L7H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | O14 | sing | 1.43Å | 1.42Å | |
O14 | C2 | sing | 1.36Å | 1.37Å | |
C19 | O18 | sing | 1.44Å | 1.40Å | |
C19 | C20 | sing | 1.55Å | 1.50Å | |
C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
C1 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
O18 | C17 | sing | 1.44Å | 1.41Å | |
O11 | C3 | sing | 1.36Å | 1.38Å | |
O11 | C16 | sing | 1.43Å | 1.47Å | |
C3 | C4 | doub | 1.37Å | 1.36Å | Aromatic |
C20 | C16 | sing | 1.55Å | 1.52Å | |
C5 | N10 | doub | 1.34Å | 1.37Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
N10 | C9 | sing | 1.31Å | 1.35Å | Aromatic |
C17 | C16 | sing | 1.54Å | 1.52Å | |
C4 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
C6 | C7 | doub | 1.41Å | 1.44Å | Aromatic |
C9 | C13 | sing | 1.51Å | 1.49Å | |
C9 | N8 | doub | 1.32Å | 1.34Å | Aromatic |
F30 | C29 | sing | 1.40Å | 1.32Å | |
F31 | C29 | sing | 1.40Å | 1.34Å | |
C7 | N8 | sing | 1.33Å | 1.33Å | Aromatic |
C7 | N12 | sing | 1.38Å | 1.35Å | |
C29 | C27 | sing | 1.51Å | 1.49Å | |
C29 | F32 | sing | 1.40Å | 1.32Å | |
C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
N33 | C25 | sing | 1.40Å | 1.38Å | |
C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
N12 | C21 | sing | 1.46Å | 1.47Å | |
C28 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C21 | sing | 1.51Å | 1.52Å | |
C21 | C23 | sing | 1.53Å | 1.53Å | |
C4 | H35 | sing | 1.08Å | 1.08Å | |
N12 | H36 | sing | 0.97Å | 1.00Å | |
C13 | H39 | sing | 1.09Å | 1.10Å | |
C13 | H37 | sing | 1.09Å | 1.10Å | |
C13 | H38 | sing | 1.09Å | 1.10Å | |
C15 | H40 | sing | 1.09Å | 1.10Å | |
C15 | H41 | sing | 1.09Å | 1.10Å | |
C15 | H42 | sing | 1.09Å | 1.10Å | |
C17 | H45 | sing | 1.09Å | 1.10Å | |
C17 | H44 | sing | 1.09Å | 1.10Å | |
C20 | H49 | sing | 1.09Å | 1.10Å | |
C20 | H48 | sing | 1.09Å | 1.10Å | |
C21 | H50 | sing | 1.09Å | 1.10Å | |
C24 | H54 | sing | 1.08Å | 1.08Å | |
C26 | H55 | sing | 1.08Å | 1.08Å | |
C28 | H56 | sing | 1.08Å | 1.08Å | |
C1 | H34 | sing | 1.08Å | 1.08Å | |
C16 | H43 | sing | 1.09Å | 1.10Å | |
C19 | H46 | sing | 1.09Å | 1.10Å | |
C19 | H47 | sing | 1.09Å | 1.10Å | |
C23 | H53 | sing | 1.09Å | 1.10Å | |
C23 | H51 | sing | 1.09Å | 1.10Å | |
C23 | H52 | sing | 1.09Å | 1.10Å | |
N33 | H58 | sing | 0.97Å | 1.00Å | |
N33 | H57 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | O14 | C2 | 118.3° | 117.0° |
O14 | C15 | H40 | 109.5° | 109.5° |
O14 | C15 | H41 | 109.5° | 109.5° |
O14 | C15 | H42 | 109.5° | 109.5° |
O14 | C2 | C1 | 125.5° | 119.6° |
O14 | C2 | C3 | 114.3° | 119.7° |
O18 | C19 | C20 | 105.2° | 103.5° |
C19 | O18 | C17 | 110.8° | 106.9° |
O18 | C19 | H46 | 110.5° | 110.6° |
O18 | C19 | H47 | 110.5° | 110.6° |
C19 | C20 | C16 | 101.7° | 102.1° |
C19 | C20 | H49 | 111.4° | 110.9° |
C19 | C20 | H48 | 111.4° | 110.9° |
C20 | C19 | H46 | 110.5° | 110.6° |
C20 | C19 | H47 | 110.6° | 110.6° |
C1 | C2 | C3 | 120.3° | 120.7° |
C2 | C1 | C5 | 120.6° | 119.5° |
C2 | C1 | H34 | 119.7° | 120.2° |
C2 | C3 | O11 | 115.6° | 119.6° |
C2 | C3 | C4 | 120.2° | 120.8° |
C1 | C5 | N10 | 118.4° | 121.8° |
C1 | C5 | C6 | 119.1° | 119.5° |
C5 | C1 | H34 | 119.7° | 120.2° |
O18 | C17 | C16 | 105.8° | 107.3° |
O18 | C17 | H45 | 110.4° | 109.8° |
O18 | C17 | H44 | 110.4° | 110.0° |
C3 | O11 | C16 | 124.1° | 117.0° |
O11 | C3 | C4 | 124.2° | 119.6° |
O11 | C16 | C20 | 110.5° | 110.5° |
O11 | C16 | C17 | 108.1° | 110.5° |
O11 | C16 | H43 | 111.8° | 110.5° |
C3 | C4 | C6 | 120.9° | 119.6° |
C3 | C4 | H35 | 119.6° | 120.2° |
C20 | C16 | C17 | 104.1° | 104.2° |
C16 | C20 | H49 | 111.4° | 110.9° |
C16 | C20 | H48 | 111.4° | 110.9° |
C20 | C16 | H43 | 111.1° | 110.4° |
N10 | C5 | C6 | 122.5° | 118.7° |
C5 | N10 | C9 | 115.7° | 120.4° |
C5 | C6 | C4 | 119.0° | 119.9° |
C5 | C6 | C7 | 115.8° | 118.2° |
N10 | C9 | C13 | 117.0° | 118.5° |
N10 | C9 | N8 | 126.2° | 123.0° |
C16 | C17 | H45 | 110.4° | 109.9° |
C16 | C17 | H44 | 110.4° | 109.9° |
C17 | C16 | H43 | 111.0° | 110.5° |
C4 | C6 | C7 | 125.2° | 121.9° |
C6 | C4 | H35 | 119.5° | 120.1° |
C6 | C7 | N8 | 120.4° | 118.2° |
C6 | C7 | N12 | 122.8° | 120.9° |
C13 | C9 | N8 | 116.7° | 118.5° |
C9 | C13 | H39 | 109.5° | 109.5° |
C9 | C13 | H37 | 109.5° | 109.4° |
C9 | C13 | H38 | 109.5° | 109.5° |
C9 | N8 | C7 | 119.3° | 121.5° |
F30 | C29 | F31 | 106.6° | 109.5° |
F30 | C29 | C27 | 112.2° | 109.5° |
F30 | C29 | F32 | 104.1° | 109.5° |
F31 | C29 | C27 | 114.1° | 109.5° |
F31 | C29 | F32 | 106.6° | 109.5° |
N8 | C7 | N12 | 116.8° | 120.9° |
C7 | N12 | C21 | 126.3° | 120.0° |
C7 | N12 | H36 | 105.1° | 120.0° |
C27 | C29 | F32 | 112.5° | 109.4° |
C29 | C27 | C26 | 121.1° | 120.0° |
C29 | C27 | C28 | 119.7° | 120.0° |
C27 | C26 | C25 | 121.1° | 119.9° |
C26 | C27 | C28 | 119.2° | 120.1° |
C27 | C26 | H55 | 119.4° | 120.0° |
C26 | C25 | N33 | 121.0° | 120.1° |
C26 | C25 | C24 | 118.3° | 119.9° |
C25 | C26 | H55 | 119.4° | 120.1° |
N33 | C25 | C24 | 120.7° | 120.1° |
C25 | N33 | H58 | 109.5° | 120.0° |
C25 | N33 | H57 | 109.4° | 120.0° |
C27 | C28 | C22 | 121.0° | 120.2° |
C27 | C28 | H56 | 119.5° | 119.9° |
C25 | C24 | C22 | 121.4° | 119.9° |
C25 | C24 | H54 | 119.3° | 120.1° |
N12 | C21 | C22 | 110.4° | 109.5° |
N12 | C21 | C23 | 108.8° | 109.5° |
C21 | N12 | H36 | 105.1° | 120.0° |
N12 | C21 | H50 | 108.9° | 109.5° |
C28 | C22 | C24 | 118.9° | 120.1° |
C28 | C22 | C21 | 119.6° | 120.0° |
C22 | C28 | H56 | 119.5° | 119.9° |
C24 | C22 | C21 | 121.5° | 119.9° |
C22 | C24 | H54 | 119.3° | 120.0° |
C22 | C21 | C23 | 112.1° | 109.5° |
C22 | C21 | H50 | 108.3° | 109.5° |
C23 | C21 | H50 | 108.2° | 109.4° |
C21 | C23 | H53 | 109.5° | 109.5° |
C21 | C23 | H51 | 109.4° | 109.5° |
C21 | C23 | H52 | 109.5° | 109.5° |
H39 | C13 | H37 | 109.5° | 109.5° |
H39 | C13 | H38 | 109.5° | 109.5° |
H37 | C13 | H38 | 109.5° | 109.5° |
H40 | C15 | H41 | 109.5° | 109.4° |
H40 | C15 | H42 | 109.5° | 109.5° |
H41 | C15 | H42 | 109.4° | 109.5° |
H45 | C17 | H44 | 109.5° | 109.9° |
H49 | C20 | H48 | 109.5° | 110.8° |
H46 | C19 | H47 | 109.5° | 110.7° |
H53 | C23 | H51 | 109.5° | 109.4° |
H53 | C23 | H52 | 109.5° | 109.5° |
H51 | C23 | H52 | 109.5° | 109.5° |
H58 | N33 | H57 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | O14 | C2 | C1 | 5.9° | 0.0° |
C15 | O14 | C2 | C3 | 175.0° | 179.3° |
O14 | C15 | H40 | H41 | 120.0° | 120.0° |
O14 | C15 | H40 | H42 | 120.0° | 120.1° |
O14 | C15 | H41 | H42 | 120.0° | 120.0° |
O14 | C2 | C1 | C3 | 179.1° | 179.2° |
O14 | C2 | C1 | C5 | 179.0° | 180.0° |
O14 | C2 | C3 | O11 | 0.9° | 0.2° |
O14 | C2 | C3 | C4 | 179.4° | 179.7° |
C2 | O14 | C15 | H40 | 180.0° | 180.0° |
C2 | O14 | C15 | H41 | 60.0° | 60.0° |
C2 | O14 | C15 | H42 | 60.0° | 60.0° |
O14 | C2 | C1 | H34 | 1.1° | 0.5° |
O18 | C19 | C20 | H46 | 119.3° | 118.5° |
O18 | C19 | C20 | H47 | 119.3° | 118.5° |
O18 | C19 | C20 | C16 | 35.2° | 37.0° |
C19 | O18 | C17 | C16 | 7.9° | 26.5° |
C19 | O18 | C17 | H45 | 127.4° | 145.9° |
C19 | O18 | C17 | H44 | 111.5° | 93.0° |
O18 | C19 | C20 | H49 | 153.9° | 155.2° |
O18 | C19 | C20 | H48 | 83.6° | 81.2° |
O18 | C19 | H46 | H47 | 121.9° | 122.9° |
C20 | C19 | O18 | C17 | 27.7° | 40.1° |
C19 | C20 | C16 | O11 | 86.0° | 139.6° |
C19 | C20 | C16 | H49 | 118.7° | 118.2° |
C19 | C20 | C16 | H48 | 118.7° | 118.2° |
C19 | C20 | C16 | C17 | 29.8° | 20.9° |
C19 | C20 | H49 | H48 | 123.6° | 123.7° |
C19 | C20 | C16 | H43 | 149.3° | 97.8° |
C20 | C19 | H46 | H47 | 122.0° | 123.0° |
C2 | C1 | C5 | H34 | 180.0° | 179.5° |
C1 | C2 | C3 | O11 | 180.0° | 179.5° |
C1 | C2 | C3 | C4 | 0.2° | 0.5° |
C2 | C1 | C5 | N10 | 179.9° | 179.5° |
C2 | C1 | C5 | C6 | 0.2° | 0.5° |
C3 | C2 | C1 | C5 | 0.1° | 0.8° |
C2 | C3 | O11 | C4 | 179.7° | 180.0° |
C2 | C3 | O11 | C16 | 174.1° | 174.9° |
C2 | C3 | C4 | C6 | 0.4° | 0.0° |
C2 | C3 | C4 | H35 | 179.6° | 179.8° |
C3 | C2 | C1 | H34 | 179.9° | 179.8° |
C1 | C5 | N10 | C6 | 179.7° | 180.0° |
C1 | C5 | N10 | C9 | 179.3° | 179.9° |
C1 | C5 | C6 | C4 | 0.0° | 0.0° |
C1 | C5 | C6 | C7 | 179.6° | 180.0° |
O18 | C17 | C16 | O11 | 102.8° | 116.6° |
O18 | C17 | C16 | C20 | 14.7° | 2.1° |
O18 | C17 | C16 | H45 | 119.4° | 119.4° |
O18 | C17 | C16 | H44 | 119.4° | 119.6° |
O18 | C17 | H45 | H44 | 121.7° | 121.2° |
O18 | C17 | C16 | H43 | 134.2° | 120.7° |
C17 | O18 | C19 | H46 | 91.6° | 78.4° |
C17 | O18 | C19 | H47 | 147.1° | 158.6° |
C3 | O11 | C16 | C20 | 89.7° | 161.0° |
C3 | O11 | C16 | C17 | 157.0° | 84.2° |
O11 | C3 | C4 | C6 | 179.9° | 180.0° |
O11 | C3 | C4 | H35 | 0.2° | 0.2° |
C3 | O11 | C16 | H43 | 34.5° | 38.4° |
C16 | O11 | C3 | C4 | 6.2° | 5.1° |
O11 | C16 | C20 | C17 | 115.8° | 118.7° |
O11 | C16 | C20 | H43 | 124.7° | 122.6° |
O11 | C16 | C17 | H43 | 122.9° | 122.7° |
O11 | C16 | C17 | H45 | 137.8° | 2.8° |
O11 | C16 | C17 | H44 | 16.6° | 123.8° |
O11 | C16 | C20 | H49 | 32.7° | 102.2° |
O11 | C16 | C20 | H48 | 155.3° | 21.4° |
C3 | C4 | C6 | C5 | 0.3° | 0.3° |
C3 | C4 | C6 | H35 | 180.0° | 179.7° |
C3 | C4 | C6 | C7 | 179.9° | 179.8° |
C20 | C16 | C17 | H43 | 119.6° | 118.6° |
C20 | C16 | C17 | H45 | 104.8° | 121.4° |
C20 | C16 | C17 | H44 | 134.1° | 117.5° |
C16 | C20 | H49 | H48 | 123.6° | 123.6° |
C16 | C20 | C19 | H46 | 84.1° | 81.5° |
C16 | C20 | C19 | H47 | 154.5° | 155.5° |
N10 | C5 | C6 | C4 | 179.7° | 180.0° |
N10 | C5 | C6 | C7 | 0.0° | 0.0° |
C5 | N10 | C9 | C13 | 179.6° | 180.0° |
C5 | N10 | C9 | N8 | 3.5° | 0.0° |
N10 | C5 | C1 | H34 | 0.1° | 0.0° |
C6 | C5 | N10 | C9 | 1.1° | 0.0° |
C5 | C6 | C4 | C7 | 179.6° | 180.0° |
C5 | C6 | C7 | N8 | 0.9° | 0.0° |
C5 | C6 | C7 | N12 | 178.9° | 180.0° |
C5 | C6 | C4 | H35 | 179.7° | 180.0° |
C6 | C5 | C1 | H34 | 179.8° | 180.0° |
N10 | C9 | C13 | N8 | 176.5° | 180.0° |
N10 | C9 | N8 | C7 | 4.5° | 0.0° |
N10 | C9 | C13 | H39 | 0.0° | 90.0° |
N10 | C9 | C13 | H37 | 120.0° | 30.0° |
N10 | C9 | C13 | H38 | 120.0° | 150.0° |
C16 | C17 | H45 | H44 | 121.7° | 121.0° |
C17 | C16 | C20 | H49 | 148.5° | 139.0° |
C17 | C16 | C20 | H48 | 88.9° | 97.4° |
C4 | C6 | C7 | N8 | 178.7° | 179.9° |
C4 | C6 | C7 | N12 | 1.4° | 0.0° |
C6 | C7 | N8 | C9 | 3.0° | 0.0° |
C6 | C7 | N8 | N12 | 179.8° | 180.0° |
C6 | C7 | N12 | C21 | 179.9° | 180.0° |
C7 | C6 | C4 | H35 | 0.1° | 0.0° |
C6 | C7 | N12 | H36 | 57.6° | 0.1° |
C13 | C9 | N8 | C7 | 179.4° | 180.0° |
C9 | C13 | H39 | H37 | 120.0° | 120.0° |
C9 | C13 | H39 | H38 | 120.0° | 120.0° |
C9 | C13 | H37 | H38 | 120.0° | 120.0° |
C9 | N8 | C7 | N12 | 176.9° | 180.0° |
N8 | C9 | C13 | H39 | 176.5° | 90.0° |
N8 | C9 | C13 | H37 | 56.5° | 150.0° |
N8 | C9 | C13 | H38 | 63.5° | 30.0° |
F30 | C29 | F31 | C27 | 124.4° | 120.0° |
F30 | C29 | F31 | F32 | 110.8° | 120.0° |
F30 | C29 | C27 | F32 | 117.0° | 120.0° |
F30 | C29 | C27 | C26 | 126.7° | 120.0° |
F30 | C29 | C27 | C28 | 51.9° | 60.3° |
F31 | C29 | C27 | F32 | 121.6° | 120.0° |
F31 | C29 | C27 | C26 | 5.3° | 120.0° |
F31 | C29 | C27 | C28 | 173.2° | 59.7° |
N8 | C7 | N12 | C21 | 0.3° | 0.0° |
N8 | C7 | N12 | H36 | 122.6° | 180.0° |
C7 | N12 | C21 | H36 | 122.3° | 179.9° |
C7 | N12 | C21 | C22 | 101.6° | 155.0° |
C7 | N12 | C21 | C23 | 135.0° | 85.0° |
C7 | N12 | C21 | H50 | 17.2° | 35.0° |
C29 | C27 | C26 | C28 | 178.6° | 179.8° |
C29 | C27 | C26 | C25 | 179.7° | 180.0° |
C29 | C27 | C28 | C22 | 179.4° | 179.8° |
C29 | C27 | C26 | H55 | 0.3° | 0.2° |
C29 | C27 | C28 | H56 | 0.6° | 0.2° |
F32 | C29 | C27 | C26 | 116.3° | 0.0° |
F32 | C29 | C27 | C28 | 65.1° | 179.8° |
C27 | C26 | C25 | H55 | 180.0° | 179.8° |
C27 | C26 | C25 | N33 | 179.6° | 180.0° |
C27 | C26 | C25 | C24 | 0.8° | 0.2° |
C26 | C27 | C28 | C22 | 2.0° | 0.0° |
C26 | C27 | C28 | H56 | 178.1° | 180.0° |
C26 | C25 | N33 | C24 | 179.6° | 179.8° |
C25 | C26 | C27 | C28 | 1.2° | 0.2° |
C26 | C25 | C24 | C22 | 1.2° | 0.0° |
C26 | C25 | C24 | H54 | 178.8° | 180.0° |
C26 | C25 | N33 | H58 | 180.0° | 0.0° |
C26 | C25 | N33 | H57 | 60.0° | 179.9° |
N33 | C25 | C24 | C22 | 179.2° | 179.7° |
N33 | C25 | C24 | H54 | 0.8° | 0.2° |
N33 | C25 | C26 | H55 | 0.4° | 0.2° |
C25 | N33 | H58 | H57 | 120.0° | 179.9° |
C27 | C28 | C22 | H56 | 180.0° | 180.0° |
C27 | C28 | C22 | C24 | 2.4° | 0.2° |
C27 | C28 | C22 | C21 | 179.8° | 180.0° |
C28 | C27 | C26 | H55 | 178.8° | 180.0° |
C25 | C24 | C22 | C28 | 2.0° | 0.2° |
C25 | C24 | C22 | H54 | 180.0° | 180.0° |
C25 | C24 | C22 | C21 | 179.4° | 180.0° |
C24 | C25 | C26 | H55 | 179.2° | 180.0° |
C24 | C25 | N33 | H58 | 0.4° | 179.7° |
C24 | C25 | N33 | H57 | 120.4° | 0.3° |
N12 | C21 | C22 | C28 | 111.1° | 140.3° |
N12 | C21 | C22 | C24 | 66.2° | 40.0° |
N12 | C21 | C22 | C23 | 121.5° | 120.0° |
N12 | C21 | C22 | H50 | 119.2° | 120.1° |
N12 | C21 | C23 | H50 | 118.2° | 120.0° |
N12 | C21 | C23 | H53 | 180.0° | 60.0° |
N12 | C21 | C23 | H51 | 60.0° | 60.0° |
N12 | C21 | C23 | H52 | 60.0° | 180.0° |
C28 | C22 | C24 | C21 | 177.4° | 179.8° |
C28 | C22 | C21 | C23 | 127.4° | 99.7° |
C28 | C22 | C21 | H50 | 8.1° | 20.2° |
C28 | C22 | C24 | H54 | 178.0° | 179.8° |
C24 | C22 | C21 | C23 | 55.3° | 80.1° |
C24 | C22 | C21 | H50 | 174.6° | 160.0° |
C24 | C22 | C28 | H56 | 177.7° | 179.8° |
C22 | C21 | C23 | H50 | 119.4° | 120.0° |
C22 | C21 | N12 | H36 | 20.6° | 25.0° |
C21 | C22 | C24 | H54 | 0.7° | 0.0° |
C21 | C22 | C28 | H56 | 0.2° | 0.0° |
C22 | C21 | C23 | H53 | 57.6° | 60.0° |
C22 | C21 | C23 | H51 | 62.4° | 180.0° |
C22 | C21 | C23 | H52 | 177.6° | 60.0° |
C23 | C21 | N12 | H36 | 102.8° | 95.0° |
C21 | C23 | H53 | H51 | 120.0° | 120.0° |
C21 | C23 | H53 | H52 | 120.0° | 120.0° |
C21 | C23 | H51 | H52 | 120.0° | 120.0° |
H36 | N12 | C21 | H50 | 139.5° | 145.1° |
H39 | C13 | H37 | H38 | 120.0° | 120.1° |
H40 | C15 | H41 | H42 | 120.0° | 120.0° |
H45 | C17 | C16 | H43 | 14.8° | 119.9° |
H44 | C17 | C16 | H43 | 106.3° | 1.1° |
H49 | C20 | C16 | H43 | 91.9° | 20.4° |
H49 | C20 | C19 | H46 | 34.6° | 36.8° |
H49 | C20 | C19 | H47 | 86.7° | 86.3° |
H48 | C20 | C16 | H43 | 30.6° | 143.9° |
H48 | C20 | C19 | H46 | 157.1° | 160.4° |
H48 | C20 | C19 | H47 | 35.8° | 37.3° |
H50 | C21 | C23 | H53 | 61.8° | 180.0° |
H50 | C21 | C23 | H51 | 178.2° | 60.0° |
H50 | C21 | C23 | H52 | 58.2° | 60.0° |
H53 | C23 | H51 | H52 | 120.0° | 120.0° |