FHP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.56Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | PA | sing | 1.82Å | 1.81Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | doub | 1.31Å | 1.35Å | |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C3 | C15 | sing | 1.51Å | 1.50Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.51Å | 1.55Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | C7 | doub | 1.31Å | 1.35Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C7 | C8 | sing | 1.51Å | 1.51Å | |
C7 | C14 | sing | 1.51Å | 1.49Å | |
C8 | C9 | sing | 1.53Å | 1.52Å | |
C8 | H81 | sing | 1.09Å | 1.12Å | |
C8 | H82 | sing | 1.09Å | 1.12Å | |
C9 | C10 | sing | 1.51Å | 1.54Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.12Å | |
C10 | C11 | doub | 1.31Å | 1.34Å | |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | C12 | sing | 1.51Å | 1.51Å | |
C11 | C13 | sing | 1.51Å | 1.49Å | |
C12 | H121 | sing | 1.09Å | 1.11Å | |
C12 | H122 | sing | 1.09Å | 1.11Å | |
C12 | H123 | sing | 1.09Å | 1.11Å | |
C13 | H131 | sing | 1.09Å | 1.11Å | |
C13 | H132 | sing | 1.09Å | 1.12Å | |
C13 | H133 | sing | 1.09Å | 1.12Å | |
C14 | H141 | sing | 1.09Å | 1.11Å | |
C14 | H142 | sing | 1.09Å | 1.12Å | |
C14 | H143 | sing | 1.09Å | 1.12Å | |
C15 | H151 | sing | 1.09Å | 1.12Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C15 | H153 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O1A | PA | doub | 1.48Å | 1.49Å | |
O2A | PA | sing | 1.61Å | 1.48Å | |
O2A | HOA2 | sing | 0.97Å | 0.95Å | |
O3A | PA | sing | 1.61Å | 1.49Å | |
O3A | HOA3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 113.7° | 109.5° |
C2 | C1 | PA | 114.9° | 109.5° |
C2 | C1 | H1 | 103.7° | 109.5° |
C1 | C2 | C3 | 120.6° | 120.0° |
C1 | C2 | H2 | 126.9° | 120.0° |
O1 | C1 | PA | 113.3° | 109.4° |
O1 | C1 | H1 | 105.7° | 109.5° |
C1 | O1 | HO1 | 113.6° | 106.8° |
PA | C1 | H1 | 104.2° | 109.5° |
C1 | PA | O1A | 112.1° | 109.5° |
C1 | PA | O2A | 96.4° | 109.5° |
C1 | PA | O3A | 99.1° | 109.4° |
C3 | C2 | H2 | 112.5° | 120.0° |
C2 | C3 | C4 | 119.8° | 120.0° |
C2 | C3 | C15 | 119.5° | 120.0° |
C4 | C3 | C15 | 119.5° | 120.0° |
C3 | C4 | C5 | 120.7° | 109.5° |
C3 | C4 | H41 | 108.2° | 109.5° |
C3 | C4 | H42 | 108.2° | 109.4° |
C3 | C15 | H151 | 119.5° | 109.5° |
C3 | C15 | H152 | 108.6° | 109.5° |
C3 | C15 | H153 | 108.6° | 109.5° |
C5 | C4 | H41 | 108.2° | 109.5° |
C5 | C4 | H42 | 108.2° | 109.5° |
C4 | C5 | C6 | 116.3° | 109.5° |
C4 | C5 | H51 | 109.7° | 109.5° |
C4 | C5 | H52 | 109.7° | 109.5° |
H41 | C4 | H42 | 101.7° | 109.5° |
C6 | C5 | H51 | 109.8° | 109.4° |
C6 | C5 | H52 | 109.8° | 109.4° |
C5 | C6 | C7 | 121.9° | 120.0° |
C5 | C6 | H6 | 126.3° | 120.0° |
H51 | C5 | H52 | 100.4° | 109.5° |
C7 | C6 | H6 | 111.7° | 120.0° |
C6 | C7 | C8 | 119.4° | 120.0° |
C6 | C7 | C14 | 119.1° | 120.0° |
C8 | C7 | C14 | 119.2° | 120.1° |
C7 | C8 | C9 | 112.5° | 109.5° |
C7 | C8 | H81 | 111.1° | 109.5° |
C7 | C8 | H82 | 111.1° | 109.4° |
C7 | C14 | H141 | 119.1° | 109.5° |
C7 | C14 | H142 | 108.8° | 109.5° |
C7 | C14 | H143 | 108.8° | 109.5° |
C9 | C8 | H81 | 111.1° | 109.5° |
C9 | C8 | H82 | 111.1° | 109.4° |
C8 | C9 | C10 | 112.9° | 109.5° |
C8 | C9 | H91 | 110.9° | 109.5° |
C8 | C9 | H92 | 110.9° | 109.4° |
H81 | C8 | H82 | 99.2° | 109.5° |
C10 | C9 | H91 | 111.0° | 109.5° |
C10 | C9 | H92 | 111.0° | 109.5° |
C9 | C10 | C11 | 120.0° | 120.0° |
C9 | C10 | H10 | 126.8° | 120.0° |
H91 | C9 | H92 | 99.4° | 109.5° |
C11 | C10 | H10 | 113.1° | 120.0° |
C10 | C11 | C12 | 119.1° | 120.0° |
C10 | C11 | C13 | 120.1° | 120.0° |
C12 | C11 | C13 | 119.9° | 120.0° |
C11 | C12 | H121 | 119.1° | 109.5° |
C11 | C12 | H122 | 108.7° | 109.5° |
C11 | C12 | H123 | 108.8° | 109.5° |
C11 | C13 | H131 | 120.1° | 109.4° |
C11 | C13 | H132 | 108.4° | 109.5° |
C11 | C13 | H133 | 108.4° | 109.5° |
H121 | C12 | H122 | 108.7° | 109.5° |
H121 | C12 | H123 | 108.8° | 109.5° |
H122 | C12 | H123 | 101.3° | 109.4° |
H131 | C13 | H132 | 108.5° | 109.4° |
H131 | C13 | H133 | 108.4° | 109.5° |
H132 | C13 | H133 | 101.5° | 109.5° |
H141 | C14 | H142 | 108.7° | 109.5° |
H141 | C14 | H143 | 108.7° | 109.4° |
H142 | C14 | H143 | 101.3° | 109.5° |
H151 | C15 | H152 | 108.5° | 109.5° |
H151 | C15 | H153 | 108.6° | 109.4° |
H152 | C15 | H153 | 101.4° | 109.5° |
O1A | PA | O2A | 114.9° | 109.5° |
O1A | PA | O3A | 115.5° | 109.4° |
PA | O2A | HOA2 | 96.4° | 106.8° |
O2A | PA | O3A | 115.8° | 109.5° |
PA | O3A | HOA3 | 99.1° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | PA | 133.5° | 120.0° |
C2 | C1 | O1 | H1 | 113.0° | 120.0° |
C2 | C1 | PA | H1 | 112.7° | 120.0° |
C1 | C2 | C3 | H2 | 179.9° | 179.9° |
C1 | C2 | C3 | C4 | 167.3° | 172.3° |
C1 | C2 | C3 | C15 | 0.3° | 7.6° |
C2 | C1 | O1 | HO1 | 180.0° | 60.0° |
C2 | C1 | PA | O1A | 24.7° | 59.9° |
C2 | C1 | PA | O2A | 144.8° | 180.0° |
C2 | C1 | PA | O3A | 97.7° | 60.0° |
O1 | C1 | PA | H1 | 114.4° | 120.0° |
O1 | C1 | C2 | C3 | 95.4° | 112.6° |
O1 | C1 | C2 | H2 | 84.6° | 67.3° |
O1 | C1 | PA | O1A | 108.2° | 60.0° |
O1 | C1 | PA | O2A | 11.9° | 60.0° |
O1 | C1 | PA | O3A | 129.4° | 179.9° |
PA | C1 | C2 | C3 | 131.9° | 127.5° |
PA | C1 | C2 | H2 | 48.1° | 52.6° |
PA | C1 | O1 | HO1 | 46.5° | 60.0° |
C1 | PA | O1A | O2A | 108.7° | 120.0° |
C1 | PA | O1A | O3A | 112.5° | 119.9° |
C1 | PA | O2A | O3A | 103.4° | 120.0° |
C1 | PA | O2A | HOA2 | 180.0° | 179.9° |
C1 | PA | O3A | HOA3 | 179.9° | 60.0° |
H1 | C1 | C2 | C3 | 18.9° | 7.4° |
H1 | C1 | C2 | H2 | 161.1° | 172.7° |
H1 | C1 | O1 | HO1 | 67.0° | 180.0° |
H1 | C1 | PA | O1A | 137.4° | 180.0° |
H1 | C1 | PA | O2A | 102.5° | 60.0° |
H1 | C1 | PA | O3A | 15.0° | 60.1° |
C2 | C3 | C4 | C15 | 167.6° | 179.9° |
C2 | C3 | C4 | C5 | 82.1° | 90.0° |
C2 | C3 | C4 | H41 | 43.2° | 30.1° |
C2 | C3 | C4 | H42 | 152.6° | 150.1° |
C2 | C3 | C15 | H151 | 180.0° | 5.8° |
C2 | C3 | C15 | H152 | 54.8° | 125.8° |
C2 | C3 | C15 | H153 | 54.7° | 114.2° |
H2 | C2 | C3 | C4 | 12.6° | 7.8° |
H2 | C2 | C3 | C15 | 179.8° | 172.3° |
C3 | C4 | C5 | H41 | 125.3° | 120.0° |
C3 | C4 | C5 | H42 | 125.3° | 119.9° |
C3 | C4 | H41 | H42 | 113.8° | 120.0° |
C3 | C4 | C5 | C6 | 38.7° | 180.0° |
C3 | C4 | C5 | H51 | 86.5° | 60.0° |
C3 | C4 | C5 | H52 | 164.0° | 60.1° |
C4 | C3 | C15 | H151 | 12.4° | 174.3° |
C4 | C3 | C15 | H152 | 112.9° | 54.3° |
C4 | C3 | C15 | H153 | 137.6° | 65.7° |
C15 | C3 | C4 | C5 | 110.3° | 90.0° |
C15 | C3 | C4 | H41 | 124.4° | 150.0° |
C15 | C3 | C4 | H42 | 15.0° | 30.0° |
C3 | C15 | H151 | H152 | 125.2° | 120.0° |
C3 | C15 | H151 | H153 | 125.3° | 120.0° |
C3 | C15 | H152 | H153 | 114.3° | 120.0° |
C5 | C4 | H41 | H42 | 113.8° | 120.0° |
C4 | C5 | C6 | H51 | 125.2° | 120.0° |
C4 | C5 | C6 | H52 | 125.2° | 120.0° |
C4 | C5 | H51 | H52 | 115.5° | 120.0° |
C4 | C5 | C6 | C7 | 61.5° | 125.1° |
C4 | C5 | C6 | H6 | 118.6° | 54.8° |
H41 | C4 | C5 | C6 | 164.0° | 60.0° |
H41 | C4 | C5 | H51 | 38.7° | 180.0° |
H41 | C4 | C5 | H52 | 70.7° | 59.9° |
H42 | C4 | C5 | C6 | 86.6° | 60.0° |
H42 | C4 | C5 | H51 | 148.2° | 59.9° |
H42 | C4 | C5 | H52 | 38.7° | 180.0° |
C6 | C5 | H51 | H52 | 115.6° | 120.0° |
C5 | C6 | C7 | H6 | 180.0° | 179.9° |
C5 | C6 | C7 | C8 | 179.7° | 174.7° |
C5 | C6 | C7 | C14 | 17.7° | 5.3° |
H51 | C5 | C6 | C7 | 173.3° | 114.9° |
H51 | C5 | C6 | H6 | 6.7° | 65.2° |
H52 | C5 | C6 | C7 | 63.8° | 5.1° |
H52 | C5 | C6 | H6 | 116.2° | 174.8° |
C6 | C7 | C8 | C14 | 162.6° | 180.0° |
C6 | C7 | C8 | C9 | 68.3° | 90.1° |
C6 | C7 | C8 | H81 | 57.0° | 30.0° |
C6 | C7 | C8 | H82 | 166.4° | 150.0° |
C6 | C7 | C14 | H141 | 180.0° | 54.9° |
C6 | C7 | C14 | H142 | 54.7° | 174.9° |
C6 | C7 | C14 | H143 | 54.7° | 65.0° |
H6 | C6 | C7 | C8 | 0.4° | 5.2° |
H6 | C6 | C7 | C14 | 162.3° | 174.7° |
C7 | C8 | C9 | H81 | 125.3° | 120.0° |
C7 | C8 | C9 | H82 | 125.2° | 119.9° |
C7 | C8 | H81 | H82 | 116.9° | 120.0° |
C7 | C8 | C9 | C10 | 63.7° | 180.0° |
C7 | C8 | C9 | H91 | 171.0° | 59.9° |
C7 | C8 | C9 | H92 | 61.6° | 60.0° |
C8 | C7 | C14 | H141 | 17.3° | 125.0° |
C8 | C7 | C14 | H142 | 107.9° | 5.0° |
C8 | C7 | C14 | H143 | 142.6° | 115.0° |
C14 | C7 | C8 | C9 | 129.1° | 90.0° |
C14 | C7 | C8 | H81 | 105.6° | 150.0° |
C14 | C7 | C8 | H82 | 3.8° | 30.0° |
C7 | C14 | H141 | H142 | 125.3° | 120.0° |
C7 | C14 | H141 | H143 | 125.3° | 120.0° |
C7 | C14 | H142 | H143 | 114.5° | 120.1° |
C9 | C8 | H81 | H82 | 117.0° | 120.0° |
C8 | C9 | C10 | H91 | 125.2° | 120.1° |
C8 | C9 | C10 | H92 | 125.2° | 119.9° |
C8 | C9 | H91 | H92 | 116.8° | 119.9° |
C8 | C9 | C10 | C11 | 139.0° | 125.2° |
C8 | C9 | C10 | H10 | 41.0° | 54.9° |
H81 | C8 | C9 | C10 | 61.6° | 60.0° |
H81 | C8 | C9 | H91 | 63.7° | 180.0° |
H81 | C8 | C9 | H92 | 173.2° | 60.0° |
H82 | C8 | C9 | C10 | 171.1° | 60.1° |
H82 | C8 | C9 | H91 | 45.8° | 60.0° |
H82 | C8 | C9 | H92 | 63.7° | 179.9° |
C10 | C9 | H91 | H92 | 116.9° | 120.0° |
C9 | C10 | C11 | H10 | 180.0° | 179.9° |
C9 | C10 | C11 | C12 | 179.8° | 174.8° |
C9 | C10 | C11 | C13 | 11.2° | 5.2° |
H91 | C9 | C10 | C11 | 95.8° | 114.7° |
H91 | C9 | C10 | H10 | 84.2° | 65.2° |
H92 | C9 | C10 | C11 | 13.7° | 5.3° |
H92 | C9 | C10 | H10 | 166.2° | 174.8° |
C10 | C11 | C12 | C13 | 169.0° | 179.9° |
C10 | C11 | C12 | H121 | 179.9° | 179.9° |
C10 | C11 | C12 | H122 | 54.8° | 60.0° |
C10 | C11 | C12 | H123 | 54.7° | 59.9° |
C10 | C11 | C13 | H131 | 179.9° | 55.0° |
C10 | C11 | C13 | H132 | 54.7° | 175.0° |
C10 | C11 | C13 | H133 | 54.7° | 64.9° |
H10 | C10 | C11 | C12 | 0.2° | 5.3° |
H10 | C10 | C11 | C13 | 168.8° | 174.8° |
C11 | C12 | H121 | H122 | 125.2° | 120.0° |
C11 | C12 | H121 | H123 | 125.3° | 120.0° |
C11 | C12 | H122 | H123 | 114.5° | 120.0° |
C12 | C11 | C13 | H131 | 11.2° | 125.0° |
C12 | C11 | C13 | H132 | 114.2° | 5.1° |
C12 | C11 | C13 | H133 | 136.4° | 115.0° |
C13 | C11 | C12 | H121 | 11.1° | 0.0° |
C13 | C11 | C12 | H122 | 136.2° | 120.0° |
C13 | C11 | C12 | H123 | 114.3° | 120.0° |
C11 | C13 | H131 | H132 | 125.3° | 120.0° |
C11 | C13 | H131 | H133 | 125.2° | 120.0° |
C11 | C13 | H132 | H133 | 114.0° | 120.1° |
H121 | C12 | H122 | H123 | 114.5° | 120.0° |
H131 | C13 | H132 | H133 | 114.0° | 120.0° |
H141 | C14 | H142 | H143 | 114.4° | 119.9° |
H151 | C15 | H152 | H153 | 114.3° | 120.0° |
O1A | PA | O2A | O3A | 138.6° | 120.0° |
O1A | PA | O2A | HOA2 | 62.0° | 60.1° |
O1A | PA | O3A | HOA3 | 60.0° | 180.0° |
O2A | PA | O3A | HOA3 | 78.4° | 60.0° |
HOA2 | O2A | PA | O3A | 76.7° | 59.9° |