5GX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C02 | sing | 1.74Å | 1.68Å | |
| C02 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | C29 | doub | 1.38Å | 1.46Å | Aromatic |
| C03 | C04 | sing | 1.48Å | 1.52Å | |
| C03 | C16 | doub | 1.41Å | 1.45Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.41Å | Aromatic |
| C04 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C05 | N06 | sing | 1.35Å | 1.37Å | Aromatic |
| N06 | C07 | sing | 1.46Å | 1.49Å | |
| N06 | N14 | sing | 1.40Å | 1.42Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| N14 | C15 | doub | 1.31Å | 1.43Å | Aromatic |
| C16 | N17 | sing | 1.35Å | 1.45Å | Aromatic |
| C16 | C27 | sing | 1.40Å | 1.44Å | Aromatic |
| N17 | C18 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.48Å | |
| C18 | N26 | sing | 1.37Å | 1.46Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | N21 | sing | 1.35Å | 1.29Å | Aromatic |
| N21 | C22 | sing | 1.46Å | 1.43Å | |
| N21 | N23 | sing | 1.40Å | 1.47Å | Aromatic |
| N23 | C24 | doub | 1.31Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.47Å | |
| N26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | N28 | doub | 1.32Å | 1.34Å | Aromatic |
| N28 | C29 | sing | 1.32Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C02 | C03 | 119.9° | 120.3° |
| CL | C02 | C29 | 119.0° | 120.3° |
| C03 | C02 | C29 | 121.0° | 119.4° |
| C02 | C03 | C04 | 125.9° | 121.0° |
| C02 | C03 | C16 | 118.3° | 117.9° |
| C02 | C29 | N28 | 119.4° | 121.5° |
| C02 | C29 | H29 | 120.3° | 119.2° |
| C04 | C03 | C16 | 115.2° | 121.1° |
| C03 | C04 | C05 | 121.6° | 126.3° |
| C03 | C04 | C15 | 130.0° | 126.3° |
| C03 | C16 | N17 | 131.3° | 133.6° |
| C03 | C16 | C27 | 118.2° | 118.9° |
| C05 | C04 | C15 | 107.7° | 107.5° |
| C04 | C05 | N06 | 108.7° | 107.6° |
| C04 | C05 | H05 | 125.7° | 126.2° |
| C04 | C15 | N14 | 107.4° | 108.1° |
| C04 | C15 | H15 | 126.3° | 125.9° |
| C05 | N06 | C07 | 120.6° | 125.9° |
| C05 | N06 | N14 | 109.2° | 108.2° |
| N06 | C05 | H05 | 125.7° | 126.1° |
| C07 | N06 | N14 | 130.2° | 125.9° |
| N06 | C07 | C08 | 112.3° | 109.5° |
| N06 | C07 | H071 | 108.8° | 109.5° |
| N06 | C07 | H072 | 108.8° | 109.5° |
| N06 | N14 | C15 | 106.7° | 108.6° |
| C07 | C08 | C09 | 116.2° | 120.0° |
| C07 | C08 | C13 | 121.8° | 120.0° |
| C08 | C07 | H071 | 108.7° | 109.4° |
| C08 | C07 | H072 | 108.7° | 109.4° |
| C09 | C08 | C13 | 122.0° | 120.0° |
| C08 | C09 | C10 | 119.4° | 120.0° |
| C08 | C09 | H09 | 120.3° | 120.0° |
| C08 | C13 | C12 | 118.6° | 120.0° |
| C08 | C13 | H13 | 120.7° | 120.0° |
| C09 | C10 | C11 | 120.1° | 120.0° |
| C10 | C09 | H09 | 120.3° | 120.0° |
| C09 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C11 | C12 | C13 | 120.1° | 119.9° |
| C12 | C11 | H11 | 120.1° | 119.9° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.7° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| N14 | C15 | H15 | 126.3° | 126.0° |
| N17 | C16 | C27 | 110.5° | 107.5° |
| C16 | N17 | C18 | 104.6° | 109.5° |
| C16 | C27 | N26 | 105.3° | 106.1° |
| C16 | C27 | N28 | 122.9° | 120.4° |
| N17 | C18 | C19 | 125.9° | 125.2° |
| N17 | C18 | N26 | 111.7° | 109.7° |
| C19 | C18 | N26 | 122.4° | 125.1° |
| C18 | C19 | C20 | 119.0° | 126.4° |
| C18 | C19 | C24 | 130.6° | 126.3° |
| C18 | N26 | C27 | 107.8° | 107.3° |
| C18 | N26 | H26 | 126.1° | 126.4° |
| C20 | C19 | C24 | 110.4° | 107.3° |
| C19 | C20 | N21 | 105.6° | 107.4° |
| C19 | C20 | H20 | 127.2° | 126.3° |
| C19 | C24 | N23 | 106.3° | 108.0° |
| C19 | C24 | C25 | 127.0° | 126.0° |
| C20 | N21 | C22 | 122.7° | 125.8° |
| C20 | N21 | N23 | 110.9° | 108.3° |
| N21 | C20 | H20 | 127.2° | 126.2° |
| C22 | N21 | N23 | 126.4° | 125.8° |
| N21 | C22 | H221 | 109.5° | 109.4° |
| N21 | C22 | H222 | 109.5° | 109.5° |
| N21 | C22 | H223 | 109.5° | 109.5° |
| N21 | N23 | C24 | 106.8° | 108.9° |
| N23 | C24 | C25 | 126.7° | 126.0° |
| C24 | C25 | H251 | 109.5° | 109.4° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| N26 | C27 | N28 | 131.9° | 133.5° |
| C27 | N26 | H26 | 126.1° | 126.4° |
| C27 | N28 | C29 | 120.1° | 121.9° |
| N28 | C29 | H29 | 120.3° | 119.3° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C02 | C03 | C29 | 177.9° | 179.7° |
| CL | C02 | C03 | C04 | 7.3° | 0.0° |
| CL | C02 | C03 | C16 | 178.8° | 180.0° |
| CL | C02 | C29 | N28 | 179.2° | 179.7° |
| CL | C02 | C29 | H29 | 0.8° | 0.0° |
| C02 | C03 | C04 | C16 | 171.7° | 180.0° |
| C02 | C03 | C04 | C05 | 21.1° | 65.0° |
| C02 | C03 | C04 | C15 | 169.9° | 115.4° |
| C02 | C03 | C16 | N17 | 178.9° | 180.0° |
| C02 | C03 | C16 | C27 | 3.3° | 0.0° |
| C03 | C02 | C29 | N28 | 1.4° | 0.6° |
| C03 | C02 | C29 | H29 | 178.7° | 179.8° |
| C29 | C02 | C03 | C04 | 174.8° | 179.7° |
| C29 | C02 | C03 | C16 | 3.4° | 0.2° |
| C02 | C29 | N28 | C27 | 0.8° | 0.6° |
| C02 | C29 | N28 | H29 | 180.0° | 179.7° |
| C03 | C04 | C05 | C15 | 171.2° | 179.7° |
| C03 | C04 | C05 | N06 | 175.9° | 180.0° |
| C03 | C04 | C15 | N14 | 174.2° | 179.9° |
| C04 | C03 | C16 | N17 | 6.5° | 0.0° |
| C04 | C03 | C16 | C27 | 175.6° | 180.0° |
| C03 | C04 | C05 | H05 | 4.1° | 0.1° |
| C03 | C04 | C15 | H15 | 5.8° | 0.0° |
| C16 | C03 | C04 | C05 | 150.6° | 114.9° |
| C16 | C03 | C04 | C15 | 18.4° | 64.7° |
| C03 | C16 | N17 | C27 | 178.0° | 180.0° |
| C03 | C16 | N17 | C18 | 178.5° | 180.0° |
| C03 | C16 | C27 | N26 | 178.5° | 180.0° |
| C03 | C16 | C27 | N28 | 1.2° | 0.0° |
| C04 | C05 | N06 | H05 | 180.0° | 180.0° |
| C04 | C05 | N06 | C07 | 178.2° | 180.0° |
| C04 | C05 | N06 | N14 | 3.6° | 0.0° |
| C05 | C04 | C15 | N14 | 4.0° | 0.5° |
| C05 | C04 | C15 | H15 | 176.0° | 179.7° |
| C15 | C04 | C05 | N06 | 4.7° | 0.3° |
| C04 | C15 | N14 | N06 | 1.9° | 0.5° |
| C04 | C15 | N14 | H15 | 180.0° | 179.8° |
| C15 | C04 | C05 | H05 | 175.3° | 179.7° |
| C05 | N06 | C07 | N14 | 177.8° | 180.0° |
| C05 | N06 | C07 | C08 | 115.9° | 125.0° |
| C05 | N06 | N14 | C15 | 1.1° | 0.3° |
| C05 | N06 | C07 | H071 | 123.7° | 115.0° |
| C05 | N06 | C07 | H072 | 4.6° | 5.0° |
| N06 | C07 | C08 | H071 | 120.4° | 120.0° |
| N06 | C07 | C08 | H072 | 120.5° | 120.0° |
| N06 | C07 | C08 | C09 | 30.7° | 90.0° |
| N06 | C07 | C08 | C13 | 151.5° | 90.2° |
| C07 | N06 | N14 | C15 | 179.0° | 179.7° |
| C07 | N06 | C05 | H05 | 1.8° | 0.0° |
| N06 | C07 | H071 | H072 | 118.7° | 120.1° |
| N14 | N06 | C07 | C08 | 66.3° | 55.0° |
| N14 | N06 | C05 | H05 | 176.4° | 180.0° |
| N06 | N14 | C15 | H15 | 178.2° | 179.7° |
| N14 | N06 | C07 | H071 | 54.1° | 65.0° |
| N14 | N06 | C07 | H072 | 173.2° | 175.0° |
| C07 | C08 | C09 | C13 | 177.8° | 179.8° |
| C07 | C08 | C09 | C10 | 178.2° | 180.0° |
| C07 | C08 | C13 | C12 | 178.0° | 179.8° |
| C08 | C07 | H071 | H072 | 118.7° | 119.9° |
| C07 | C08 | C09 | H09 | 1.8° | 0.0° |
| C07 | C08 | C13 | H13 | 2.0° | 0.0° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C08 | C13 | C12 | 0.4° | 0.5° |
| C09 | C08 | C07 | H071 | 89.8° | 30.0° |
| C09 | C08 | C07 | H072 | 151.1° | 150.0° |
| C09 | C08 | C13 | H13 | 179.6° | 179.7° |
| C08 | C09 | C10 | H10 | 179.9° | 180.0° |
| C13 | C08 | C09 | C10 | 0.4° | 0.3° |
| C08 | C13 | C12 | C11 | 0.2° | 0.4° |
| C08 | C13 | C12 | H13 | 180.0° | 179.8° |
| C13 | C08 | C07 | H071 | 88.0° | 149.7° |
| C13 | C08 | C07 | H072 | 31.1° | 29.8° |
| C13 | C08 | C09 | H09 | 179.6° | 179.7° |
| C08 | C13 | C12 | H12 | 179.8° | 179.8° |
| C09 | C10 | C11 | H10 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.6° | 0.0° |
| C09 | C10 | C11 | H11 | 179.4° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.7° | 0.2° |
| C11 | C10 | C09 | H09 | 179.9° | 180.0° |
| C10 | C11 | C12 | H12 | 179.3° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | H13 | 179.8° | 179.8° |
| C12 | C11 | C10 | H10 | 179.4° | 180.0° |
| C13 | C12 | C11 | H11 | 179.3° | 179.8° |
| C16 | N17 | C18 | C19 | 179.6° | 180.0° |
| C16 | N17 | C18 | N26 | 0.6° | 0.0° |
| N17 | C16 | C27 | N26 | 0.2° | 0.0° |
| N17 | C16 | C27 | N28 | 179.5° | 180.0° |
| C27 | C16 | N17 | C18 | 0.5° | 0.0° |
| C16 | C27 | N26 | C18 | 0.2° | 0.0° |
| C16 | C27 | N26 | N28 | 179.6° | 180.0° |
| C16 | C27 | N28 | C29 | 0.9° | 0.4° |
| C16 | C27 | N26 | H26 | 179.9° | 180.0° |
| N17 | C18 | C19 | N26 | 178.9° | 180.0° |
| N17 | C18 | C19 | C20 | 175.7° | 180.0° |
| N17 | C18 | C19 | C24 | 4.1° | 0.4° |
| N17 | C18 | N26 | C27 | 0.5° | 0.0° |
| N17 | C18 | N26 | H26 | 179.5° | 180.0° |
| C18 | C19 | C20 | C24 | 179.8° | 179.7° |
| C18 | C19 | C20 | N21 | 179.9° | 179.9° |
| C18 | C19 | C24 | N23 | 179.7° | 179.9° |
| C18 | C19 | C24 | C25 | 0.7° | 0.0° |
| C19 | C18 | N26 | C27 | 179.6° | 180.0° |
| C19 | C18 | N26 | H26 | 0.5° | 0.0° |
| C18 | C19 | C20 | H20 | 0.1° | 0.1° |
| N26 | C18 | C19 | C20 | 3.2° | 0.1° |
| N26 | C18 | C19 | C24 | 177.0° | 179.7° |
| C18 | N26 | C27 | H26 | 180.0° | 180.0° |
| C18 | N26 | C27 | N28 | 179.8° | 180.0° |
| C19 | C20 | N21 | H20 | 180.0° | 180.0° |
| C19 | C20 | N21 | C22 | 179.8° | 180.0° |
| C19 | C20 | N21 | N23 | 0.2° | 0.0° |
| C20 | C19 | C24 | N23 | 0.1° | 0.4° |
| C20 | C19 | C24 | C25 | 179.5° | 179.7° |
| C24 | C19 | C20 | N21 | 0.1° | 0.3° |
| C19 | C24 | N23 | N21 | 0.2° | 0.4° |
| C19 | C24 | N23 | C25 | 179.6° | 179.9° |
| C24 | C19 | C20 | H20 | 179.9° | 179.8° |
| C19 | C24 | C25 | H251 | 179.5° | 90.0° |
| C19 | C24 | C25 | H252 | 59.5° | 150.0° |
| C19 | C24 | C25 | H253 | 60.5° | 30.0° |
| C20 | N21 | C22 | N23 | 179.5° | 179.9° |
| C20 | N21 | N23 | C24 | 0.3° | 0.3° |
| C20 | N21 | C22 | H221 | 179.5° | 90.0° |
| C20 | N21 | C22 | H222 | 59.5° | 150.0° |
| C20 | N21 | C22 | H223 | 60.4° | 30.0° |
| C22 | N21 | N23 | C24 | 179.9° | 179.8° |
| C22 | N21 | C20 | H20 | 0.2° | 0.0° |
| N21 | C22 | H221 | H222 | 120.0° | 120.0° |
| N21 | C22 | H221 | H223 | 120.0° | 120.0° |
| N21 | C22 | H222 | H223 | 120.0° | 120.0° |
| N21 | N23 | C24 | C25 | 179.4° | 179.7° |
| N23 | N21 | C20 | H20 | 179.8° | 180.0° |
| N23 | N21 | C22 | H221 | 0.0° | 90.0° |
| N23 | N21 | C22 | H222 | 120.0° | 30.0° |
| N23 | N21 | C22 | H223 | 120.0° | 150.0° |
| N23 | C24 | C25 | H251 | 0.0° | 89.8° |
| N23 | C24 | C25 | H252 | 120.0° | 30.2° |
| N23 | C24 | C25 | H253 | 120.0° | 150.1° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| N26 | C27 | N28 | C29 | 179.6° | 179.7° |
| C27 | N28 | C29 | H29 | 179.1° | 179.7° |
| N28 | C27 | N26 | H26 | 0.2° | 0.0° |
| H09 | C09 | C10 | H10 | 0.1° | 0.0° |
| H13 | C13 | C12 | H12 | 0.2° | 0.0° |
| H10 | C10 | C11 | H11 | 0.6° | 0.1° |
| H11 | C11 | C12 | H12 | 0.7° | 0.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.1° |
