FH3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C02 | sing | 1.74Å | 1.76Å | |
| C02 | C03 | sing | 1.38Å | 1.42Å | Aromatic |
| C02 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| C03 | N04 | doub | 1.32Å | 1.36Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.38Å | Aromatic |
| C05 | N06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| N06 | C07 | sing | 1.37Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.55Å | |
| C07 | N15 | doub | 1.31Å | 1.36Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C13 | sing | 1.41Å | 1.37Å | Aromatic |
| C09 | N10 | sing | 1.35Å | 1.32Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| N10 | N12 | sing | 1.40Å | 1.34Å | Aromatic |
| N12 | C13 | doub | 1.31Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| N15 | C16 | sing | 1.36Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.45Å | Aromatic |
| C17 | N18 | sing | 1.39Å | 1.46Å | |
| N18 | C19 | sing | 1.49Å | 1.43Å | |
| N18 | C27 | sing | 1.48Å | 1.47Å | |
| C19 | C20 | sing | 1.55Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.48Å | |
| C20 | C26 | sing | 1.55Å | 1.44Å | |
| C21 | N22 | sing | 1.47Å | 1.45Å | |
| N22 | C23 | sing | 1.35Å | 1.50Å | |
| C23 | C24 | sing | 1.51Å | 1.47Å | |
| C23 | O25 | doub | 1.21Å | 1.17Å | |
| C26 | C27 | sing | 1.54Å | 1.48Å | |
| 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 | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C02 | C03 | 118.1° | 120.3° |
| CL | C02 | C17 | 121.5° | 120.3° |
| C03 | C02 | C17 | 120.4° | 119.4° |
| C02 | C03 | N04 | 120.2° | 121.4° |
| C02 | C03 | H03 | 119.9° | 119.3° |
| C02 | C17 | C16 | 117.4° | 118.0° |
| C02 | C17 | N18 | 120.4° | 121.0° |
| C03 | N04 | C05 | 121.5° | 121.8° |
| N04 | C03 | H03 | 119.9° | 119.3° |
| N04 | C05 | N06 | 131.2° | 133.5° |
| N04 | C05 | C16 | 120.8° | 120.4° |
| N06 | C05 | C16 | 108.0° | 106.0° |
| C05 | N06 | C07 | 108.3° | 107.4° |
| C05 | N06 | H06 | 125.8° | 126.3° |
| C05 | C16 | N15 | 106.1° | 107.5° |
| C05 | C16 | C17 | 119.7° | 118.9° |
| N06 | C07 | C08 | 129.0° | 125.2° |
| N06 | C07 | N15 | 107.6° | 109.7° |
| C07 | N06 | H06 | 125.9° | 126.3° |
| C08 | C07 | N15 | 123.4° | 125.1° |
| C07 | C08 | C09 | 124.3° | 126.3° |
| C07 | C08 | C13 | 128.4° | 126.4° |
| C07 | N15 | C16 | 110.0° | 109.5° |
| C09 | C08 | C13 | 107.3° | 107.3° |
| C08 | C09 | N10 | 107.5° | 107.4° |
| C08 | C09 | H09 | 126.2° | 126.3° |
| C08 | C13 | N12 | 107.4° | 108.1° |
| C08 | C13 | C14 | 127.4° | 125.9° |
| C09 | N10 | C11 | 125.0° | 125.8° |
| C09 | N10 | N12 | 110.2° | 108.4° |
| N10 | C09 | H09 | 126.3° | 126.3° |
| C11 | N10 | N12 | 124.8° | 125.8° |
| N10 | C11 | H111 | 109.5° | 109.5° |
| N10 | C11 | H112 | 109.5° | 109.5° |
| N10 | C11 | H113 | 109.5° | 109.5° |
| N10 | N12 | C13 | 107.6° | 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° | 109.4° |
| N15 | C16 | C17 | 134.2° | 133.6° |
| C16 | C17 | N18 | 122.3° | 121.0° |
| C17 | N18 | C19 | 139.1° | 111.0° |
| C17 | N18 | C27 | 112.4° | 111.0° |
| C19 | N18 | C27 | 106.8° | 105.8° |
| N18 | C19 | C20 | 106.8° | 103.3° |
| N18 | C19 | H191 | 110.1° | 110.6° |
| N18 | C19 | H192 | 110.2° | 110.7° |
| N18 | C27 | C26 | 105.2° | 107.1° |
| N18 | C27 | H271 | 110.6° | 109.9° |
| N18 | C27 | H272 | 110.5° | 109.9° |
| C19 | C20 | C21 | 110.0° | 110.7° |
| C19 | C20 | C26 | 105.1° | 102.9° |
| C20 | C19 | H191 | 110.1° | 110.7° |
| C20 | C19 | H192 | 110.1° | 110.7° |
| C19 | C20 | H20 | 110.8° | 110.7° |
| C21 | C20 | C26 | 108.9° | 110.7° |
| C20 | C21 | N22 | 118.7° | 109.5° |
| C21 | C20 | H20 | 110.7° | 110.6° |
| C20 | C21 | H211 | 107.1° | 109.5° |
| C20 | C21 | H212 | 107.1° | 109.5° |
| C20 | C26 | C27 | 103.3° | 105.1° |
| C26 | C20 | H20 | 111.2° | 110.9° |
| C20 | C26 | H261 | 111.0° | 110.3° |
| C20 | C26 | H262 | 111.0° | 110.3° |
| C21 | N22 | C23 | 120.7° | 120.0° |
| N22 | C21 | H211 | 107.1° | 109.4° |
| N22 | C21 | H212 | 107.1° | 109.5° |
| C21 | N22 | H22 | 119.6° | 120.0° |
| N22 | C23 | C24 | 119.6° | 120.0° |
| N22 | C23 | O25 | 120.2° | 120.0° |
| C23 | N22 | H22 | 119.6° | 120.0° |
| C24 | C23 | O25 | 120.2° | 120.0° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C26 | C27 | H271 | 110.5° | 109.9° |
| C26 | C27 | H272 | 110.5° | 109.9° |
| C27 | C26 | H261 | 111.0° | 110.3° |
| C27 | C26 | H262 | 111.0° | 110.3° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 110.7° |
| H271 | C27 | H272 | 109.5° | 110.0° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 110.3° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C02 | C03 | C17 | 180.0° | 179.8° |
| CL | C02 | C03 | N04 | 179.9° | 180.0° |
| CL | C02 | C17 | C16 | 179.8° | 179.7° |
| CL | C02 | C17 | N18 | 1.0° | 0.0° |
| CL | C02 | C03 | H03 | 0.1° | 0.0° |
| C02 | C03 | N04 | H03 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 0.3° | 0.1° |
| C03 | C02 | C17 | C16 | 0.2° | 0.5° |
| C03 | C02 | C17 | N18 | 179.0° | 179.8° |
| C17 | C02 | C03 | N04 | 0.1° | 0.2° |
| C02 | C17 | C16 | C05 | 0.2° | 0.5° |
| C02 | C17 | C16 | N15 | 179.5° | 179.8° |
| C02 | C17 | C16 | N18 | 178.8° | 179.7° |
| C02 | C17 | N18 | C19 | 56.6° | 60.0° |
| C02 | C17 | N18 | C27 | 140.8° | 57.4° |
| C17 | C02 | C03 | H03 | 179.9° | 179.8° |
| C03 | N04 | C05 | N06 | 179.9° | 180.0° |
| C03 | N04 | C05 | C16 | 0.3° | 0.1° |
| N04 | C05 | N06 | C16 | 179.8° | 180.0° |
| N04 | C05 | N06 | C07 | 179.9° | 180.0° |
| N04 | C05 | C16 | N15 | 179.8° | 180.0° |
| N04 | C05 | C16 | C17 | 0.1° | 0.2° |
| C05 | N04 | C03 | H03 | 179.7° | 179.9° |
| N04 | C05 | N06 | H06 | 0.1° | 0.1° |
| C05 | N06 | C07 | H06 | 180.0° | 179.9° |
| C05 | N06 | C07 | C08 | 179.8° | 180.0° |
| C05 | N06 | C07 | N15 | 0.2° | 0.0° |
| N06 | C05 | C16 | N15 | 0.3° | 0.0° |
| N06 | C05 | C16 | C17 | 179.9° | 179.7° |
| C16 | C05 | N06 | C07 | 0.1° | 0.0° |
| C05 | C16 | N15 | C07 | 0.5° | 0.0° |
| C05 | C16 | N15 | C17 | 179.7° | 179.7° |
| C05 | C16 | C17 | N18 | 179.0° | 179.8° |
| C16 | C05 | N06 | H06 | 179.9° | 180.0° |
| N06 | C07 | C08 | N15 | 180.0° | 180.0° |
| N06 | C07 | C08 | C09 | 174.3° | 0.1° |
| N06 | C07 | C08 | C13 | 5.0° | 179.7° |
| N06 | C07 | N15 | C16 | 0.4° | 0.0° |
| C07 | C08 | C09 | C13 | 179.4° | 179.7° |
| C07 | C08 | C09 | N10 | 179.7° | 180.0° |
| C07 | C08 | C13 | N12 | 179.7° | 179.9° |
| C07 | C08 | C13 | C14 | 0.5° | 0.0° |
| C08 | C07 | N15 | C16 | 179.6° | 180.0° |
| C08 | C07 | N06 | H06 | 0.2° | 0.0° |
| C07 | C08 | C09 | H09 | 0.3° | 0.1° |
| N15 | C07 | C08 | C09 | 5.8° | 179.9° |
| N15 | C07 | C08 | C13 | 175.0° | 0.3° |
| C07 | N15 | C16 | C17 | 179.8° | 179.7° |
| N15 | C07 | N06 | H06 | 179.8° | 180.0° |
| C08 | C09 | N10 | H09 | 180.0° | 179.9° |
| C08 | C09 | N10 | C11 | 179.9° | 180.0° |
| C08 | C09 | N10 | N12 | 0.2° | 0.1° |
| C09 | C08 | C13 | N12 | 0.3° | 0.5° |
| C09 | C08 | C13 | C14 | 179.9° | 179.7° |
| C13 | C08 | C09 | N10 | 0.3° | 0.3° |
| C08 | C13 | N12 | N10 | 0.2° | 0.4° |
| C08 | C13 | N12 | C14 | 179.8° | 179.9° |
| C13 | C08 | C09 | H09 | 179.7° | 179.8° |
| C08 | C13 | C14 | H141 | 179.8° | 90.0° |
| C08 | C13 | C14 | H142 | 60.2° | 150.0° |
| C08 | C13 | C14 | H143 | 59.8° | 30.0° |
| C09 | N10 | C11 | N12 | 179.9° | 179.9° |
| C09 | N10 | N12 | C13 | 0.0° | 0.2° |
| C09 | N10 | C11 | H111 | 180.0° | 89.9° |
| C09 | N10 | C11 | H112 | 60.0° | 150.1° |
| C09 | N10 | C11 | H113 | 59.9° | 30.0° |
| C11 | N10 | N12 | C13 | 179.9° | 179.7° |
| C11 | N10 | C09 | H09 | 0.1° | 0.2° |
| 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 | 180.0° | 179.7° |
| N12 | N10 | C09 | H09 | 179.8° | 179.9° |
| 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° | 89.9° |
| N12 | C13 | C14 | H142 | 120.0° | 30.1° |
| 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 | 0.7° | 0.1° |
| C16 | C17 | N18 | C19 | 122.2° | 119.7° |
| C16 | C17 | N18 | C27 | 40.4° | 122.9° |
| C17 | N18 | C19 | C27 | 163.2° | 120.5° |
| C17 | N18 | C19 | C20 | 156.6° | 159.7° |
| C17 | N18 | C27 | C26 | 176.3° | 145.9° |
| C17 | N18 | C19 | H191 | 37.0° | 41.3° |
| C17 | N18 | C19 | H192 | 83.8° | 81.8° |
| C17 | N18 | C27 | H271 | 57.0° | 94.8° |
| C17 | N18 | C27 | H272 | 64.4° | 26.5° |
| N18 | C19 | C20 | H191 | 119.6° | 118.4° |
| N18 | C19 | C20 | H192 | 119.6° | 118.5° |
| N18 | C19 | C20 | C21 | 90.1° | 155.8° |
| N18 | C19 | C20 | C26 | 26.9° | 37.4° |
| C19 | N18 | C27 | C26 | 15.5° | 25.3° |
| N18 | C19 | H191 | H192 | 121.2° | 123.0° |
| C19 | N18 | C27 | H271 | 134.9° | 144.7° |
| C19 | N18 | C27 | H272 | 103.7° | 94.1° |
| N18 | C19 | C20 | H20 | 147.2° | 81.2° |
| C27 | N18 | C19 | C20 | 6.6° | 39.2° |
| N18 | C27 | C26 | C20 | 31.9° | 1.2° |
| N18 | C27 | C26 | H271 | 119.4° | 119.4° |
| N18 | C27 | C26 | H272 | 119.3° | 119.4° |
| C27 | N18 | C19 | H191 | 126.2° | 79.3° |
| C27 | N18 | C19 | H192 | 113.0° | 157.7° |
| N18 | C27 | H271 | H272 | 122.0° | 121.2° |
| N18 | C27 | C26 | H261 | 150.8° | 120.1° |
| N18 | C27 | C26 | H262 | 87.1° | 117.7° |
| C19 | C20 | C21 | C26 | 114.6° | 113.5° |
| C19 | C20 | C21 | H20 | 122.8° | 123.1° |
| C19 | C20 | C26 | H20 | 120.0° | 118.4° |
| C19 | C20 | C21 | N22 | 157.2° | 175.0° |
| C19 | C20 | C26 | C27 | 36.0° | 21.9° |
| C20 | C19 | H191 | H192 | 121.2° | 123.1° |
| C19 | C20 | C21 | H211 | 81.5° | 65.0° |
| C19 | C20 | C21 | H212 | 35.9° | 55.0° |
| C19 | C20 | C26 | H261 | 154.9° | 97.0° |
| C19 | C20 | C26 | H262 | 83.0° | 140.9° |
| C21 | C20 | C26 | H20 | 122.2° | 123.2° |
| C20 | C21 | N22 | H211 | 121.3° | 120.0° |
| C20 | C21 | N22 | H212 | 121.3° | 120.0° |
| C20 | C21 | N22 | C23 | 95.8° | 180.0° |
| C21 | C20 | C26 | C27 | 81.8° | 140.3° |
| C21 | C20 | C19 | H191 | 29.5° | 37.4° |
| C21 | C20 | C19 | H192 | 150.3° | 85.8° |
| C20 | C21 | H211 | H212 | 115.8° | 120.0° |
| C21 | C20 | C26 | H261 | 37.2° | 21.4° |
| C21 | C20 | C26 | H262 | 159.2° | 100.8° |
| C20 | C21 | N22 | H22 | 84.2° | 0.0° |
| C26 | C20 | C21 | N22 | 88.2° | 71.5° |
| C20 | C26 | C27 | H261 | 119.0° | 118.9° |
| C20 | C26 | C27 | H262 | 119.0° | 118.9° |
| C26 | C20 | C19 | H191 | 146.5° | 81.0° |
| C26 | C20 | C19 | H192 | 92.7° | 155.9° |
| C20 | C26 | C27 | H271 | 151.2° | 120.6° |
| C20 | C26 | C27 | H272 | 87.5° | 118.2° |
| C26 | C20 | C21 | H211 | 33.1° | 48.5° |
| C26 | C20 | C21 | H212 | 150.5° | 168.5° |
| C20 | C26 | H261 | H262 | 122.9° | 122.1° |
| C21 | N22 | C23 | H22 | 180.0° | 179.9° |
| C21 | N22 | C23 | C24 | 179.9° | 180.0° |
| C21 | N22 | C23 | O25 | 0.2° | 0.1° |
| N22 | C21 | C20 | H20 | 34.4° | 51.9° |
| N22 | C21 | H211 | H212 | 115.8° | 120.0° |
| N22 | C23 | C24 | O25 | 179.8° | 179.9° |
| C23 | N22 | C21 | H211 | 25.5° | 60.0° |
| C23 | N22 | C21 | H212 | 142.9° | 59.9° |
| N22 | C23 | C24 | H241 | 179.8° | 0.0° |
| N22 | C23 | C24 | H242 | 60.2° | 120.0° |
| N22 | C23 | C24 | H243 | 59.8° | 120.1° |
| C24 | C23 | N22 | H22 | 0.0° | 0.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| O25 | C23 | N22 | H22 | 179.8° | 180.0° |
| O25 | C23 | C24 | H241 | 0.0° | 180.0° |
| O25 | C23 | C24 | H242 | 120.0° | 60.0° |
| O25 | C23 | C24 | H243 | 120.0° | 60.0° |
| C26 | C27 | H271 | H272 | 121.9° | 121.2° |
| C27 | C26 | C20 | H20 | 156.0° | 96.5° |
| C27 | C26 | H261 | H262 | 122.9° | 122.1° |
| H111 | C11 | H112 | H113 | 120.0° | 119.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H191 | C19 | C20 | H20 | 93.2° | 160.4° |
| H192 | C19 | C20 | H20 | 27.6° | 37.3° |
| H271 | C27 | C26 | H261 | 89.8° | 120.5° |
| H271 | C27 | C26 | H262 | 32.2° | 1.7° |
| H272 | C27 | C26 | H261 | 31.5° | 0.7° |
| H272 | C27 | C26 | H262 | 153.6° | 122.9° |
| H20 | C20 | C21 | H211 | 155.7° | 171.9° |
| H20 | C20 | C21 | H212 | 87.0° | 68.1° |
| H20 | C20 | C26 | H261 | 85.0° | 144.6° |
| H20 | C20 | C26 | H262 | 37.0° | 22.4° |
| H211 | C21 | N22 | H22 | 154.4° | 120.1° |
| H212 | C21 | N22 | H22 | 37.1° | 120.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
