L7Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O23 | C22 | doub | 1.22Å | 1.23Å | |
N15 | C14 | sing | 1.47Å | 1.46Å | |
N15 | C16 | sing | 1.40Å | 1.38Å | |
C21 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
C22 | C20 | sing | 1.48Å | 1.50Å | |
C22 | N24 | sing | 1.35Å | 1.39Å | |
C14 | C13 | sing | 1.51Å | 1.51Å | |
C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
C25 | N24 | sing | 1.47Å | 1.48Å | |
C25 | C26 | sing | 1.53Å | 1.52Å | |
C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
N24 | C29 | sing | 1.47Å | 1.48Å | |
C13 | C30 | doub | 1.36Å | 1.34Å | |
C13 | C11 | sing | 1.41Å | 1.46Å | |
C26 | O27 | sing | 1.43Å | 1.45Å | |
C30 | C08 | sing | 1.41Å | 1.44Å | |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
C03 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
CL | C02 | sing | 1.74Å | 1.80Å | |
C11 | O12 | doub | 1.22Å | 1.23Å | |
C11 | N10 | sing | 1.35Å | 1.38Å | |
C02 | C07 | doub | 1.38Å | 1.35Å | Aromatic |
C05 | C08 | sing | 1.48Å | 1.48Å | |
C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
C08 | C09 | doub | 1.36Å | 1.35Å | |
C29 | C28 | sing | 1.54Å | 1.53Å | |
O27 | C28 | sing | 1.43Å | 1.43Å | |
C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
N10 | C09 | sing | 1.36Å | 1.36Å | |
C03 | H1 | sing | 1.08Å | 1.08Å | |
C04 | H2 | sing | 1.08Å | 1.08Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
C14 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
N15 | H9 | sing | 0.97Å | 1.00Å | |
C17 | H10 | sing | 1.08Å | 1.08Å | |
C18 | H11 | sing | 1.08Å | 1.08Å | |
C19 | H12 | sing | 1.08Å | 1.08Å | |
C21 | H13 | sing | 1.08Å | 1.08Å | |
C25 | H14 | sing | 1.09Å | 1.10Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C26 | H16 | sing | 1.09Å | 1.10Å | |
C26 | H17 | sing | 1.09Å | 1.10Å | |
C28 | H18 | sing | 1.09Å | 1.10Å | |
C28 | H19 | sing | 1.09Å | 1.10Å | |
C29 | H20 | sing | 1.09Å | 1.10Å | |
C29 | H21 | sing | 1.09Å | 1.10Å | |
C30 | H22 | sing | 1.08Å | 1.08Å | |
N10 | H5 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O23 | C22 | C20 | 118.5° | 120.0° |
O23 | C22 | N24 | 122.4° | 120.0° |
C14 | N15 | C16 | 126.3° | 120.0° |
N15 | C14 | C13 | 112.3° | 109.5° |
N15 | C14 | H7 | 108.8° | 109.5° |
N15 | C14 | H8 | 108.8° | 109.4° |
C14 | N15 | H9 | 105.1° | 120.0° |
N15 | C16 | C21 | 120.2° | 120.0° |
N15 | C16 | C17 | 122.4° | 120.0° |
C16 | N15 | H9 | 105.1° | 120.0° |
C16 | C21 | C20 | 121.5° | 119.8° |
C21 | C16 | C17 | 117.5° | 120.0° |
C16 | C21 | H13 | 119.2° | 120.1° |
C21 | C20 | C22 | 117.5° | 120.1° |
C21 | C20 | C19 | 120.1° | 119.8° |
C20 | C21 | H13 | 119.2° | 120.2° |
C20 | C22 | N24 | 119.1° | 120.0° |
C22 | C20 | C19 | 122.4° | 120.1° |
C22 | N24 | C25 | 121.8° | 121.0° |
C22 | N24 | C29 | 128.9° | 121.0° |
C14 | C13 | C30 | 123.9° | 120.3° |
C14 | C13 | C11 | 116.2° | 120.3° |
C13 | C14 | H7 | 108.7° | 109.5° |
C13 | C14 | H8 | 108.8° | 109.4° |
C16 | C17 | C18 | 120.8° | 120.3° |
C16 | C17 | H10 | 119.6° | 119.9° |
N24 | C25 | C26 | 110.7° | 108.4° |
C25 | N24 | C29 | 109.2° | 118.0° |
N24 | C25 | H14 | 109.2° | 109.6° |
N24 | C25 | H15 | 109.2° | 109.7° |
C25 | C26 | O27 | 108.2° | 109.2° |
C26 | C25 | H14 | 109.1° | 109.6° |
C26 | C25 | H15 | 109.1° | 109.7° |
C25 | C26 | H16 | 109.8° | 109.5° |
C25 | C26 | H17 | 109.8° | 109.5° |
C20 | C19 | C18 | 118.8° | 120.0° |
C20 | C19 | H12 | 120.6° | 120.0° |
N24 | C29 | C28 | 110.4° | 108.2° |
N24 | C29 | H20 | 109.2° | 109.7° |
N24 | C29 | H21 | 109.3° | 109.7° |
C30 | C13 | C11 | 119.9° | 119.4° |
C13 | C30 | C08 | 122.9° | 119.1° |
C13 | C30 | H22 | 118.6° | 120.4° |
C13 | C11 | O12 | 125.2° | 119.8° |
C13 | C11 | N10 | 114.4° | 120.3° |
C26 | O27 | C28 | 110.6° | 114.2° |
O27 | C26 | H16 | 109.8° | 109.5° |
O27 | C26 | H17 | 109.8° | 109.5° |
C30 | C08 | C05 | 120.0° | 120.1° |
C30 | C08 | C09 | 116.8° | 119.7° |
C08 | C30 | H22 | 118.5° | 120.5° |
C17 | C18 | C19 | 121.3° | 120.2° |
C18 | C17 | H10 | 119.6° | 119.9° |
C17 | C18 | H11 | 119.4° | 119.9° |
C04 | C03 | C02 | 118.8° | 120.1° |
C03 | C04 | C05 | 120.0° | 120.0° |
C04 | C03 | H1 | 120.5° | 120.0° |
C03 | C04 | H2 | 120.0° | 120.0° |
C03 | C02 | CL | 118.7° | 119.9° |
C03 | C02 | C07 | 123.3° | 120.2° |
C02 | C03 | H1 | 120.6° | 119.9° |
C04 | C05 | C08 | 123.1° | 120.1° |
C04 | C05 | C06 | 118.5° | 119.8° |
C05 | C04 | H2 | 120.0° | 120.0° |
C19 | C18 | H11 | 119.3° | 119.9° |
C18 | C19 | H12 | 120.6° | 120.0° |
CL | C02 | C07 | 118.0° | 119.9° |
O12 | C11 | N10 | 120.3° | 119.9° |
C11 | N10 | C09 | 125.0° | 120.9° |
C11 | N10 | H5 | 117.5° | 119.5° |
C02 | C07 | C06 | 117.6° | 120.1° |
C02 | C07 | H4 | 121.2° | 120.0° |
C08 | C05 | C06 | 118.3° | 120.1° |
C05 | C08 | C09 | 123.1° | 120.2° |
C05 | C06 | C07 | 121.7° | 119.9° |
C05 | C06 | H3 | 119.2° | 120.1° |
C08 | C09 | N10 | 121.0° | 120.6° |
C08 | C09 | H6 | 119.5° | 119.6° |
C29 | C28 | O27 | 110.8° | 109.1° |
C29 | C28 | H18 | 109.1° | 109.7° |
C29 | C28 | H19 | 109.1° | 109.5° |
C28 | C29 | H20 | 109.2° | 109.9° |
C28 | C29 | H21 | 109.2° | 109.7° |
O27 | C28 | H18 | 109.1° | 109.5° |
O27 | C28 | H19 | 109.1° | 109.5° |
C07 | C06 | H3 | 119.1° | 120.0° |
C06 | C07 | H4 | 121.2° | 119.9° |
N10 | C09 | H6 | 119.5° | 119.8° |
C09 | N10 | H5 | 117.5° | 119.6° |
H7 | C14 | H8 | 109.5° | 109.5° |
H14 | C25 | H15 | 109.4° | 109.7° |
H16 | C26 | H17 | 109.5° | 109.6° |
H18 | C28 | H19 | 109.4° | 109.5° |
H20 | C29 | H21 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O23 | C22 | C20 | C21 | 52.4° | 141.7° |
O23 | C22 | C20 | N24 | 179.5° | 179.9° |
O23 | C22 | N24 | C25 | 1.4° | 6.1° |
O23 | C22 | C20 | C19 | 126.9° | 38.2° |
O23 | C22 | N24 | C29 | 178.2° | 174.2° |
C14 | N15 | C16 | H9 | 122.3° | 179.9° |
C14 | N15 | C16 | C21 | 147.7° | 179.8° |
N15 | C14 | C13 | H7 | 120.4° | 120.0° |
N15 | C14 | C13 | H8 | 120.4° | 120.0° |
C14 | N15 | C16 | C17 | 32.3° | 0.1° |
N15 | C14 | C13 | C30 | 22.0° | 95.0° |
N15 | C14 | C13 | C11 | 157.7° | 85.5° |
N15 | C14 | H7 | H8 | 118.7° | 120.0° |
N15 | C16 | C21 | C17 | 180.0° | 179.7° |
N15 | C16 | C21 | C20 | 179.8° | 179.8° |
C16 | N15 | C14 | C13 | 57.6° | 180.0° |
N15 | C16 | C17 | C18 | 179.8° | 180.0° |
C16 | N15 | C14 | H7 | 178.0° | 60.0° |
C16 | N15 | C14 | H8 | 62.9° | 60.0° |
N15 | C16 | C17 | H10 | 0.2° | 0.0° |
N15 | C16 | C21 | H13 | 0.2° | 0.0° |
C16 | C21 | C20 | H13 | 180.0° | 179.8° |
C16 | C21 | C20 | C22 | 179.8° | 179.7° |
C16 | C21 | C20 | C19 | 0.9° | 0.5° |
C21 | C16 | C17 | C18 | 0.2° | 0.3° |
C21 | C16 | N15 | H9 | 90.0° | 0.3° |
C21 | C16 | C17 | H10 | 179.8° | 179.7° |
C21 | C20 | C22 | C19 | 179.3° | 179.9° |
C21 | C20 | C22 | N24 | 128.1° | 38.2° |
C20 | C21 | C16 | C17 | 0.3° | 0.5° |
C21 | C20 | C19 | C18 | 1.1° | 0.2° |
C21 | C20 | C19 | H12 | 178.9° | 179.9° |
C20 | C22 | N24 | C25 | 179.1° | 173.8° |
C20 | C22 | N24 | C29 | 2.4° | 5.9° |
C22 | C20 | C19 | C18 | 179.6° | 179.9° |
C22 | C20 | C19 | H12 | 0.4° | 0.0° |
C22 | C20 | C21 | H13 | 0.2° | 0.1° |
C22 | N24 | C25 | C29 | 177.3° | 179.7° |
C22 | N24 | C25 | C26 | 124.6° | 129.5° |
N24 | C22 | C20 | C19 | 52.6° | 141.9° |
C22 | N24 | C29 | C28 | 127.9° | 129.4° |
C22 | N24 | C25 | H14 | 4.4° | 9.8° |
C22 | N24 | C25 | H15 | 115.2° | 110.8° |
C22 | N24 | C29 | H20 | 111.9° | 110.8° |
C22 | N24 | C29 | H21 | 7.8° | 9.7° |
C14 | C13 | C30 | C11 | 179.7° | 179.6° |
C14 | C13 | C30 | C08 | 179.0° | 180.0° |
C14 | C13 | C11 | O12 | 0.6° | 0.2° |
C14 | C13 | C11 | N10 | 179.5° | 179.7° |
C13 | C14 | H7 | H8 | 118.7° | 120.0° |
C13 | C14 | N15 | H9 | 179.8° | 0.1° |
C14 | C13 | C30 | H22 | 1.0° | 0.5° |
C16 | C17 | C18 | H10 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.0° | 0.1° |
C17 | C16 | N15 | H9 | 90.0° | 180.0° |
C16 | C17 | C18 | H11 | 179.9° | 180.0° |
C17 | C16 | C21 | H13 | 179.7° | 179.7° |
N24 | C25 | C26 | H14 | 120.2° | 119.7° |
N24 | C25 | C26 | H15 | 120.2° | 119.8° |
N24 | C25 | C26 | O27 | 60.8° | 52.3° |
C25 | N24 | C29 | C28 | 55.0° | 50.9° |
N24 | C25 | H14 | H15 | 119.5° | 120.6° |
N24 | C25 | C26 | H16 | 59.0° | 67.6° |
N24 | C25 | C26 | H17 | 179.4° | 172.2° |
C25 | N24 | C29 | H20 | 65.2° | 68.9° |
C25 | N24 | C29 | H21 | 175.1° | 170.5° |
C26 | C25 | N24 | C29 | 58.1° | 50.8° |
C25 | C26 | O27 | H16 | 119.8° | 119.9° |
C25 | C26 | O27 | H17 | 119.8° | 119.9° |
C25 | C26 | O27 | C28 | 61.4° | 62.6° |
C26 | C25 | H14 | H15 | 119.4° | 120.5° |
C25 | C26 | H16 | H17 | 120.6° | 120.2° |
C20 | C19 | C18 | C17 | 0.7° | 0.0° |
C20 | C19 | C18 | H12 | 180.0° | 179.9° |
C20 | C19 | C18 | H11 | 179.3° | 180.0° |
C19 | C20 | C21 | H13 | 179.1° | 179.7° |
N24 | C29 | C28 | H20 | 120.1° | 119.7° |
N24 | C29 | C28 | H21 | 120.2° | 119.6° |
N24 | C29 | C28 | O27 | 56.5° | 52.6° |
C29 | N24 | C25 | H14 | 178.3° | 170.5° |
C29 | N24 | C25 | H15 | 62.1° | 68.9° |
N24 | C29 | C28 | H18 | 176.7° | 67.4° |
N24 | C29 | C28 | H19 | 63.7° | 172.4° |
N24 | C29 | H20 | H21 | 119.6° | 120.5° |
C13 | C30 | C08 | H22 | 180.0° | 179.5° |
C30 | C13 | C11 | O12 | 179.7° | 179.8° |
C30 | C13 | C11 | N10 | 0.2° | 0.2° |
C13 | C30 | C08 | C05 | 177.8° | 179.8° |
C13 | C30 | C08 | C09 | 0.9° | 0.6° |
C30 | C13 | C14 | H7 | 98.4° | 145.0° |
C30 | C13 | C14 | H8 | 142.5° | 25.0° |
C11 | C13 | C30 | C08 | 0.7° | 0.5° |
C13 | C11 | O12 | N10 | 179.9° | 179.9° |
C13 | C11 | N10 | C09 | 0.1° | 0.1° |
C11 | C13 | C14 | H7 | 81.8° | 34.5° |
C11 | C13 | C14 | H8 | 37.3° | 154.6° |
C11 | C13 | C30 | H22 | 179.3° | 180.0° |
C13 | C11 | N10 | H5 | 179.9° | 180.0° |
C26 | O27 | C28 | C29 | 60.0° | 62.7° |
O27 | C26 | C25 | H14 | 179.0° | 172.0° |
O27 | C26 | C25 | H15 | 59.5° | 67.5° |
O27 | C26 | H16 | H17 | 120.6° | 120.1° |
C26 | O27 | C28 | H18 | 179.8° | 57.3° |
C26 | O27 | C28 | H19 | 60.2° | 177.5° |
C30 | C08 | C05 | C04 | 28.0° | 115.4° |
C30 | C08 | C05 | C09 | 176.6° | 179.7° |
C30 | C08 | C05 | C06 | 148.1° | 64.7° |
C30 | C08 | C09 | N10 | 0.8° | 0.4° |
C30 | C08 | C09 | H6 | 179.3° | 179.7° |
C17 | C18 | C19 | H11 | 180.0° | 180.0° |
C17 | C18 | C19 | H12 | 179.4° | 179.9° |
C04 | C03 | C02 | H1 | 180.0° | 180.0° |
C03 | C04 | C05 | H2 | 180.0° | 179.9° |
C04 | C03 | C02 | CL | 179.7° | 180.0° |
C04 | C03 | C02 | C07 | 0.3° | 0.2° |
C03 | C04 | C05 | C08 | 177.8° | 180.0° |
C03 | C04 | C05 | C06 | 1.6° | 0.1° |
C02 | C03 | C04 | C05 | 0.5° | 0.1° |
C03 | C02 | CL | C07 | 179.5° | 179.8° |
C03 | C02 | C07 | C06 | 0.1° | 0.5° |
C02 | C03 | C04 | H2 | 179.5° | 179.9° |
C03 | C02 | C07 | H4 | 179.9° | 179.7° |
C04 | C05 | C08 | C06 | 176.2° | 179.9° |
C04 | C05 | C08 | C09 | 155.4° | 65.0° |
C04 | C05 | C06 | C07 | 2.1° | 0.2° |
C05 | C04 | C03 | H1 | 179.5° | 180.0° |
C04 | C05 | C06 | H3 | 177.9° | 180.0° |
C19 | C18 | C17 | H10 | 180.0° | 180.0° |
CL | C02 | C07 | C06 | 179.3° | 179.8° |
CL | C02 | C03 | H1 | 0.3° | 0.0° |
CL | C02 | C07 | H4 | 0.7° | 0.0° |
O12 | C11 | N10 | C09 | 179.8° | 180.0° |
O12 | C11 | N10 | H5 | 0.2° | 0.1° |
C11 | N10 | C09 | C08 | 0.4° | 0.0° |
C11 | N10 | C09 | H5 | 180.0° | 180.0° |
C11 | N10 | C09 | H6 | 179.7° | 180.0° |
C02 | C07 | C06 | C05 | 1.3° | 0.4° |
C02 | C07 | C06 | H4 | 180.0° | 179.8° |
C07 | C02 | C03 | H1 | 179.8° | 179.8° |
C02 | C07 | C06 | H3 | 178.7° | 179.7° |
C08 | C05 | C06 | C07 | 178.4° | 179.8° |
C05 | C08 | C09 | N10 | 177.5° | 180.0° |
C08 | C05 | C04 | H2 | 2.2° | 0.1° |
C08 | C05 | C06 | H3 | 1.6° | 0.1° |
C05 | C08 | C09 | H6 | 2.6° | 0.1° |
C05 | C08 | C30 | H22 | 2.2° | 0.3° |
C06 | C05 | C08 | C09 | 28.5° | 114.9° |
C05 | C06 | C07 | H3 | 180.0° | 179.8° |
C06 | C05 | C04 | H2 | 178.3° | 180.0° |
C05 | C06 | C07 | H4 | 178.7° | 179.8° |
C08 | C09 | N10 | H6 | 180.0° | 179.9° |
C09 | C08 | C30 | H22 | 179.0° | 179.9° |
C08 | C09 | N10 | H5 | 179.6° | 179.9° |
C29 | C28 | O27 | H18 | 120.2° | 120.1° |
C29 | C28 | O27 | H19 | 120.2° | 119.8° |
C29 | C28 | H18 | H19 | 119.4° | 120.2° |
C28 | C29 | H20 | H21 | 119.6° | 120.7° |
C28 | O27 | C26 | H16 | 58.4° | 57.3° |
C28 | O27 | C26 | H17 | 178.8° | 177.5° |
O27 | C28 | H18 | H19 | 119.4° | 120.1° |
O27 | C28 | C29 | H20 | 63.6° | 67.1° |
O27 | C28 | C29 | H21 | 176.7° | 172.2° |
H1 | C03 | C04 | H2 | 0.5° | 0.1° |
H3 | C06 | C07 | H4 | 1.3° | 0.0° |
H6 | C09 | N10 | H5 | 0.4° | 0.0° |
H7 | C14 | N15 | H9 | 59.8° | 120.0° |
H8 | C14 | N15 | H9 | 59.4° | 120.0° |
H10 | C17 | C18 | H11 | 0.0° | 0.0° |
H11 | C18 | C19 | H12 | 0.7° | 0.1° |
H14 | C25 | C26 | H16 | 61.2° | 52.1° |
H14 | C25 | C26 | H17 | 59.2° | 68.1° |
H15 | C25 | C26 | H16 | 179.3° | 172.7° |
H15 | C25 | C26 | H17 | 60.3° | 52.5° |
H18 | C28 | C29 | H20 | 56.6° | 172.9° |
H18 | C28 | C29 | H21 | 63.1° | 52.2° |
H19 | C28 | C29 | H20 | 176.2° | 52.7° |
H19 | C28 | C29 | H21 | 56.5° | 68.0° |