LSX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | P8 | doub | 1.48Å | 1.51Å | |
O9 | P8 | sing | 1.61Å | 1.51Å | |
P8 | O11 | sing | 1.61Å | 1.51Å | |
P8 | C7 | sing | 1.82Å | 1.83Å | |
C12 | C7 | sing | 1.53Å | 1.54Å | |
C12 | C13 | sing | 1.53Å | 1.55Å | |
O15 | C14 | doub | 1.21Å | 1.23Å | |
C7 | C3 | sing | 1.51Å | 1.49Å | |
C13 | C14 | sing | 1.51Å | 1.52Å | |
C14 | N16 | sing | 1.35Å | 1.33Å | |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
N16 | O18 | sing | 1.42Å | 1.40Å | |
N16 | C17 | sing | 1.46Å | 1.46Å | |
C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C6 | O19 | sing | 1.36Å | 1.38Å | |
O19 | C20 | sing | 1.43Å | 1.44Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
O9 | H4 | sing | 0.97Å | 0.95Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
O18 | H10 | sing | 0.97Å | 0.95Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
O11 | H13 | sing | 0.97Å | 0.95Å | |
C5 | H14 | sing | 1.08Å | 1.08Å | |
C1 | H15 | sing | 1.08Å | 1.08Å | |
C20 | H16 | sing | 1.09Å | 1.10Å | |
C20 | H17 | sing | 1.09Å | 1.10Å | |
C20 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | P8 | O9 | 113.6° | 109.5° |
O10 | P8 | O11 | 111.4° | 109.5° |
O10 | P8 | C7 | 104.0° | 109.5° |
O9 | P8 | O11 | 116.0° | 109.5° |
O9 | P8 | C7 | 107.5° | 109.5° |
P8 | O9 | H4 | 109.5° | 113.9° |
O11 | P8 | C7 | 102.9° | 109.4° |
P8 | O11 | H13 | 109.5° | 114.0° |
P8 | C7 | C12 | 113.2° | 109.4° |
P8 | C7 | C3 | 112.9° | 109.5° |
P8 | C7 | H3 | 104.5° | 109.5° |
C7 | C12 | C13 | 113.0° | 109.5° |
C12 | C7 | C3 | 110.5° | 109.4° |
C12 | C7 | H3 | 107.3° | 109.5° |
C7 | C12 | H11 | 108.6° | 109.5° |
C7 | C12 | H12 | 108.6° | 109.5° |
C12 | C13 | C14 | 109.7° | 109.5° |
C12 | C13 | H5 | 109.4° | 109.5° |
C12 | C13 | H6 | 109.4° | 109.4° |
C13 | C12 | H11 | 108.6° | 109.5° |
C13 | C12 | H12 | 108.6° | 109.5° |
O15 | C14 | C13 | 120.4° | 120.0° |
O15 | C14 | N16 | 118.6° | 120.0° |
C7 | C3 | C2 | 122.4° | 119.9° |
C7 | C3 | C4 | 118.5° | 120.0° |
C3 | C7 | H3 | 107.9° | 109.5° |
C13 | C14 | N16 | 120.9° | 120.0° |
C14 | C13 | H5 | 109.4° | 109.5° |
C14 | C13 | H6 | 109.4° | 109.5° |
C14 | N16 | O18 | 115.2° | 119.9° |
C14 | N16 | C17 | 128.1° | 120.0° |
C2 | C3 | C4 | 119.1° | 120.1° |
C3 | C2 | C1 | 120.3° | 120.0° |
C3 | C2 | H1 | 119.9° | 120.0° |
C3 | C4 | C5 | 120.9° | 120.1° |
C3 | C4 | H2 | 119.6° | 120.0° |
C2 | C1 | C6 | 120.2° | 120.0° |
C1 | C2 | H1 | 119.9° | 119.9° |
C2 | C1 | H15 | 119.9° | 120.0° |
O18 | N16 | C17 | 116.7° | 120.0° |
N16 | O18 | H10 | 109.5° | 113.9° |
N16 | C17 | H7 | 109.5° | 109.5° |
N16 | C17 | H8 | 109.4° | 109.4° |
N16 | C17 | H9 | 109.5° | 109.5° |
C4 | C5 | C6 | 119.8° | 119.9° |
C5 | C4 | H2 | 119.6° | 120.0° |
C4 | C5 | H14 | 120.1° | 120.0° |
C1 | C6 | C5 | 119.7° | 119.9° |
C1 | C6 | O19 | 120.5° | 120.1° |
C6 | C1 | H15 | 119.9° | 120.0° |
C5 | C6 | O19 | 119.7° | 120.1° |
C6 | C5 | H14 | 120.1° | 120.0° |
C6 | O19 | C20 | 119.3° | 117.0° |
O19 | C20 | H16 | 109.5° | 109.5° |
O19 | C20 | H17 | 109.5° | 109.5° |
O19 | C20 | H18 | 109.5° | 109.5° |
H5 | C13 | H6 | 109.5° | 109.5° |
H7 | C17 | H8 | 109.5° | 109.5° |
H7 | C17 | H9 | 109.4° | 109.4° |
H8 | C17 | H9 | 109.5° | 109.5° |
H11 | C12 | H12 | 109.4° | 109.5° |
H16 | C20 | H17 | 109.5° | 109.5° |
H16 | C20 | H18 | 109.5° | 109.5° |
H17 | C20 | H18 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | P8 | O9 | O11 | 131.0° | 120.0° |
O10 | P8 | O9 | C7 | 114.6° | 120.0° |
O10 | P8 | O11 | C7 | 110.9° | 120.0° |
O10 | P8 | C7 | C12 | 51.6° | 174.2° |
O10 | P8 | C7 | C3 | 178.1° | 54.3° |
O10 | P8 | C7 | H3 | 64.8° | 65.8° |
O10 | P8 | O9 | H4 | 0.0° | 54.3° |
O10 | P8 | O11 | H13 | 0.0° | 60.0° |
O9 | P8 | O11 | C7 | 117.1° | 120.0° |
O9 | P8 | C7 | C12 | 69.2° | 54.2° |
O9 | P8 | C7 | C3 | 57.3° | 65.7° |
O9 | P8 | C7 | H3 | 174.4° | 174.2° |
O9 | P8 | O11 | H13 | 132.0° | 180.0° |
O11 | P8 | C7 | C12 | 167.8° | 65.8° |
O11 | P8 | C7 | C3 | 65.6° | 174.3° |
O11 | P8 | C7 | H3 | 51.4° | 54.2° |
O11 | P8 | O9 | H4 | 131.0° | 174.3° |
P8 | C7 | C12 | C3 | 127.8° | 120.0° |
P8 | C7 | C12 | H3 | 114.8° | 120.0° |
P8 | C7 | C12 | C13 | 170.3° | 66.1° |
P8 | C7 | C3 | H3 | 115.0° | 120.1° |
P8 | C7 | C3 | C2 | 74.3° | 105.1° |
P8 | C7 | C3 | C4 | 107.7° | 75.0° |
C7 | P8 | O9 | H4 | 114.5° | 65.7° |
P8 | C7 | C12 | H11 | 49.8° | 53.9° |
P8 | C7 | C12 | H12 | 69.1° | 173.9° |
C7 | P8 | O11 | H13 | 110.9° | 60.0° |
C7 | C12 | C13 | H11 | 120.6° | 120.0° |
C7 | C12 | C13 | H12 | 120.5° | 120.0° |
C12 | C7 | C3 | H3 | 117.0° | 120.0° |
C7 | C12 | C13 | C14 | 58.1° | 174.6° |
C12 | C7 | C3 | C2 | 53.7° | 135.0° |
C12 | C7 | C3 | C4 | 124.3° | 45.0° |
C7 | C12 | C13 | H5 | 178.1° | 65.4° |
C7 | C12 | C13 | H6 | 61.9° | 54.6° |
C7 | C12 | H11 | H12 | 118.4° | 120.0° |
C12 | C13 | C14 | O15 | 50.0° | 0.0° |
C13 | C12 | C7 | C3 | 61.9° | 174.0° |
C12 | C13 | C14 | H5 | 120.0° | 120.0° |
C12 | C13 | C14 | H6 | 120.0° | 120.0° |
C12 | C13 | C14 | N16 | 128.4° | 180.0° |
C13 | C12 | C7 | H3 | 55.6° | 53.9° |
C12 | C13 | H5 | H6 | 119.9° | 119.9° |
C13 | C12 | H11 | H12 | 118.4° | 120.0° |
O15 | C14 | C13 | N16 | 178.4° | 180.0° |
O15 | C14 | N16 | O18 | 0.7° | 180.0° |
O15 | C14 | N16 | C17 | 179.5° | 0.0° |
O15 | C14 | C13 | H5 | 70.1° | 120.0° |
O15 | C14 | C13 | H6 | 170.0° | 120.0° |
C7 | C3 | C2 | C4 | 178.0° | 180.0° |
C7 | C3 | C2 | C1 | 179.2° | 179.9° |
C7 | C3 | C4 | C5 | 178.6° | 180.0° |
C7 | C3 | C2 | H1 | 0.8° | 0.3° |
C7 | C3 | C4 | H2 | 1.4° | 0.0° |
C3 | C7 | C12 | H11 | 177.6° | 66.1° |
C3 | C7 | C12 | H12 | 58.7° | 54.0° |
C13 | C14 | N16 | O18 | 179.2° | 0.0° |
C13 | C14 | N16 | C17 | 1.0° | 180.0° |
C14 | C13 | H5 | H6 | 119.9° | 120.0° |
C14 | C13 | C12 | H11 | 62.4° | 65.4° |
C14 | C13 | C12 | H12 | 178.7° | 54.6° |
C14 | N16 | O18 | C17 | 179.8° | 179.9° |
N16 | C14 | C13 | H5 | 111.5° | 60.0° |
N16 | C14 | C13 | H6 | 8.4° | 60.0° |
C14 | N16 | C17 | H7 | 180.0° | 60.0° |
C14 | N16 | C17 | H8 | 60.0° | 180.0° |
C14 | N16 | C17 | H9 | 60.0° | 60.0° |
C14 | N16 | O18 | H10 | 0.4° | 180.0° |
C3 | C2 | C1 | H1 | 180.0° | 179.6° |
C2 | C3 | C4 | C5 | 0.5° | 0.1° |
C3 | C2 | C1 | C6 | 1.3° | 0.1° |
C2 | C3 | C4 | H2 | 179.5° | 180.0° |
C2 | C3 | C7 | H3 | 170.7° | 15.0° |
C3 | C2 | C1 | H15 | 178.7° | 179.7° |
C4 | C3 | C2 | C1 | 1.2° | 0.1° |
C3 | C4 | C5 | H2 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.0° | 0.0° |
C4 | C3 | C2 | H1 | 178.8° | 179.7° |
C4 | C3 | C7 | H3 | 7.3° | 164.9° |
C3 | C4 | C5 | H14 | 180.0° | 180.0° |
C2 | C1 | C6 | H15 | 180.0° | 179.8° |
C2 | C1 | C6 | C5 | 0.8° | 0.0° |
C2 | C1 | C6 | O19 | 179.9° | 180.0° |
O18 | N16 | C17 | H7 | 0.2° | 120.0° |
O18 | N16 | C17 | H8 | 119.8° | 0.1° |
O18 | N16 | C17 | H9 | 120.2° | 120.0° |
N16 | C17 | H7 | H8 | 120.0° | 120.0° |
N16 | C17 | H7 | H9 | 120.0° | 120.0° |
N16 | C17 | H8 | H9 | 120.0° | 120.0° |
C17 | N16 | O18 | H10 | 179.8° | 0.1° |
C4 | C5 | C6 | C1 | 0.1° | 0.0° |
C4 | C5 | C6 | H14 | 180.0° | 180.0° |
C4 | C5 | C6 | O19 | 179.4° | 180.0° |
C1 | C6 | C5 | O19 | 179.3° | 180.0° |
C1 | C6 | O19 | C20 | 5.5° | 0.0° |
C6 | C1 | C2 | H1 | 178.7° | 179.7° |
C1 | C6 | C5 | H14 | 179.9° | 180.0° |
C5 | C6 | O19 | C20 | 175.3° | 180.0° |
C6 | C5 | C4 | H2 | 179.9° | 180.0° |
C5 | C6 | C1 | H15 | 179.2° | 179.8° |
O19 | C6 | C5 | H14 | 0.6° | 0.0° |
O19 | C6 | C1 | H15 | 0.1° | 0.2° |
C6 | O19 | C20 | H16 | 180.0° | 60.0° |
C6 | O19 | C20 | H17 | 60.0° | 60.0° |
C6 | O19 | C20 | H18 | 60.0° | 180.0° |
O19 | C20 | H16 | H17 | 120.0° | 120.0° |
O19 | C20 | H16 | H18 | 120.0° | 120.0° |
O19 | C20 | H17 | H18 | 120.0° | 120.0° |
H1 | C2 | C1 | H15 | 1.3° | 0.1° |
H2 | C4 | C5 | H14 | 0.0° | 0.0° |
H3 | C7 | C12 | H11 | 65.0° | 173.9° |
H3 | C7 | C12 | H12 | 176.1° | 66.0° |
H5 | C13 | C12 | H11 | 57.6° | 54.6° |
H5 | C13 | C12 | H12 | 61.3° | 174.6° |
H6 | C13 | C12 | H11 | 177.6° | 174.5° |
H6 | C13 | C12 | H12 | 58.6° | 65.4° |
H7 | C17 | H8 | H9 | 120.0° | 120.0° |
H16 | C20 | H17 | H18 | 120.0° | 120.0° |