L1V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O19 | C17 | doub | 1.21Å | 1.24Å | |
O10 | C09 | doub | 1.21Å | 1.16Å | |
C17 | C16 | sing | 1.51Å | 1.51Å | |
C17 | O18 | sing | 1.34Å | 1.26Å | |
C12 | C16 | sing | 1.53Å | 1.57Å | |
C12 | C15 | sing | 1.55Å | 1.63Å | |
C12 | C11 | sing | 1.55Å | 1.34Å | |
C09 | C11 | sing | 1.51Å | 1.56Å | |
C09 | C06 | sing | 1.47Å | 1.58Å | |
C15 | C14 | sing | 1.55Å | 1.57Å | |
C01 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
C01 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | C13 | sing | 1.54Å | 1.68Å | |
C13 | C14 | sing | 1.54Å | 1.37Å | |
C06 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
C02 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
C03 | C07 | sing | 1.48Å | 1.52Å | |
O20 | C07 | doub | 1.21Å | 1.26Å | |
C07 | O08 | sing | 1.35Å | 1.26Å | |
C14 | H1 | sing | 1.09Å | 1.10Å | |
C14 | H2 | sing | 1.09Å | 1.10Å | |
C11 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.08Å | 1.08Å | |
C02 | H6 | sing | 1.08Å | 1.08Å | |
C04 | H7 | sing | 1.08Å | 1.08Å | |
C05 | H8 | sing | 1.08Å | 1.08Å | |
O08 | H9 | sing | 0.97Å | 0.95Å | |
C16 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C15 | H14 | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
O18 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O19 | C17 | C16 | 119.6° | 120.0° |
O19 | C17 | O18 | 120.8° | 120.0° |
O10 | C09 | C11 | 122.0° | 120.0° |
O10 | C09 | C06 | 117.7° | 120.1° |
C16 | C17 | O18 | 119.6° | 120.0° |
C17 | C16 | C12 | 107.5° | 109.5° |
C17 | C16 | H10 | 110.0° | 109.4° |
C17 | C16 | H11 | 110.0° | 109.5° |
C17 | O18 | H16 | 109.5° | 116.9° |
C16 | C12 | C15 | 107.5° | 110.5° |
C16 | C12 | C11 | 111.6° | 110.5° |
C16 | C12 | H4 | 109.8° | 110.5° |
C12 | C16 | H10 | 109.9° | 109.5° |
C12 | C16 | H11 | 109.9° | 109.5° |
C15 | C12 | C11 | 105.2° | 104.1° |
C12 | C15 | C14 | 103.4° | 102.8° |
C15 | C12 | H4 | 109.0° | 110.5° |
C12 | C15 | H14 | 111.0° | 110.8° |
C12 | C15 | H15 | 111.0° | 110.7° |
C12 | C11 | C09 | 113.0° | 110.2° |
C12 | C11 | C13 | 102.6° | 106.5° |
C12 | C11 | H3 | 114.6° | 110.0° |
C11 | C12 | H4 | 113.4° | 110.6° |
C11 | C09 | C06 | 120.2° | 120.0° |
C09 | C11 | C13 | 105.3° | 110.0° |
C09 | C11 | H3 | 111.0° | 110.0° |
C09 | C06 | C01 | 119.8° | 120.0° |
C09 | C06 | C05 | 118.6° | 120.1° |
C15 | C14 | C13 | 107.2° | 104.3° |
C15 | C14 | H1 | 110.0° | 110.5° |
C15 | C14 | H2 | 110.0° | 110.5° |
C14 | C15 | H14 | 111.0° | 110.8° |
C14 | C15 | H15 | 111.0° | 110.7° |
C06 | C01 | C02 | 118.8° | 120.0° |
C01 | C06 | C05 | 121.6° | 119.9° |
C06 | C01 | H5 | 120.6° | 120.0° |
C01 | C02 | C03 | 120.2° | 120.0° |
C02 | C01 | H5 | 120.6° | 120.0° |
C01 | C02 | H6 | 119.9° | 120.0° |
C11 | C13 | C14 | 106.7° | 106.6° |
C13 | C11 | H3 | 109.5° | 110.0° |
C11 | C13 | H12 | 110.2° | 110.0° |
C11 | C13 | H13 | 110.2° | 110.0° |
C13 | C14 | H1 | 110.0° | 110.4° |
C13 | C14 | H2 | 110.0° | 110.5° |
C14 | C13 | H12 | 110.2° | 110.1° |
C14 | C13 | H13 | 110.1° | 110.1° |
C06 | C05 | C04 | 119.2° | 120.0° |
C06 | C05 | H8 | 120.4° | 120.0° |
C02 | C03 | C04 | 120.7° | 120.0° |
C02 | C03 | C07 | 120.4° | 120.0° |
C03 | C02 | H6 | 119.9° | 120.0° |
C05 | C04 | C03 | 119.4° | 120.0° |
C05 | C04 | H7 | 120.3° | 120.0° |
C04 | C05 | H8 | 120.4° | 120.0° |
C04 | C03 | C07 | 118.8° | 120.0° |
C03 | C04 | H7 | 120.3° | 120.0° |
C03 | C07 | O20 | 119.6° | 120.0° |
C03 | C07 | O08 | 119.4° | 120.0° |
O20 | C07 | O08 | 120.9° | 120.0° |
C07 | O08 | H9 | 109.5° | 117.0° |
H1 | C14 | H2 | 109.5° | 110.4° |
H10 | C16 | H11 | 109.5° | 109.5° |
H12 | C13 | H13 | 109.5° | 110.1° |
H14 | C15 | H15 | 109.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O19 | C17 | C16 | O18 | 178.3° | 179.9° |
O19 | C17 | C16 | C12 | 68.7° | 0.1° |
O19 | C17 | C16 | H10 | 171.6° | 120.1° |
O19 | C17 | C16 | H11 | 51.0° | 120.0° |
O19 | C17 | O18 | H16 | 0.0° | 0.0° |
O10 | C09 | C11 | C12 | 20.7° | 23.6° |
O10 | C09 | C11 | C06 | 178.8° | 179.9° |
O10 | C09 | C06 | C01 | 9.7° | 0.0° |
O10 | C09 | C11 | C13 | 90.6° | 93.6° |
O10 | C09 | C06 | C05 | 169.7° | 180.0° |
O10 | C09 | C11 | H3 | 151.0° | 145.0° |
C17 | C16 | C12 | H10 | 119.7° | 120.0° |
C17 | C16 | C12 | H11 | 119.7° | 120.0° |
C17 | C16 | C12 | C15 | 167.8° | 66.5° |
C17 | C16 | C12 | C11 | 77.3° | 178.8° |
C17 | C16 | C12 | H4 | 49.3° | 56.1° |
C17 | C16 | H10 | H11 | 120.9° | 119.9° |
C16 | C17 | O18 | H16 | 178.3° | 179.9° |
O18 | C17 | C16 | C12 | 109.6° | 180.0° |
O18 | C17 | C16 | H10 | 10.1° | 60.0° |
O18 | C17 | C16 | H11 | 130.7° | 60.0° |
C16 | C12 | C15 | C11 | 119.1° | 118.7° |
C16 | C12 | C15 | H4 | 119.0° | 122.6° |
C16 | C12 | C11 | H4 | 124.7° | 122.6° |
C16 | C12 | C11 | C09 | 94.0° | 98.5° |
C16 | C12 | C15 | C14 | 146.5° | 156.6° |
C16 | C12 | C11 | C13 | 153.0° | 142.2° |
C16 | C12 | C11 | H3 | 34.4° | 23.0° |
C12 | C16 | H10 | H11 | 120.9° | 120.1° |
C16 | C12 | C15 | H14 | 27.5° | 85.0° |
C16 | C12 | C15 | H15 | 94.5° | 38.3° |
C15 | C12 | C11 | H4 | 119.1° | 118.7° |
C15 | C12 | C11 | C09 | 149.7° | 142.8° |
C12 | C15 | C14 | H14 | 119.0° | 118.4° |
C12 | C15 | C14 | H15 | 119.0° | 118.3° |
C15 | C12 | C11 | C13 | 36.8° | 23.5° |
C12 | C15 | C14 | C13 | 2.1° | 38.0° |
C12 | C15 | C14 | H1 | 121.7° | 80.7° |
C12 | C15 | C14 | H2 | 117.5° | 156.8° |
C15 | C12 | C11 | H3 | 81.8° | 95.7° |
C15 | C12 | C16 | H10 | 72.4° | 53.5° |
C15 | C12 | C16 | H11 | 48.1° | 173.5° |
C12 | C15 | H14 | H15 | 122.8° | 123.3° |
C12 | C11 | C09 | C13 | 111.3° | 117.1° |
C12 | C11 | C09 | H3 | 130.3° | 121.5° |
C12 | C11 | C09 | C06 | 160.5° | 156.4° |
C11 | C12 | C15 | C14 | 27.4° | 37.9° |
C12 | C11 | C13 | H3 | 122.1° | 119.2° |
C12 | C11 | C13 | C14 | 37.7° | 0.1° |
C11 | C12 | C16 | H10 | 42.4° | 61.2° |
C11 | C12 | C16 | H11 | 163.0° | 58.8° |
C12 | C11 | C13 | H12 | 81.9° | 119.2° |
C12 | C11 | C13 | H13 | 157.2° | 119.4° |
C11 | C12 | C15 | H14 | 91.6° | 156.3° |
C11 | C12 | C15 | H15 | 146.4° | 80.4° |
C11 | C09 | C06 | C01 | 171.4° | 180.0° |
C09 | C11 | C13 | H3 | 119.4° | 121.4° |
C09 | C11 | C13 | C14 | 156.1° | 119.3° |
C11 | C09 | C06 | C05 | 9.1° | 0.0° |
C09 | C11 | C12 | H4 | 30.6° | 24.1° |
C09 | C11 | C13 | H12 | 36.6° | 121.4° |
C09 | C11 | C13 | H13 | 84.3° | 0.0° |
C09 | C06 | C01 | C05 | 179.5° | 180.0° |
C09 | C06 | C01 | C02 | 179.3° | 180.0° |
C06 | C09 | C11 | C13 | 88.2° | 86.5° |
C09 | C06 | C05 | C04 | 179.7° | 180.0° |
C06 | C09 | C11 | H3 | 30.2° | 34.9° |
C09 | C06 | C01 | H5 | 0.7° | 0.2° |
C09 | C06 | C05 | H8 | 0.3° | 0.0° |
C15 | C14 | C13 | C11 | 18.7° | 23.7° |
C15 | C14 | C13 | H1 | 119.6° | 118.7° |
C15 | C14 | C13 | H2 | 119.6° | 118.8° |
C15 | C14 | H1 | H2 | 121.1° | 122.6° |
C14 | C15 | C12 | H4 | 94.5° | 80.8° |
C15 | C14 | C13 | H12 | 100.9° | 95.6° |
C15 | C14 | C13 | H13 | 138.2° | 142.9° |
C14 | C15 | H14 | H15 | 122.8° | 123.3° |
C06 | C01 | C02 | H5 | 180.0° | 179.8° |
C06 | C01 | C02 | C03 | 0.0° | 0.0° |
C01 | C06 | C05 | C04 | 0.2° | 0.1° |
C06 | C01 | C02 | H6 | 180.0° | 180.0° |
C01 | C06 | C05 | H8 | 179.8° | 180.0° |
C02 | C01 | C06 | C05 | 0.2° | 0.0° |
C01 | C02 | C03 | H6 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.6° | 0.0° |
C01 | C02 | C03 | C07 | 178.0° | 180.0° |
C11 | C13 | C14 | H12 | 119.6° | 119.2° |
C11 | C13 | C14 | H13 | 119.6° | 119.3° |
C11 | C13 | C14 | H1 | 100.9° | 95.1° |
C11 | C13 | C14 | H2 | 138.3° | 142.5° |
C13 | C11 | C12 | H4 | 82.3° | 95.2° |
C11 | C13 | H12 | H13 | 121.3° | 121.4° |
C13 | C14 | H1 | H2 | 121.1° | 122.5° |
C14 | C13 | C11 | H3 | 84.4° | 119.3° |
C14 | C13 | H12 | H13 | 121.3° | 121.5° |
C13 | C14 | C15 | H14 | 116.9° | 156.4° |
C13 | C14 | C15 | H15 | 121.2° | 80.3° |
C06 | C05 | C04 | H8 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.8° | 0.0° |
C05 | C06 | C01 | H5 | 179.8° | 179.8° |
C06 | C05 | C04 | H7 | 179.2° | 179.9° |
C02 | C03 | C04 | C05 | 1.0° | 0.0° |
C02 | C03 | C04 | C07 | 177.4° | 180.0° |
C02 | C03 | C07 | O20 | 25.1° | 0.0° |
C02 | C03 | C07 | O08 | 159.1° | 180.0° |
C03 | C02 | C01 | H5 | 180.0° | 179.8° |
C02 | C03 | C04 | H7 | 179.0° | 180.0° |
C05 | C04 | C03 | H7 | 180.0° | 180.0° |
C05 | C04 | C03 | C07 | 178.4° | 180.0° |
C04 | C03 | C07 | O20 | 152.3° | 180.0° |
C04 | C03 | C07 | O08 | 23.5° | 0.0° |
C04 | C03 | C02 | H6 | 179.4° | 180.0° |
C03 | C04 | C05 | H8 | 179.2° | 180.0° |
C03 | C07 | O20 | O08 | 175.7° | 180.0° |
C07 | C03 | C02 | H6 | 2.0° | 0.0° |
C07 | C03 | C04 | H7 | 1.6° | 0.0° |
C03 | C07 | O08 | H9 | 175.8° | 180.0° |
O20 | C07 | O08 | H9 | 0.0° | 0.0° |
H1 | C14 | C13 | H12 | 139.5° | 145.7° |
H1 | C14 | C13 | H13 | 18.6° | 24.2° |
H1 | C14 | C15 | H14 | 2.7° | 37.7° |
H1 | C14 | C15 | H15 | 119.2° | 161.0° |
H2 | C14 | C13 | H12 | 18.8° | 23.2° |
H2 | C14 | C13 | H13 | 102.1° | 98.3° |
H2 | C14 | C15 | H14 | 123.5° | 84.9° |
H2 | C14 | C15 | H15 | 1.5° | 38.5° |
H3 | C11 | C12 | H4 | 159.1° | 145.6° |
H3 | C11 | C13 | H12 | 156.0° | 0.0° |
H3 | C11 | C13 | H13 | 35.1° | 121.4° |
H4 | C12 | C16 | H10 | 169.1° | 176.1° |
H4 | C12 | C16 | H11 | 70.4° | 63.9° |
H4 | C12 | C15 | H14 | 146.5° | 37.6° |
H4 | C12 | C15 | H15 | 24.5° | 160.9° |
H5 | C01 | C02 | H6 | 0.0° | 0.2° |
H7 | C04 | C05 | H8 | 0.8° | 0.0° |