LG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | H09 | sing | 1.08Å | 1.08Å | |
| C06 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | N14 | sing | 1.39Å | 1.37Å | |
| C01 | C02 | doub | 1.41Å | 1.37Å | Aromatic |
| N14 | C13 | sing | 1.39Å | 1.37Å | |
| N14 | C33 | sing | 1.46Å | 1.48Å | |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C27 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C15 | C19 | sing | 1.47Å | 1.37Å | Aromatic |
| C15 | C12 | doub | 1.41Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.42Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | F30 | sing | 1.35Å | 1.38Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.37Å | 1.40Å | Aromatic |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | NP5 | sing | 1.35Å | 1.37Å | Aromatic |
| NP5 | C11 | doub | 1.31Å | 1.37Å | Aromatic |
| NP5 | C34 | sing | 1.47Å | 1.47Å | |
| C11 | C02 | sing | 1.47Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | H07 | sing | 1.08Å | 1.08Å | |
| C04 | F08 | sing | 1.35Å | 1.38Å | |
| C34 | H35 | sing | 1.09Å | 1.09Å | |
| C34 | H36 | sing | 1.09Å | 1.09Å | |
| C34 | H37 | sing | 1.09Å | 1.09Å | |
| C27 | H38 | sing | 1.09Å | 1.09Å | |
| C27 | H39 | sing | 1.09Å | 1.09Å | |
| C27 | H40 | sing | 1.09Å | 1.09Å | |
| C33 | H41 | sing | 1.09Å | 1.09Å | |
| C33 | H42 | sing | 1.09Å | 1.09Å | |
| C33 | H43 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 118.0° | 120.2° |
| C06 | C05 | H09 | 121.3° | 119.7° |
| C05 | C06 | C01 | 118.9° | 120.8° |
| C05 | C06 | H10 | 113.6° | 117.2° |
| C04 | C05 | H09 | 120.6° | 120.1° |
| C05 | C04 | C03 | 120.5° | 119.9° |
| C05 | C04 | F08 | 117.7° | 120.2° |
| C01 | C06 | H10 | 127.2° | 122.1° |
| C06 | C01 | N14 | 116.1° | 120.2° |
| C06 | C01 | C02 | 124.2° | 119.1° |
| N14 | C01 | C02 | 118.4° | 120.7° |
| C01 | N14 | C13 | 117.0° | 121.8° |
| C01 | N14 | C33 | 121.7° | 119.4° |
| C01 | C02 | C11 | 121.1° | 118.6° |
| C01 | C02 | C03 | 115.4° | 119.1° |
| C13 | N14 | C33 | 121.3° | 118.8° |
| N14 | C13 | C18 | 117.6° | 122.0° |
| N14 | C13 | C12 | 121.2° | 119.5° |
| N14 | C33 | H41 | 115.3° | 109.5° |
| N14 | C33 | H42 | 111.0° | 109.5° |
| N14 | C33 | H43 | 114.2° | 109.5° |
| C18 | C13 | C12 | 119.1° | 118.5° |
| C13 | C18 | C17 | 118.3° | 120.7° |
| C13 | C18 | H26 | 126.4° | 121.5° |
| C13 | C12 | C15 | 122.2° | 120.5° |
| C13 | C12 | C11 | 119.0° | 120.3° |
| C17 | C18 | H26 | 115.3° | 117.8° |
| C18 | C17 | C16 | 122.1° | 121.3° |
| C18 | C17 | C27 | 116.0° | 119.2° |
| C16 | C17 | C27 | 121.2° | 119.5° |
| C17 | C16 | C15 | 117.4° | 119.3° |
| C17 | C16 | H28 | 115.4° | 120.2° |
| C17 | C27 | H38 | 107.9° | 109.4° |
| C17 | C27 | H39 | 101.3° | 109.5° |
| C17 | C27 | H40 | 107.7° | 109.5° |
| C15 | C16 | H28 | 126.9° | 120.5° |
| C16 | C15 | C19 | 120.0° | 122.8° |
| C16 | C15 | C12 | 120.1° | 119.7° |
| C19 | C15 | C12 | 119.9° | 117.6° |
| C15 | C19 | C20 | 125.2° | 121.4° |
| C15 | C19 | C24 | 117.9° | 118.3° |
| C15 | C12 | C11 | 118.6° | 119.2° |
| C20 | C19 | C24 | 116.9° | 120.3° |
| C19 | C20 | C21 | 120.4° | 119.7° |
| C19 | C20 | H29 | 122.0° | 120.4° |
| C19 | C24 | C23 | 122.7° | 118.3° |
| C19 | C24 | NP5 | 119.8° | 120.0° |
| C21 | C20 | H29 | 116.8° | 119.9° |
| C20 | C21 | F30 | 118.1° | 119.9° |
| C20 | C21 | C22 | 122.3° | 120.1° |
| F30 | C21 | C22 | 119.5° | 120.0° |
| C21 | C22 | C23 | 115.6° | 121.1° |
| C21 | C22 | H31 | 119.6° | 119.6° |
| C23 | C22 | H31 | 124.4° | 119.3° |
| C22 | C23 | C24 | 121.1° | 120.4° |
| C22 | C23 | H32 | 124.2° | 117.8° |
| C24 | C23 | H32 | 113.7° | 121.7° |
| C23 | C24 | NP5 | 114.1° | 121.7° |
| C24 | NP5 | C11 | 113.0° | 123.6° |
| C24 | NP5 | C34 | 116.4° | 116.9° |
| C11 | NP5 | C34 | 126.8° | 119.2° |
| NP5 | C11 | C02 | 120.0° | 126.1° |
| NP5 | C11 | C12 | 119.4° | 117.5° |
| NP5 | C34 | H35 | 102.6° | 109.5° |
| NP5 | C34 | H36 | 117.9° | 109.5° |
| NP5 | C34 | H37 | 112.1° | 109.4° |
| C02 | C11 | C12 | 118.9° | 116.2° |
| C11 | C02 | C03 | 122.6° | 122.2° |
| C02 | C03 | C04 | 121.9° | 120.8° |
| C02 | C03 | H07 | 119.8° | 121.0° |
| C04 | C03 | H07 | 117.9° | 118.1° |
| C03 | C04 | F08 | 119.8° | 120.0° |
| H35 | C34 | H36 | 111.1° | 109.5° |
| H35 | C34 | H37 | 102.1° | 109.4° |
| H36 | C34 | H37 | 109.7° | 109.5° |
| H38 | C27 | H39 | 121.7° | 109.5° |
| H38 | C27 | H40 | 107.9° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| H41 | C33 | H42 | 103.9° | 109.5° |
| H41 | C33 | H43 | 107.7° | 109.5° |
| H42 | C33 | H43 | 103.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H09 | 176.2° | 179.8° |
| C05 | C06 | C01 | H10 | 173.1° | 179.6° |
| C05 | C06 | C01 | N14 | 163.0° | 178.3° |
| C05 | C06 | C01 | C02 | 3.8° | 2.6° |
| C06 | C05 | C04 | C03 | 3.5° | 1.6° |
| C06 | C05 | C04 | F08 | 160.1° | 178.9° |
| C04 | C05 | C06 | C01 | 8.6° | 0.9° |
| C04 | C05 | C06 | H10 | 177.3° | 178.7° |
| C05 | C04 | C03 | C02 | 6.9° | 1.2° |
| C05 | C04 | C03 | F08 | 163.2° | 179.5° |
| C05 | C04 | C03 | H07 | 165.4° | 175.6° |
| H09 | C05 | C06 | C01 | 167.5° | 178.9° |
| H09 | C05 | C06 | H10 | 6.5° | 1.5° |
| H09 | C05 | C04 | C03 | 172.7° | 178.2° |
| H09 | C05 | C04 | F08 | 23.7° | 1.3° |
| C06 | C01 | N14 | C02 | 167.6° | 179.1° |
| C06 | C01 | N14 | C13 | 168.0° | 170.8° |
| C06 | C01 | N14 | C33 | 15.6° | 7.6° |
| C06 | C01 | C02 | C11 | 175.2° | 173.3° |
| C06 | C01 | C02 | C03 | 6.2° | 5.3° |
| H10 | C06 | C01 | N14 | 10.2° | 1.3° |
| H10 | C06 | C01 | C02 | 176.9° | 177.8° |
| C01 | N14 | C13 | C33 | 176.5° | 178.4° |
| C01 | N14 | C13 | C18 | 175.4° | 165.5° |
| C01 | N14 | C13 | C12 | 21.3° | 14.4° |
| N14 | C01 | C02 | C11 | 18.3° | 5.8° |
| N14 | C01 | C02 | C03 | 172.7° | 175.6° |
| C01 | N14 | C33 | H41 | 18.8° | 85.0° |
| C01 | N14 | C33 | H42 | 136.5° | 155.0° |
| C01 | N14 | C33 | H43 | 106.6° | 35.0° |
| C02 | C01 | N14 | C13 | 24.4° | 10.1° |
| C02 | C01 | N14 | C33 | 152.0° | 171.5° |
| C01 | C02 | C11 | NP5 | 172.7° | 158.0° |
| C01 | C02 | C11 | C03 | 168.2° | 178.6° |
| C01 | C02 | C11 | C12 | 7.8° | 16.4° |
| C01 | C02 | C03 | C04 | 11.5° | 4.7° |
| C01 | C02 | C03 | H07 | 160.7° | 172.0° |
| N14 | C13 | C18 | C12 | 163.6° | 179.9° |
| N14 | C13 | C18 | C17 | 168.3° | 178.6° |
| N14 | C13 | C18 | H26 | 12.6° | 2.2° |
| N14 | C13 | C12 | C15 | 173.7° | 177.1° |
| N14 | C13 | C12 | C11 | 11.1° | 2.7° |
| C13 | N14 | C33 | H41 | 157.5° | 93.5° |
| C13 | N14 | C33 | H42 | 39.8° | 26.6° |
| C13 | N14 | C33 | H43 | 77.1° | 146.5° |
| C33 | N14 | C13 | C18 | 8.1° | 12.9° |
| C33 | N14 | C13 | C12 | 155.1° | 167.2° |
| N14 | C33 | H41 | H42 | 121.6° | 120.0° |
| N14 | C33 | H41 | H43 | 128.7° | 120.0° |
| N14 | C33 | H42 | H43 | 123.1° | 120.0° |
| C13 | C18 | C17 | H26 | 179.2° | 179.2° |
| C13 | C18 | C17 | C16 | 2.5° | 0.3° |
| C13 | C18 | C17 | C27 | 172.5° | 179.9° |
| C18 | C13 | C12 | C15 | 10.7° | 3.0° |
| C18 | C13 | C12 | C11 | 174.1° | 177.3° |
| C12 | C13 | C18 | C17 | 4.7° | 1.5° |
| C12 | C13 | C18 | H26 | 176.2° | 177.7° |
| C13 | C12 | C15 | C16 | 9.3° | 2.8° |
| C13 | C12 | C15 | C19 | 169.1° | 176.8° |
| C13 | C12 | C15 | C11 | 175.2° | 179.7° |
| C13 | C12 | C11 | NP5 | 169.0° | 162.5° |
| C13 | C12 | C11 | C02 | 4.0° | 12.3° |
| C18 | C17 | C16 | C27 | 169.5° | 179.8° |
| C18 | C17 | C16 | C15 | 3.9° | 0.6° |
| C18 | C17 | C16 | H28 | 170.6° | 179.4° |
| C18 | C17 | C27 | H38 | 141.3° | 90.1° |
| C18 | C17 | C27 | H39 | 12.4° | 150.0° |
| C18 | C17 | C27 | H40 | 102.5° | 29.9° |
| H26 | C18 | C17 | C16 | 176.8° | 179.5° |
| H26 | C18 | C17 | C27 | 6.8° | 0.7° |
| C17 | C16 | C15 | H28 | 173.7° | 180.0° |
| C17 | C16 | C15 | C19 | 176.5° | 178.6° |
| C17 | C16 | C15 | C12 | 1.8° | 1.0° |
| C16 | C17 | C27 | H38 | 48.6° | 90.1° |
| C16 | C17 | C27 | H39 | 177.5° | 29.8° |
| C16 | C17 | C27 | H40 | 67.6° | 149.9° |
| C27 | C17 | C16 | C15 | 173.4° | 179.6° |
| C27 | C17 | C16 | H28 | 1.1° | 0.4° |
| C17 | C27 | H38 | H39 | 116.2° | 119.9° |
| C17 | C27 | H38 | H40 | 116.1° | 120.0° |
| C17 | C27 | H39 | H40 | 113.5° | 120.0° |
| C16 | C15 | C19 | C12 | 178.3° | 179.6° |
| C16 | C15 | C19 | C20 | 2.8° | 4.2° |
| C16 | C15 | C19 | C24 | 176.5° | 175.2° |
| C16 | C15 | C12 | C11 | 175.5° | 177.5° |
| H28 | C16 | C15 | C19 | 2.8° | 1.4° |
| H28 | C16 | C15 | C12 | 175.6° | 179.0° |
| C15 | C19 | C20 | C24 | 179.3° | 179.4° |
| C15 | C19 | C20 | C21 | 172.3° | 179.7° |
| C15 | C19 | C20 | H29 | 2.7° | 0.4° |
| C15 | C19 | C24 | C23 | 175.5° | 178.9° |
| C15 | C19 | C24 | NP5 | 17.7° | 1.9° |
| C19 | C15 | C12 | C11 | 6.2° | 2.9° |
| C12 | C15 | C19 | C20 | 175.5° | 176.2° |
| C12 | C15 | C19 | C24 | 5.2° | 4.4° |
| C15 | C12 | C11 | NP5 | 15.7° | 17.2° |
| C15 | C12 | C11 | C02 | 179.4° | 168.0° |
| C19 | C20 | C21 | H29 | 170.2° | 179.9° |
| C19 | C20 | C21 | F30 | 172.5° | 179.9° |
| C19 | C20 | C21 | C22 | 11.1° | 0.1° |
| C20 | C19 | C24 | C23 | 3.8° | 1.7° |
| C20 | C19 | C24 | NP5 | 161.7° | 177.4° |
| C24 | C19 | C20 | C21 | 7.0° | 0.9° |
| C24 | C19 | C20 | H29 | 176.6° | 179.0° |
| C19 | C24 | C23 | C22 | 4.4° | 1.4° |
| C19 | C24 | C23 | NP5 | 159.0° | 179.1° |
| C19 | C24 | C23 | H32 | 173.3° | 177.5° |
| C19 | C24 | NP5 | C11 | 37.8° | 17.8° |
| C19 | C24 | NP5 | C34 | 121.7° | 155.3° |
| C20 | C21 | F30 | C22 | 176.5° | 179.9° |
| C20 | C21 | C22 | C23 | 11.1° | 0.5° |
| C20 | C21 | C22 | H31 | 176.0° | 179.3° |
| H29 | C20 | C21 | F30 | 2.3° | 0.0° |
| H29 | C20 | C21 | C22 | 178.7° | 179.9° |
| F30 | C21 | C22 | C23 | 172.6° | 179.6° |
| F30 | C21 | C22 | H31 | 0.4° | 0.6° |
| C21 | C22 | C23 | H31 | 172.6° | 179.8° |
| C21 | C22 | C23 | C24 | 7.7° | 0.3° |
| C21 | C22 | C23 | H32 | 175.3° | 178.6° |
| C22 | C23 | C24 | H32 | 168.9° | 178.9° |
| C22 | C23 | C24 | NP5 | 163.4° | 177.7° |
| H31 | C22 | C23 | C24 | 179.8° | 179.9° |
| H31 | C22 | C23 | H32 | 12.1° | 1.2° |
| C23 | C24 | NP5 | C11 | 162.6° | 163.1° |
| C23 | C24 | NP5 | C34 | 38.0° | 23.8° |
| H32 | C23 | C24 | NP5 | 27.7° | 3.4° |
| C24 | NP5 | C11 | C34 | 156.9° | 173.0° |
| C24 | NP5 | C11 | C02 | 158.6° | 160.6° |
| C24 | NP5 | C11 | C12 | 36.6° | 25.1° |
| C24 | NP5 | C34 | H35 | 164.1° | 89.9° |
| C24 | NP5 | C34 | H36 | 73.6° | 150.0° |
| C24 | NP5 | C34 | H37 | 55.3° | 30.0° |
| NP5 | C11 | C02 | C12 | 164.9° | 174.3° |
| NP5 | C11 | C02 | C03 | 19.1° | 20.6° |
| C11 | NP5 | C34 | H35 | 7.8° | 96.6° |
| C11 | NP5 | C34 | H36 | 130.2° | 23.4° |
| C11 | NP5 | C34 | H37 | 101.0° | 143.4° |
| C34 | NP5 | C11 | C02 | 44.5° | 26.4° |
| C34 | NP5 | C11 | C12 | 120.3° | 147.8° |
| NP5 | C34 | H35 | H36 | 126.9° | 120.1° |
| NP5 | C34 | H35 | H37 | 116.2° | 119.9° |
| NP5 | C34 | H36 | H37 | 129.9° | 120.0° |
| C11 | C02 | C03 | C04 | 179.7° | 173.9° |
| C11 | C02 | C03 | H07 | 8.1° | 9.4° |
| C12 | C11 | C02 | C03 | 176.0° | 165.1° |
| C02 | C03 | C04 | H07 | 172.3° | 176.8° |
| C02 | C03 | C04 | F08 | 170.2° | 178.2° |
| H07 | C03 | C04 | F08 | 2.2° | 5.0° |
| H35 | C34 | H36 | H37 | 112.1° | 120.0° |
| H38 | C27 | H39 | H40 | 127.1° | 120.0° |
| H41 | C33 | H42 | H43 | 112.5° | 120.0° |
