LH5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C04 | doub | 1.30Å | 1.35Å | |
C08 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C08 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
C04 | N05 | sing | 1.38Å | 1.29Å | |
C04 | C07 | sing | 1.48Å | 1.49Å | |
C10 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
O46 | B45 | sing | 1.42Å | 1.35Å | |
O48 | B45 | sing | 1.43Å | 1.38Å | |
O48 | C30 | sing | 1.43Å | 1.46Å | |
C12 | C30 | sing | 1.51Å | 1.51Å | |
C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
B45 | C44 | sing | 1.58Å | 1.54Å | |
C15 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C15 | O16 | sing | 1.36Å | 1.38Å | |
C30 | C32 | sing | 1.53Å | 1.52Å | |
O16 | C17 | sing | 1.43Å | 1.44Å | |
C44 | C42 | doub | 1.39Å | 1.41Å | Aromatic |
C44 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
C32 | C35 | sing | 1.50Å | 1.51Å | |
C42 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C20 | sing | 1.51Å | 1.51Å | |
C28 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C28 | N27 | sing | 1.32Å | 1.34Å | Aromatic |
C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
N27 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
C40 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
C36 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C21 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
C25 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.09Å | 1.10Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
C21 | H5 | sing | 1.08Å | 1.08Å | |
C28 | H6 | sing | 1.08Å | 1.08Å | |
N01 | H7 | sing | 0.97Å | 1.00Å | |
N05 | H8 | sing | 0.97Å | 1.00Å | |
N05 | H9 | sing | 0.97Å | 1.00Å | |
C08 | H10 | sing | 1.08Å | 1.08Å | |
C23 | H11 | sing | 1.08Å | 1.08Å | |
C25 | H12 | sing | 1.08Å | 1.08Å | |
C30 | H13 | sing | 1.09Å | 1.10Å | |
C32 | H14 | sing | 1.09Å | 1.10Å | |
C32 | H15 | sing | 1.09Å | 1.10Å | |
C36 | H16 | sing | 1.08Å | 1.08Å | |
C38 | H17 | sing | 1.08Å | 1.08Å | |
C40 | H18 | sing | 1.08Å | 1.08Å | |
C42 | H19 | sing | 1.08Å | 1.08Å | |
O46 | H20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N01 | C04 | N05 | 119.0° | 120.0° |
N01 | C04 | C07 | 120.9° | 120.0° |
C04 | N01 | H7 | 112.0° | 120.0° |
C10 | C08 | C07 | 120.9° | 119.9° |
C08 | C10 | C12 | 121.0° | 120.3° |
C08 | C10 | H1 | 119.5° | 119.9° |
C10 | C08 | H10 | 119.6° | 120.1° |
C08 | C07 | C04 | 118.4° | 120.1° |
C08 | C07 | C15 | 118.0° | 119.7° |
C07 | C08 | H10 | 119.6° | 120.1° |
N05 | C04 | C07 | 120.1° | 120.0° |
C04 | N05 | H8 | 120.0° | 120.0° |
C04 | N05 | H9 | 120.0° | 120.0° |
C04 | C07 | C15 | 123.6° | 120.2° |
C10 | C12 | C30 | 121.5° | 119.8° |
C10 | C12 | C13 | 118.7° | 120.4° |
C12 | C10 | H1 | 119.5° | 119.8° |
C07 | C15 | C13 | 120.6° | 119.7° |
C07 | C15 | O16 | 116.2° | 120.1° |
O46 | B45 | O48 | 116.5° | 122.0° |
O46 | B45 | C44 | 122.2° | 122.0° |
B45 | O46 | H20 | 109.5° | 114.0° |
B45 | O48 | C30 | 122.5° | 111.3° |
O48 | B45 | C44 | 116.9° | 115.9° |
O48 | C30 | C12 | 114.4° | 109.3° |
O48 | C30 | C32 | 116.0° | 110.3° |
O48 | C30 | H13 | 103.9° | 109.2° |
C30 | C12 | C13 | 119.8° | 119.8° |
C12 | C30 | C32 | 113.7° | 109.4° |
C12 | C30 | H13 | 103.4° | 109.4° |
C12 | C13 | C15 | 120.8° | 120.1° |
C12 | C13 | H2 | 119.6° | 120.0° |
B45 | C44 | C42 | 123.1° | 121.1° |
B45 | C44 | C35 | 119.1° | 118.4° |
C13 | C15 | O16 | 123.1° | 120.2° |
C15 | C13 | H2 | 119.6° | 119.9° |
C15 | O16 | C17 | 119.8° | 117.0° |
C30 | C32 | C35 | 111.2° | 111.2° |
C32 | C30 | H13 | 103.3° | 109.3° |
C30 | C32 | H14 | 109.1° | 109.1° |
C30 | C32 | H15 | 109.0° | 109.1° |
O16 | C17 | C20 | 111.2° | 109.5° |
O16 | C17 | H3 | 109.0° | 109.5° |
O16 | C17 | H4 | 109.0° | 109.5° |
C42 | C44 | C35 | 117.7° | 120.5° |
C44 | C42 | C40 | 121.5° | 119.5° |
C44 | C42 | H19 | 119.2° | 120.2° |
C44 | C35 | C32 | 119.3° | 120.3° |
C44 | C35 | C36 | 119.9° | 119.4° |
C32 | C35 | C36 | 120.7° | 120.3° |
C35 | C32 | H14 | 109.0° | 109.2° |
C35 | C32 | H15 | 109.0° | 109.1° |
C42 | C40 | C38 | 120.0° | 120.0° |
C42 | C40 | H18 | 120.0° | 120.0° |
C40 | C42 | H19 | 119.2° | 120.3° |
C35 | C36 | C38 | 120.9° | 120.1° |
C35 | C36 | H16 | 119.5° | 120.0° |
C17 | C20 | C28 | 121.5° | 120.5° |
C17 | C20 | C21 | 121.5° | 120.4° |
C20 | C17 | H3 | 109.0° | 109.4° |
C20 | C17 | H4 | 109.0° | 109.5° |
C20 | C28 | N27 | 124.2° | 120.8° |
C28 | C20 | C21 | 117.0° | 119.2° |
C20 | C28 | H6 | 117.9° | 119.6° |
C28 | N27 | C25 | 117.2° | 121.8° |
N27 | C28 | H6 | 117.9° | 119.6° |
C20 | C21 | C23 | 120.1° | 118.4° |
C20 | C21 | H5 | 119.9° | 120.9° |
N27 | C25 | C23 | 123.2° | 120.7° |
N27 | C25 | H12 | 118.4° | 119.7° |
C40 | C38 | C36 | 119.9° | 120.5° |
C40 | C38 | H17 | 120.1° | 119.7° |
C38 | C40 | H18 | 120.0° | 120.0° |
C38 | C36 | H16 | 119.6° | 119.9° |
C36 | C38 | H17 | 120.0° | 119.8° |
C21 | C23 | C25 | 118.3° | 119.2° |
C23 | C21 | H5 | 120.0° | 120.7° |
C21 | C23 | H11 | 120.9° | 120.4° |
C25 | C23 | H11 | 120.9° | 120.4° |
C23 | C25 | H12 | 118.4° | 119.6° |
H3 | C17 | H4 | 109.5° | 109.4° |
H8 | N05 | H9 | 120.0° | 120.0° |
H14 | C32 | H15 | 109.5° | 109.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C04 | C07 | C08 | 42.7° | 174.2° |
N01 | C04 | N05 | C07 | 178.3° | 180.0° |
N01 | C04 | C07 | C15 | 137.4° | 6.7° |
N01 | C04 | N05 | H8 | 178.3° | 0.1° |
N01 | C04 | N05 | H9 | 1.7° | 180.0° |
C10 | C08 | C07 | H10 | 180.0° | 180.0° |
C10 | C08 | C07 | C04 | 179.8° | 179.7° |
C08 | C10 | C12 | H1 | 180.0° | 179.7° |
C10 | C08 | C07 | C15 | 0.2° | 0.5° |
C08 | C10 | C12 | C30 | 179.1° | 179.7° |
C08 | C10 | C12 | C13 | 0.3° | 0.3° |
C08 | C07 | C04 | N05 | 135.5° | 5.9° |
C08 | C07 | C04 | C15 | 179.9° | 179.2° |
C07 | C08 | C10 | C12 | 0.4° | 0.0° |
C08 | C07 | C15 | C13 | 0.1° | 0.8° |
C08 | C07 | C15 | O16 | 179.5° | 179.8° |
C07 | C08 | C10 | H1 | 179.6° | 179.7° |
N05 | C04 | C07 | C15 | 44.4° | 173.3° |
N05 | C04 | N01 | H7 | 178.2° | 176.1° |
C04 | N05 | H8 | H9 | 180.0° | 179.9° |
C04 | C07 | C15 | C13 | 179.8° | 180.0° |
C04 | C07 | C15 | O16 | 0.4° | 0.6° |
C07 | C04 | N01 | H7 | 0.0° | 3.9° |
C07 | C04 | N05 | H8 | 0.0° | 180.0° |
C07 | C04 | N05 | H9 | 180.0° | 0.0° |
C04 | C07 | C08 | H10 | 0.2° | 0.2° |
C10 | C12 | C30 | O48 | 13.6° | 35.9° |
C10 | C12 | C30 | C13 | 179.4° | 179.9° |
C10 | C12 | C13 | C15 | 0.0° | 0.0° |
C10 | C12 | C30 | C32 | 122.8° | 84.9° |
C10 | C12 | C13 | H2 | 180.0° | 180.0° |
C12 | C10 | C08 | H10 | 179.6° | 180.0° |
C10 | C12 | C30 | H13 | 125.9° | 155.3° |
C07 | C15 | C13 | C12 | 0.2° | 0.5° |
C07 | C15 | C13 | O16 | 179.4° | 179.4° |
C07 | C15 | O16 | C17 | 168.9° | 179.4° |
C07 | C15 | C13 | H2 | 179.8° | 179.4° |
C15 | C07 | C08 | H10 | 179.7° | 179.4° |
O46 | B45 | O48 | C44 | 157.0° | 180.0° |
O46 | B45 | O48 | C30 | 166.8° | 138.7° |
O46 | B45 | C44 | C42 | 2.2° | 8.5° |
O46 | B45 | C44 | C35 | 174.3° | 171.3° |
B45 | O48 | C30 | C12 | 156.9° | 174.1° |
B45 | O48 | C30 | C32 | 21.5° | 65.7° |
O48 | B45 | C44 | C42 | 157.8° | 171.5° |
O48 | B45 | C44 | C35 | 18.8° | 8.7° |
B45 | O48 | C30 | H13 | 91.1° | 54.5° |
O48 | B45 | O46 | H20 | 0.0° | 0.0° |
O48 | C30 | C12 | C32 | 136.4° | 120.8° |
O48 | C30 | C12 | H13 | 112.3° | 119.5° |
O48 | C30 | C12 | C13 | 165.8° | 144.2° |
C30 | O48 | B45 | C44 | 9.9° | 41.3° |
O48 | C30 | C32 | H13 | 113.0° | 120.1° |
O48 | C30 | C32 | C35 | 42.6° | 55.9° |
O48 | C30 | C32 | H14 | 77.6° | 64.6° |
O48 | C30 | C32 | H15 | 162.9° | 176.3° |
C30 | C12 | C13 | C15 | 179.4° | 180.0° |
C12 | C30 | C32 | H13 | 111.3° | 119.7° |
C12 | C30 | C32 | C35 | 178.3° | 176.1° |
C30 | C12 | C10 | H1 | 0.9° | 0.1° |
C30 | C12 | C13 | H2 | 0.6° | 0.1° |
C12 | C30 | C32 | H14 | 58.1° | 55.6° |
C12 | C30 | C32 | H15 | 61.4° | 63.5° |
C12 | C13 | C15 | H2 | 180.0° | 179.9° |
C12 | C13 | C15 | O16 | 179.6° | 179.9° |
C13 | C12 | C30 | C32 | 57.8° | 95.0° |
C13 | C12 | C10 | H1 | 179.7° | 180.0° |
C13 | C12 | C30 | H13 | 53.5° | 24.7° |
B45 | C44 | C42 | C35 | 176.6° | 179.8° |
B45 | C44 | C35 | C32 | 4.9° | 0.5° |
B45 | C44 | C42 | C40 | 177.9° | 179.6° |
B45 | C44 | C35 | C36 | 178.3° | 179.5° |
B45 | C44 | C42 | H19 | 2.1° | 0.4° |
C44 | B45 | O46 | H20 | 155.6° | 180.0° |
C13 | C15 | O16 | C17 | 11.7° | 0.0° |
C15 | O16 | C17 | C20 | 71.4° | 180.0° |
O16 | C15 | C13 | H2 | 0.4° | 0.0° |
C15 | O16 | C17 | H3 | 48.9° | 60.0° |
C15 | O16 | C17 | H4 | 168.4° | 59.9° |
C30 | C32 | C35 | C44 | 34.4° | 23.2° |
C30 | C32 | C35 | H14 | 120.3° | 120.4° |
C30 | C32 | C35 | H15 | 120.2° | 120.4° |
C30 | C32 | C35 | C36 | 148.8° | 156.9° |
C30 | C32 | H14 | H15 | 119.2° | 119.1° |
O16 | C17 | C20 | H3 | 120.3° | 120.0° |
O16 | C17 | C20 | H4 | 120.2° | 120.1° |
O16 | C17 | C20 | C28 | 37.7° | 90.2° |
O16 | C17 | C20 | C21 | 140.3° | 90.0° |
O16 | C17 | H3 | H4 | 119.2° | 120.0° |
C42 | C44 | C35 | C32 | 178.4° | 179.7° |
C44 | C42 | C40 | H19 | 180.0° | 179.9° |
C42 | C44 | C35 | C36 | 1.6° | 0.3° |
C44 | C42 | C40 | C38 | 0.3° | 0.1° |
C44 | C42 | C40 | H18 | 179.7° | 180.0° |
C44 | C35 | C32 | C36 | 176.8° | 179.9° |
C35 | C44 | C42 | C40 | 1.3° | 0.2° |
C44 | C35 | C36 | C38 | 0.9° | 0.1° |
C44 | C35 | C32 | H14 | 85.9° | 97.2° |
C44 | C35 | C32 | H15 | 154.6° | 143.6° |
C44 | C35 | C36 | H16 | 179.1° | 179.8° |
C35 | C44 | C42 | H19 | 178.8° | 179.8° |
C32 | C35 | C36 | C38 | 177.7° | 179.8° |
C35 | C32 | C30 | H13 | 70.4° | 64.2° |
C35 | C32 | H14 | H15 | 119.2° | 119.2° |
C32 | C35 | C36 | H16 | 2.3° | 0.2° |
C42 | C40 | C38 | H18 | 180.0° | 179.9° |
C42 | C40 | C38 | C36 | 0.4° | 0.1° |
C42 | C40 | C38 | H17 | 179.6° | 180.0° |
C35 | C36 | C38 | C40 | 0.1° | 0.0° |
C35 | C36 | C38 | H16 | 180.0° | 180.0° |
C36 | C35 | C32 | H14 | 90.9° | 82.7° |
C36 | C35 | C32 | H15 | 28.6° | 36.5° |
C35 | C36 | C38 | H17 | 179.9° | 180.0° |
C17 | C20 | C28 | C21 | 178.0° | 179.7° |
C17 | C20 | C28 | N27 | 177.6° | 180.0° |
C17 | C20 | C21 | C23 | 178.2° | 180.0° |
C20 | C17 | H3 | H4 | 119.2° | 120.0° |
C17 | C20 | C21 | H5 | 1.8° | 0.0° |
C17 | C20 | C28 | H6 | 2.4° | 0.0° |
C20 | C28 | N27 | H6 | 180.0° | 180.0° |
C20 | C28 | N27 | C25 | 0.8° | 0.0° |
C28 | C20 | C21 | C23 | 0.2° | 0.3° |
C28 | C20 | C17 | H3 | 157.9° | 29.8° |
C28 | C20 | C17 | H4 | 82.6° | 149.7° |
C28 | C20 | C21 | H5 | 179.8° | 179.8° |
N27 | C28 | C20 | C21 | 0.4° | 0.3° |
C28 | N27 | C25 | C23 | 0.5° | 0.3° |
C28 | N27 | C25 | H12 | 179.5° | 180.0° |
C20 | C21 | C23 | H5 | 180.0° | 179.9° |
C20 | C21 | C23 | C25 | 0.4° | 0.0° |
C21 | C20 | C17 | H3 | 20.0° | 150.0° |
C21 | C20 | C17 | H4 | 99.5° | 30.1° |
C21 | C20 | C28 | H6 | 179.6° | 179.7° |
C20 | C21 | C23 | H11 | 179.6° | 180.0° |
N27 | C25 | C23 | C21 | 0.0° | 0.3° |
N27 | C25 | C23 | H12 | 180.0° | 179.7° |
C25 | N27 | C28 | H6 | 179.2° | 180.0° |
N27 | C25 | C23 | H11 | 180.0° | 179.7° |
C40 | C38 | C36 | H17 | 180.0° | 180.0° |
C40 | C38 | C36 | H16 | 179.9° | 180.0° |
C38 | C40 | C42 | H19 | 179.8° | 180.0° |
C36 | C38 | C40 | H18 | 179.5° | 179.9° |
C21 | C23 | C25 | H11 | 180.0° | 180.0° |
C21 | C23 | C25 | H12 | 180.0° | 180.0° |
C25 | C23 | C21 | H5 | 179.6° | 180.0° |
H1 | C10 | C08 | H10 | 0.4° | 0.3° |
H5 | C21 | C23 | H11 | 0.4° | 0.1° |
H11 | C23 | C25 | H12 | 0.1° | 0.0° |
H13 | C30 | C32 | H14 | 169.4° | 175.3° |
H13 | C30 | C32 | H15 | 49.9° | 56.2° |
H16 | C36 | C38 | H17 | 0.1° | 0.0° |
H17 | C38 | C40 | H18 | 0.5° | 0.1° |
H18 | C40 | C42 | H19 | 0.2° | 0.1° |