FH5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C02 | sing | 1.74Å | 1.74Å | |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | N04 | doub | 1.32Å | 1.35Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.38Å | Aromatic |
| C05 | N06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| N06 | C07 | sing | 1.37Å | 1.36Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.48Å | |
| C07 | N15 | doub | 1.31Å | 1.36Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C09 | N10 | sing | 1.35Å | 1.32Å | Aromatic |
| N10 | C11 | sing | 1.46Å | 1.40Å | |
| N10 | N12 | sing | 1.40Å | 1.37Å | Aromatic |
| N12 | C13 | doub | 1.31Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| N15 | C16 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C17 | N18 | sing | 1.39Å | 1.44Å | |
| N18 | C19 | sing | 1.48Å | 1.47Å | |
| N18 | C26 | sing | 1.48Å | 1.45Å | |
| C19 | C20 | sing | 1.54Å | 1.50Å | |
| C20 | N21 | sing | 1.47Å | 1.43Å | |
| C20 | C25 | sing | 1.55Å | 1.45Å | |
| N21 | C22 | sing | 1.35Å | 1.45Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | O24 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.55Å | 1.47Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| N06 | H06 | sing | 0.97Å | 1.00Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C02 | C03 | 118.7° | 120.3° |
| CL | C02 | C17 | 121.7° | 120.3° |
| C03 | C02 | C17 | 119.7° | 119.4° |
| C02 | C03 | N04 | 120.6° | 121.4° |
| C02 | C03 | H03 | 119.7° | 119.3° |
| C02 | C17 | C16 | 118.0° | 118.0° |
| C02 | C17 | N18 | 123.5° | 121.0° |
| C03 | N04 | C05 | 121.3° | 121.8° |
| N04 | C03 | H03 | 119.7° | 119.3° |
| N04 | C05 | N06 | 131.9° | 133.5° |
| N04 | C05 | C16 | 120.6° | 120.4° |
| N06 | C05 | C16 | 107.4° | 106.0° |
| C05 | N06 | C07 | 108.3° | 107.3° |
| C05 | N06 | H06 | 125.9° | 126.3° |
| C05 | C16 | N15 | 107.4° | 107.5° |
| C05 | C16 | C17 | 119.9° | 118.9° |
| N06 | C07 | C08 | 128.6° | 125.1° |
| N06 | C07 | N15 | 108.1° | 109.7° |
| C07 | N06 | H06 | 125.9° | 126.4° |
| C08 | C07 | N15 | 123.3° | 125.1° |
| C07 | C08 | C09 | 124.1° | 126.4° |
| C07 | C08 | C13 | 128.8° | 126.4° |
| C07 | N15 | C16 | 108.9° | 109.4° |
| C09 | C08 | C13 | 107.0° | 107.2° |
| C08 | C09 | N10 | 107.7° | 107.4° |
| C08 | C09 | H09 | 126.2° | 126.3° |
| C08 | C13 | N12 | 107.3° | 108.1° |
| C08 | C13 | C14 | 127.5° | 126.0° |
| C09 | N10 | C11 | 124.7° | 125.8° |
| C09 | N10 | N12 | 110.6° | 108.4° |
| N10 | C09 | H09 | 126.1° | 126.3° |
| C11 | N10 | N12 | 124.7° | 125.8° |
| N10 | C11 | H111 | 109.5° | 109.5° |
| N10 | C11 | H112 | 109.5° | 109.4° |
| N10 | C11 | H113 | 109.5° | 109.5° |
| N10 | N12 | C13 | 107.4° | 108.8° |
| N12 | C13 | C14 | 125.2° | 125.9° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| N15 | C16 | C17 | 132.8° | 133.6° |
| C16 | C17 | N18 | 118.5° | 121.0° |
| C17 | N18 | C19 | 119.3° | 111.0° |
| C17 | N18 | C26 | 130.0° | 111.0° |
| C19 | N18 | C26 | 109.1° | 105.8° |
| N18 | C19 | C20 | 102.6° | 107.1° |
| N18 | C19 | H191 | 111.1° | 109.9° |
| N18 | C19 | H192 | 111.2° | 109.9° |
| N18 | C26 | C25 | 105.8° | 103.2° |
| N18 | C26 | H261 | 110.4° | 110.7° |
| N18 | C26 | H262 | 110.4° | 110.7° |
| C19 | C20 | N21 | 113.5° | 110.3° |
| C19 | C20 | C25 | 104.5° | 105.1° |
| C20 | C19 | H191 | 111.1° | 109.9° |
| C20 | C19 | H192 | 111.1° | 109.9° |
| C19 | C20 | H20 | 108.9° | 110.3° |
| N21 | C20 | C25 | 110.0° | 110.3° |
| C20 | N21 | C22 | 117.9° | 119.9° |
| N21 | C20 | H20 | 110.0° | 110.3° |
| C20 | N21 | H21 | 121.1° | 120.0° |
| C20 | C25 | C26 | 104.5° | 102.9° |
| C25 | C20 | H20 | 109.7° | 110.4° |
| C20 | C25 | H251 | 110.7° | 110.8° |
| C20 | C25 | H252 | 110.7° | 110.8° |
| N21 | C22 | C23 | 120.5° | 120.0° |
| N21 | C22 | O24 | 120.0° | 120.0° |
| C22 | N21 | H21 | 121.0° | 120.0° |
| C23 | C22 | O24 | 119.6° | 120.0° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.4° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.4° |
| C25 | C26 | H261 | 110.4° | 110.7° |
| C25 | C26 | H262 | 110.4° | 110.7° |
| C26 | C25 | H251 | 110.7° | 110.7° |
| C26 | C25 | H252 | 110.7° | 110.7° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 110.1° |
| H261 | C26 | H262 | 109.5° | 110.7° |
| H251 | C25 | H252 | 109.5° | 110.8° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C02 | C03 | C17 | 179.9° | 179.7° |
| CL | C02 | C03 | N04 | 179.8° | 180.0° |
| CL | C02 | C17 | C16 | 179.7° | 179.7° |
| CL | C02 | C17 | N18 | 1.0° | 0.0° |
| CL | C02 | C03 | H03 | 0.2° | 0.0° |
| C02 | C03 | N04 | H03 | 180.0° | 179.9° |
| C02 | C03 | N04 | C05 | 0.4° | 0.0° |
| C03 | C02 | C17 | C16 | 0.4° | 0.6° |
| C03 | C02 | C17 | N18 | 179.1° | 179.7° |
| C17 | C02 | C03 | N04 | 0.1° | 0.3° |
| C02 | C17 | C16 | C05 | 0.6° | 0.5° |
| C02 | C17 | C16 | N15 | 179.8° | 179.7° |
| C02 | C17 | C16 | N18 | 178.8° | 179.7° |
| C02 | C17 | N18 | C19 | 72.3° | 60.0° |
| C02 | C17 | N18 | C26 | 91.7° | 57.4° |
| C17 | C02 | C03 | H03 | 179.9° | 179.7° |
| C03 | N04 | C05 | N06 | 179.9° | 179.9° |
| C03 | N04 | C05 | C16 | 0.2° | 0.0° |
| N04 | C05 | N06 | C16 | 180.0° | 180.0° |
| N04 | C05 | N06 | C07 | 179.9° | 179.9° |
| N04 | C05 | C16 | N15 | 179.9° | 180.0° |
| N04 | C05 | C16 | C17 | 0.3° | 0.2° |
| C05 | N04 | C03 | H03 | 179.6° | 180.0° |
| N04 | C05 | N06 | H06 | 0.0° | 0.0° |
| C05 | N06 | C07 | H06 | 180.0° | 179.9° |
| C05 | N06 | C07 | C08 | 180.0° | 180.0° |
| C05 | N06 | C07 | N15 | 0.1° | 0.0° |
| N06 | C05 | C16 | N15 | 0.1° | 0.0° |
| N06 | C05 | C16 | C17 | 179.7° | 179.8° |
| C16 | C05 | N06 | C07 | 0.1° | 0.0° |
| C05 | C16 | N15 | C07 | 0.0° | 0.0° |
| C05 | C16 | N15 | C17 | 179.7° | 179.8° |
| C05 | C16 | C17 | N18 | 179.3° | 179.8° |
| C16 | C05 | N06 | H06 | 179.9° | 179.9° |
| N06 | C07 | C08 | N15 | 179.9° | 180.0° |
| N06 | C07 | C08 | C09 | 179.8° | 0.1° |
| N06 | C07 | C08 | C13 | 0.1° | 179.7° |
| N06 | C07 | N15 | C16 | 0.0° | 0.0° |
| C07 | C08 | C09 | C13 | 180.0° | 179.7° |
| C07 | C08 | C09 | N10 | 180.0° | 180.0° |
| C07 | C08 | C13 | N12 | 180.0° | 179.9° |
| C07 | C08 | C13 | C14 | 0.1° | 0.0° |
| C08 | C07 | N15 | C16 | 179.9° | 180.0° |
| C08 | C07 | N06 | H06 | 0.1° | 0.1° |
| C07 | C08 | C09 | H09 | 0.0° | 0.1° |
| N15 | C07 | C08 | C09 | 0.0° | 179.9° |
| N15 | C07 | C08 | C13 | 180.0° | 0.3° |
| C07 | N15 | C16 | C17 | 179.7° | 179.8° |
| N15 | C07 | N06 | H06 | 180.0° | 179.9° |
| C08 | C09 | N10 | H09 | 180.0° | 179.9° |
| C08 | C09 | N10 | C11 | 180.0° | 179.9° |
| C08 | C09 | N10 | N12 | 0.1° | 0.1° |
| C09 | C08 | C13 | N12 | 0.0° | 0.5° |
| C09 | C08 | C13 | C14 | 179.9° | 179.7° |
| C13 | C08 | C09 | N10 | 0.0° | 0.3° |
| C08 | C13 | N12 | N10 | 0.0° | 0.4° |
| C08 | C13 | N12 | C14 | 179.9° | 179.8° |
| C13 | C08 | C09 | H09 | 179.9° | 179.7° |
| C08 | C13 | C14 | H141 | 179.8° | 90.0° |
| C08 | C13 | C14 | H142 | 59.8° | 150.0° |
| C08 | C13 | C14 | H143 | 60.2° | 30.0° |
| C09 | N10 | C11 | N12 | 179.9° | 179.8° |
| C09 | N10 | N12 | C13 | 0.1° | 0.2° |
| C09 | N10 | C11 | H111 | 179.9° | 89.9° |
| C09 | N10 | C11 | H112 | 60.1° | 150.0° |
| C09 | N10 | C11 | H113 | 59.9° | 30.1° |
| C11 | N10 | N12 | C13 | 180.0° | 179.6° |
| C11 | N10 | C09 | H09 | 0.0° | 0.1° |
| N10 | C11 | H111 | H112 | 120.0° | 120.0° |
| N10 | C11 | H111 | H113 | 120.0° | 120.0° |
| N10 | C11 | H112 | H113 | 120.0° | 120.0° |
| N10 | N12 | C13 | C14 | 179.9° | 179.8° |
| N12 | N10 | C09 | H09 | 179.9° | 180.0° |
| N12 | N10 | C11 | H111 | 0.0° | 89.9° |
| N12 | N10 | C11 | H112 | 120.0° | 30.1° |
| N12 | N10 | C11 | H113 | 120.0° | 150.1° |
| N12 | C13 | C14 | H141 | 0.0° | 89.8° |
| N12 | C13 | C14 | H142 | 120.0° | 30.2° |
| N12 | C13 | C14 | H143 | 120.0° | 150.2° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| N15 | C16 | C17 | N18 | 1.0° | 0.0° |
| C16 | C17 | N18 | C19 | 109.0° | 119.7° |
| C16 | C17 | N18 | C26 | 87.0° | 122.9° |
| C17 | N18 | C19 | C26 | 167.1° | 120.5° |
| C17 | N18 | C19 | C20 | 151.0° | 145.8° |
| C17 | N18 | C26 | C25 | 171.4° | 159.7° |
| C17 | N18 | C19 | H191 | 32.1° | 26.5° |
| C17 | N18 | C19 | H192 | 90.1° | 94.8° |
| C17 | N18 | C26 | H261 | 69.2° | 81.9° |
| C17 | N18 | C26 | H262 | 51.9° | 41.3° |
| N18 | C19 | C20 | H191 | 118.9° | 119.4° |
| N18 | C19 | C20 | H192 | 118.9° | 119.4° |
| N18 | C19 | C20 | N21 | 152.5° | 117.7° |
| N18 | C19 | C20 | C25 | 32.7° | 1.2° |
| C19 | N18 | C26 | C25 | 6.1° | 39.2° |
| N18 | C19 | H191 | H192 | 123.2° | 121.2° |
| C19 | N18 | C26 | H261 | 125.6° | 157.6° |
| C19 | N18 | C26 | H262 | 113.3° | 79.2° |
| N18 | C19 | C20 | H20 | 84.6° | 120.2° |
| C26 | N18 | C19 | C20 | 16.1° | 25.3° |
| N18 | C26 | C25 | C20 | 26.9° | 37.4° |
| N18 | C26 | C25 | H261 | 119.4° | 118.4° |
| N18 | C26 | C25 | H262 | 119.4° | 118.5° |
| C26 | N18 | C19 | H191 | 134.9° | 94.0° |
| C26 | N18 | C19 | H192 | 102.8° | 144.7° |
| N18 | C26 | H261 | H262 | 121.7° | 123.1° |
| N18 | C26 | C25 | H251 | 146.1° | 155.8° |
| N18 | C26 | C25 | H252 | 92.3° | 80.9° |
| C19 | C20 | N21 | C25 | 116.7° | 115.6° |
| C19 | C20 | N21 | H20 | 122.3° | 122.1° |
| C19 | C20 | C25 | H20 | 116.7° | 119.0° |
| C19 | C20 | N21 | C22 | 155.3° | 155.0° |
| C19 | C20 | C25 | C26 | 37.1° | 22.0° |
| C20 | C19 | H191 | H192 | 123.2° | 121.1° |
| C19 | C20 | N21 | H21 | 24.7° | 24.9° |
| C19 | C20 | C25 | H251 | 156.3° | 140.3° |
| C19 | C20 | C25 | H252 | 82.1° | 96.3° |
| N21 | C20 | C25 | H20 | 121.1° | 122.1° |
| C20 | N21 | C22 | H21 | 180.0° | 179.9° |
| C20 | N21 | C22 | C23 | 179.9° | 180.0° |
| C20 | N21 | C22 | O24 | 0.0° | 0.1° |
| N21 | C20 | C25 | C26 | 159.3° | 140.8° |
| N21 | C20 | C19 | H191 | 88.6° | 123.0° |
| N21 | C20 | C19 | H192 | 33.6° | 1.7° |
| N21 | C20 | C25 | H251 | 81.5° | 100.9° |
| N21 | C20 | C25 | H252 | 40.1° | 22.5° |
| C25 | C20 | N21 | C22 | 88.0° | 89.3° |
| C20 | C25 | C26 | H251 | 119.2° | 118.4° |
| C20 | C25 | C26 | H252 | 119.2° | 118.4° |
| C25 | C20 | C19 | H191 | 151.5° | 118.2° |
| C25 | C20 | C19 | H192 | 86.2° | 120.6° |
| C20 | C25 | C26 | H261 | 146.4° | 155.9° |
| C20 | C25 | C26 | H262 | 92.5° | 81.0° |
| C25 | C20 | N21 | H21 | 92.0° | 90.8° |
| C20 | C25 | H251 | H252 | 122.3° | 123.3° |
| N21 | C22 | C23 | O24 | 179.9° | 179.9° |
| C22 | N21 | C20 | H20 | 32.9° | 32.9° |
| N21 | C22 | C23 | H231 | 179.9° | 0.1° |
| N21 | C22 | C23 | H232 | 60.1° | 120.0° |
| N21 | C22 | C23 | H233 | 59.9° | 120.0° |
| C23 | C22 | N21 | H21 | 0.1° | 0.1° |
| C22 | C23 | H231 | H232 | 120.0° | 120.1° |
| C22 | C23 | H231 | H233 | 120.0° | 119.9° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| O24 | C22 | N21 | H21 | 180.0° | 180.0° |
| O24 | C22 | C23 | H231 | 0.0° | 180.0° |
| O24 | C22 | C23 | H232 | 120.0° | 59.9° |
| O24 | C22 | C23 | H233 | 120.0° | 60.1° |
| C25 | C26 | H261 | H262 | 121.7° | 123.1° |
| C26 | C25 | C20 | H20 | 79.6° | 97.0° |
| C26 | C25 | H251 | H252 | 122.3° | 123.2° |
| H111 | C11 | H112 | H113 | 119.9° | 120.0° |
| H141 | C14 | H142 | H143 | 119.9° | 120.0° |
| H191 | C19 | C20 | H20 | 34.3° | 0.9° |
| H192 | C19 | C20 | H20 | 156.5° | 120.4° |
| H261 | C26 | C25 | H251 | 94.5° | 85.8° |
| H261 | C26 | C25 | H252 | 27.2° | 37.5° |
| H262 | C26 | C25 | H251 | 26.7° | 37.3° |
| H262 | C26 | C25 | H252 | 148.3° | 160.6° |
| H20 | C20 | N21 | H21 | 147.1° | 147.0° |
| H20 | C20 | C25 | H251 | 39.6° | 21.3° |
| H20 | C20 | C25 | H252 | 161.2° | 144.7° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
