub | 1.38Å | 1.47Å | |
| C04 | C05 | sing | 1.48Å | 1.53Å | |
| C05 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| C05 | C12 | sing | 1.40Å | 1.36Å | Aromatic |
| CL13 | C12 | sing | 1.74Å | 1.78Å | |
| C06 | C07 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | N11 | doub | 1.32Å | 1.31Å | Aromatic |
| C07 | F08 | sing | 1.35Å | 1.36Å | |
| C07 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| N11 | C09 | sing | 1.32Å | 1.32Å | Aromatic |
| C09 | CL10 | sing | 1.74Å | 1.78Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C24 | F25 | 109.6° | 109.4° |
| F27 | C24 | F26 | 109.4° | 109.4° |
| F27 | C24 | C23 | 109.2° | 109.5° |
| F25 | C24 | F26 | 109.7° | 109.5° |
| F25 | C24 | C23 | 109.3° | 109.5° |
| F26 | C24 | C23 | 109.7° | 109.5° |
| C24 | C23 | N28 | 125.9° | 125.7° |
| C24 | C23 | C16 | 126.1° | 125.8° |
| N28 | C23 | C16 | 108.0° | 108.5° |
| C23 | N28 | N29 | 106.9° | 109.1° |
| C23 | C16 | C17 | 127.0° | 126.3° |
| C23 | C16 | C15 | 107.1° | 107.3° |
| N28 | N29 | C15 | 110.1° | 107.9° |
| N28 | N29 | C02 | 130.5° | 131.8° |
| C21 | C22 | C17 | 119.9° | 119.9° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C22 | C21 | H211 | 120.0° | 119.9° |
| C21 | C22 | H221 | 120.0° | 120.1° |
| C22 | C17 | C16 | 121.0° | 120.1° |
| C22 | C17 | C18 | 120.0° | 119.7° |
| C17 | C22 | H221 | 120.0° | 120.1° |
| C17 | C16 | C15 | 125.9° | 126.4° |
| C16 | C17 | C18 | 119.0° | 120.2° |
| C16 | C15 | N29 | 107.9° | 107.2° |
| C16 | C15 | N14 | 131.6° | 132.2° |
| C21 | C20 | C19 | 120.2° | 120.3° |
| C21 | C20 | H201 | 119.9° | 119.8° |
| C20 | C21 | H211 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.1° | 119.9° |
| C17 | C18 | H181 | 119.9° | 120.0° |
| C15 | N29 | C02 | 119.4° | 120.2° |
| N29 | C15 | N14 | 120.5° | 120.6° |
| N29 | C02 | O01 | 119.3° | 119.9° |
| N29 | C02 | C03 | 120.7° | 120.1° |
| O01 | C02 | C03 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.8° | 120.1° |
| C19 | C20 | H201 | 119.9° | 119.9° |
| C20 | C19 | H191 | 120.1° | 120.0° |
| C15 | N14 | C04 | 122.4° | 120.1° |
| C15 | N14 | H141 | 118.8° | 120.0° |
| C19 | C18 | H181 | 120.0° | 120.1° |
| C18 | C19 | H191 | 120.1° | 119.9° |
| C02 | C03 | C04 | 120.7° | 119.6° |
| C02 | C03 | H031 | 119.7° | 120.2° |
| N14 | C04 | C03 | 116.3° | 119.4° |
| N14 | C04 | C05 | 114.6° | 120.3° |
| C04 | N14 | H141 | 118.8° | 120.0° |
| C03 | C04 | C05 | 128.9° | 120.3° |
| C04 | C03 | H031 | 119.6° | 120.2° |
| C04 | C05 | C06 | 120.4° | 120.6° |
| C04 | C05 | C12 | 123.0° | 120.5° |
| C06 | C05 | C12 | 116.5° | 118.9° |
| C05 | C06 | C07 | 115.5° | 118.3° |
| C05 | C06 | H061 | 122.3° | 120.9° |
| C05 | C12 | CL13 | 122.1° | 119.7° |
| C05 | C12 | N11 | 130.2° | 120.6° |
| CL13 | C12 | N11 | 107.4° | 119.7° |
| C06 | C07 | F08 | 117.9° | 120.3° |
| C06 | C07 | C09 | 123.0° | 119.3° |
| C07 | C06 | H061 | 122.3° | 120.9° |
| C12 | N11 | C09 | 113.4° | 121.8° |
| F08 | C07 | C09 | 119.0° | 120.4° |
| C07 | C09 | N11 | 121.1° | 121.0° |
| C07 | C09 | CL10 | 119.5° | 119.5° |
| N11 | C09 | CL10 | 119.4° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C24 | F25 | F26 | 120.1° | 119.9° |
| F27 | C24 | F25 | C23 | 119.6° | 120.0° |
| F27 | C24 | F26 | C23 | 119.8° | 120.0° |
| F27 | C24 | C23 | N28 | 23.9° | 115.1° |
| F27 | C24 | C23 | C16 | 156.7° | 65.0° |
| F25 | C24 | F26 | C23 | 120.0° | 120.1° |
| F25 | C24 | C23 | N28 | 95.9° | 4.9° |
| F25 | C24 | C23 | C16 | 83.5° | 175.0° |
| F26 | C24 | C23 | N28 | 143.8° | 125.0° |
| F26 | C24 | C23 | C16 | 36.8° | 54.9° |
| C24 | C23 | N28 | C16 | 179.5° | 179.9° |
| C24 | C23 | N28 | N29 | 179.7° | 179.8° |
| C24 | C23 | C16 | C17 | 1.0° | 0.1° |
| C24 | C23 | C16 | C15 | 179.8° | 179.9° |
| N28 | C23 | C16 | C17 | 179.5° | 180.0° |
| N28 | C23 | C16 | C15 | 0.3° | 0.0° |
| C23 | N28 | N29 | C15 | 0.0° | 0.5° |
| C23 | N28 | N29 | C02 | 179.9° | 180.0° |
| C16 | C23 | N28 | N29 | 0.2° | 0.3° |
| C23 | C16 | C17 | C22 | 50.9° | 114.8° |
| C23 | C16 | C17 | C15 | 179.0° | 179.9° |
| C23 | C16 | C17 | C18 | 128.8° | 65.0° |
| C23 | C16 | C15 | N29 | 0.3° | 0.2° |
| C23 | C16 | C15 | N14 | 179.8° | 179.9° |
| N28 | N29 | C15 | C16 | 0.2° | 0.4° |
| N28 | N29 | C15 | C02 | 179.9° | 179.6° |
| N28 | N29 | C02 | O01 | 0.3° | 0.1° |
| N28 | N29 | C15 | N14 | 179.9° | 179.8° |
| N28 | N29 | C02 | C03 | 179.9° | 180.0° |
| C21 | C22 | C17 | H221 | 180.0° | 179.9° |
| C21 | C22 | C17 | C16 | 179.7° | 179.7° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.1° | 0.1° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | H201 | 180.0° | 180.0° |
| C22 | C17 | C16 | C18 | 179.6° | 179.8° |
| C22 | C17 | C16 | C15 | 130.1° | 65.2° |
| C17 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | C17 | C18 | C19 | 0.2° | 0.1° |
| C17 | C22 | C21 | H211 | 180.0° | 180.0° |
| C22 | C17 | C18 | H181 | 179.8° | 180.0° |
| C17 | C16 | C15 | N29 | 179.5° | 179.7° |
| C17 | C16 | C15 | N14 | 0.7° | 0.0° |
| C16 | C17 | C18 | C19 | 179.8° | 179.7° |
| C16 | C17 | C22 | H221 | 0.3° | 0.2° |
| C16 | C17 | C18 | H181 | 0.2° | 0.2° |
| C15 | C16 | C17 | C18 | 50.3° | 114.9° |
| C16 | C15 | N29 | N14 | 179.9° | 179.7° |
| C16 | C15 | N29 | C02 | 179.8° | 180.0° |
| C16 | C15 | N14 | C04 | 179.0° | 180.0° |
| C16 | C15 | N14 | H141 | 1.0° | 0.0° |
| C21 | C20 | C19 | H201 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C22 | H221 | 180.0° | 180.0° |
| C21 | C20 | C19 | H191 | 179.9° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C18 | C17 | C22 | H221 | 179.9° | 180.0° |
| C17 | C18 | C19 | H191 | 179.8° | 179.9° |
| C15 | N29 | C02 | O01 | 179.8° | 179.5° |
| C15 | N29 | C02 | C03 | 0.0° | 0.5° |
| N29 | C15 | N14 | C04 | 1.2° | 0.3° |
| N29 | C15 | N14 | H141 | 178.8° | 179.6° |
| N29 | C02 | O01 | C03 | 179.8° | 179.9° |
| C02 | N29 | C15 | N14 | 0.1° | 0.3° |
| N29 | C02 | C03 | C04 | 1.4° | 0.9° |
| N29 | C02 | C03 | H031 | 178.6° | 179.9° |
| O01 | C02 | C03 | C04 | 178.4° | 179.2° |
| O01 | C02 | C03 | H031 | 1.6° | 0.0° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C19 | C20 | C21 | H211 | 180.0° | 180.0° |
| C20 | C19 | C18 | H181 | 179.8° | 180.0° |
| C15 | N14 | C04 | H141 | 180.0° | 180.0° |
| C15 | N14 | C04 | C03 | 2.4° | 0.6° |
| C15 | N14 | C04 | C05 | 178.1° | 179.7° |
| C18 | C19 | C20 | H201 | 179.9° | 180.0° |
| C02 | C03 | C04 | N14 | 2.5° | 0.9° |
| C02 | C03 | C04 | H031 | 180.0° | 179.2° |
| C02 | C03 | C04 | C05 | 177.5° | 180.0° |
| N14 | C04 | C03 | C05 | 175.0° | 179.1° |
| N14 | C04 | C05 | C06 | 19.9° | 122.5° |
| N14 | C04 | C05 | C12 | 163.9° | 57.3° |
| N14 | C04 | C03 | H031 | 177.5° | 179.9° |
| C03 | C04 | C05 | C06 | 155.2° | 56.6° |
| C03 | C04 | C05 | C12 | 21.1° | 123.7° |
| C03 | C04 | N14 | H141 | 177.5° | 179.3° |
| C04 | C05 | C06 | C12 | 176.5° | 179.8° |
| C04 | C05 | C12 | CL13 | 4.7° | 0.1° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C04 | C05 | C12 | N11 | 177.0° | 179.7° |
| C05 | C04 | C03 | H031 | 2.5° | 0.8° |
| C04 | C05 | C06 | H061 | 0.1° | 0.0° |
| C05 | C04 | N14 | H141 | 1.9° | 0.3° |
| C06 | C05 | C12 | CL13 | 178.8° | 179.7° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C12 | N11 | 6.6° | 0.5° |
| C05 | C06 | C07 | F08 | 179.5° | 180.0° |
| C05 | C06 | C07 | C09 | 1.4° | 0.1° |
| C05 | C12 | CL13 | N11 | 173.8° | 179.8° |
| C12 | C05 | C06 | C07 | 3.4° | 0.2° |
| C05 | C12 | N11 | C09 | 6.4° | 0.6° |
| C12 | C05 | C06 | H061 | 176.6° | 179.8° |
| CL13 | C12 | N11 | C09 | 179.5° | 179.7° |
| C06 | C07 | F08 | C09 | 179.2° | 179.9° |
| C06 | C07 | C09 | N11 | 1.4° | 0.0° |
| C06 | C07 | C09 | CL10 | 179.6° | 180.0° |
| C12 | N11 | C09 | C07 | 3.4° | 0.3° |
| C12 | N11 | C09 | CL10 | 177.6° | 179.7° |
| F08 | C07 | C09 | N11 | 179.4° | 179.9° |
| F08 | C07 | C09 | CL10 | 0.4° | 0.1° |
| F08 | C07 | C06 | H061 | 0.5° | 0.0° |
| C07 | C09 | N11 | CL10 | 179.0° | 180.0° |
| C09 | C07 | C06 | H061 | 178.7° | 180.0° |
| H201 | C20 | C21 | H211 | 0.0° | 0.0° |
| H201 | C20 | C19 | H191 | 0.1° | 0.1° |
| H211 | C21 | C22 | H221 | 0.0° | 0.0° |
| H181 | C18 | C19 | H191 | 0.2° | 0.0° |






