WLG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F01 | C02 | sing | 1.40Å | 1.35Å | |
F03 | C02 | sing | 1.40Å | 1.35Å | |
C02 | O04 | sing | 1.43Å | 1.40Å | |
O04 | C05 | sing | 1.43Å | 1.41Å | |
C05 | C06 | sing | 1.51Å | 1.53Å | |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C14 | C12 | sing | 1.53Å | 1.53Å | |
C13 | C12 | sing | 1.53Å | 1.53Å | |
C06 | O07 | doub | 1.21Å | 1.19Å | |
C06 | N08 | sing | 1.35Å | 1.47Å | |
C15 | C12 | sing | 1.53Å | 1.54Å | |
C15 | N08 | sing | 1.47Å | 1.51Å | |
C12 | C11 | sing | 1.53Å | 1.50Å | |
N08 | C09 | sing | 1.47Å | 1.51Å | |
C11 | C10 | sing | 1.53Å | 1.48Å | |
C09 | C10 | sing | 1.53Å | 1.53Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C02 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.09Å | 1.10Å | |
C09 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F01 | C02 | F03 | 107.0° | 109.5° |
F01 | C02 | O04 | 112.8° | 109.5° |
F01 | C02 | H7 | 109.4° | 109.5° |
F03 | C02 | O04 | 109.5° | 109.4° |
F03 | C02 | H7 | 109.5° | 109.4° |
C02 | O04 | C05 | 115.8° | 114.0° |
O04 | C02 | H7 | 108.7° | 109.5° |
O04 | C05 | C06 | 106.8° | 109.5° |
O04 | C05 | H8 | 110.1° | 109.5° |
O04 | C05 | H9 | 110.1° | 109.4° |
C05 | C06 | O07 | 119.6° | 120.0° |
C05 | C06 | N08 | 119.7° | 120.0° |
C06 | C05 | H8 | 110.1° | 109.5° |
C06 | C05 | H9 | 110.1° | 109.5° |
C13 | C14 | C12 | 60.0° | 59.9° |
C14 | C13 | C12 | 60.0° | 60.0° |
C14 | C13 | H3 | 120.0° | 117.5° |
C14 | C13 | H4 | 120.0° | 117.6° |
C13 | C14 | H14 | 120.0° | 117.5° |
C13 | C14 | H15 | 120.0° | 117.5° |
C14 | C12 | C13 | 60.0° | 60.1° |
C14 | C12 | C15 | 115.5° | 117.7° |
C14 | C12 | C11 | 110.7° | 117.8° |
C12 | C14 | H14 | 120.0° | 117.5° |
C12 | C14 | H15 | 120.0° | 117.5° |
C13 | C12 | C15 | 125.3° | 117.7° |
C13 | C12 | C11 | 116.6° | 117.9° |
C12 | C13 | H3 | 120.0° | 117.5° |
C12 | C13 | H4 | 120.0° | 117.5° |
O07 | C06 | N08 | 120.8° | 120.0° |
C06 | N08 | C15 | 124.5° | 120.7° |
C06 | N08 | C09 | 122.6° | 120.7° |
C12 | C15 | N08 | 115.5° | 108.1° |
C15 | C12 | C11 | 114.9° | 114.8° |
C12 | C15 | H5 | 107.9° | 109.7° |
C12 | C15 | H6 | 107.9° | 109.7° |
C15 | N08 | C09 | 112.9° | 118.6° |
N08 | C15 | H5 | 108.0° | 109.7° |
N08 | C15 | H6 | 107.9° | 109.8° |
C12 | C11 | C10 | 114.0° | 109.0° |
C12 | C11 | H12 | 108.3° | 109.5° |
C12 | C11 | H13 | 108.4° | 109.6° |
N08 | C09 | C10 | 114.4° | 109.3° |
N08 | C09 | H10 | 108.2° | 109.6° |
N08 | C09 | H11 | 108.2° | 109.6° |
C11 | C10 | C09 | 112.2° | 109.4° |
C11 | C10 | H1 | 108.8° | 109.5° |
C11 | C10 | H2 | 108.8° | 109.5° |
C10 | C11 | H12 | 108.3° | 109.6° |
C10 | C11 | H13 | 108.3° | 109.6° |
C09 | C10 | H1 | 108.8° | 109.5° |
C09 | C10 | H2 | 108.8° | 109.5° |
C10 | C09 | H10 | 108.2° | 109.5° |
C10 | C09 | H11 | 108.2° | 109.4° |
H1 | C10 | H2 | 109.4° | 109.5° |
H3 | C13 | H4 | 109.4° | 115.6° |
H5 | C15 | H6 | 109.5° | 109.8° |
H8 | C05 | H9 | 109.4° | 109.4° |
H10 | C09 | H11 | 109.4° | 109.5° |
H12 | C11 | H13 | 109.5° | 109.5° |
H14 | C14 | H15 | 109.5° | 115.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F01 | C02 | F03 | O04 | 122.5° | 120.0° |
F01 | C02 | F03 | H7 | 118.5° | 120.0° |
F01 | C02 | O04 | H7 | 121.5° | 120.1° |
F01 | C02 | O04 | C05 | 69.8° | 60.0° |
F03 | C02 | O04 | H7 | 119.6° | 120.0° |
F03 | C02 | O04 | C05 | 49.1° | 60.0° |
C02 | O04 | C05 | C06 | 167.6° | 180.0° |
C02 | O04 | C05 | H8 | 72.8° | 60.0° |
C02 | O04 | C05 | H9 | 48.0° | 60.0° |
O04 | C05 | C06 | H8 | 119.6° | 120.0° |
O04 | C05 | C06 | H9 | 119.6° | 120.0° |
O04 | C05 | C06 | O07 | 0.3° | 0.0° |
O04 | C05 | C06 | N08 | 179.7° | 180.0° |
C05 | O04 | C02 | H7 | 168.7° | 180.0° |
O04 | C05 | H8 | H9 | 121.2° | 120.0° |
C05 | C06 | O07 | N08 | 179.5° | 180.0° |
C05 | C06 | N08 | C15 | 0.6° | 180.0° |
C05 | C06 | N08 | C09 | 179.7° | 0.0° |
C06 | C05 | H8 | H9 | 121.2° | 120.0° |
C13 | C14 | C12 | H14 | 109.5° | 107.5° |
C13 | C14 | C12 | H15 | 109.5° | 107.4° |
C14 | C13 | C12 | H3 | 109.5° | 107.4° |
C14 | C13 | C12 | H4 | 109.5° | 107.5° |
C14 | C13 | C12 | C15 | 101.5° | 107.7° |
C13 | C14 | C12 | C11 | 109.5° | 107.9° |
C14 | C13 | H3 | H4 | 144.7° | 145.7° |
C13 | C14 | H14 | H15 | 144.7° | 145.8° |
C14 | C12 | C15 | C11 | 130.9° | 145.4° |
C14 | C12 | C15 | N08 | 86.1° | 96.8° |
C14 | C12 | C11 | C10 | 131.9° | 90.3° |
C14 | C12 | C15 | H5 | 34.8° | 22.8° |
C14 | C12 | C15 | H6 | 153.0° | 143.5° |
C14 | C12 | C11 | H12 | 107.5° | 29.6° |
C14 | C12 | C11 | H13 | 11.2° | 149.7° |
C12 | C14 | H14 | H15 | 144.7° | 145.7° |
C13 | C12 | C15 | C11 | 159.1° | 145.7° |
C13 | C12 | C15 | N08 | 156.2° | 165.8° |
C13 | C12 | C11 | C10 | 162.3° | 159.3° |
C12 | C13 | H3 | H4 | 144.7° | 145.7° |
C13 | C12 | C15 | H5 | 35.3° | 46.2° |
C13 | C12 | C15 | H6 | 83.0° | 74.6° |
C13 | C12 | C11 | H12 | 41.6° | 39.4° |
C13 | C12 | C11 | H13 | 77.0° | 80.7° |
O07 | C06 | N08 | C15 | 180.0° | 0.0° |
O07 | C06 | N08 | C09 | 0.3° | 179.9° |
O07 | C06 | C05 | H8 | 119.9° | 120.0° |
O07 | C06 | C05 | H9 | 119.3° | 120.0° |
C06 | N08 | C15 | C12 | 144.0° | 129.7° |
C06 | N08 | C15 | C09 | 179.7° | 179.9° |
C06 | N08 | C09 | C10 | 167.5° | 123.5° |
C06 | N08 | C15 | H5 | 23.1° | 10.1° |
C06 | N08 | C15 | H6 | 95.1° | 110.6° |
N08 | C06 | C05 | H8 | 60.7° | 60.0° |
N08 | C06 | C05 | H9 | 60.1° | 60.0° |
C06 | N08 | C09 | H10 | 71.8° | 116.6° |
C06 | N08 | C09 | H11 | 46.7° | 3.6° |
C12 | C15 | N08 | H5 | 120.9° | 119.6° |
C12 | C15 | N08 | H6 | 120.9° | 119.6° |
C12 | C15 | N08 | C09 | 36.3° | 50.4° |
C15 | C12 | C11 | C10 | 1.2° | 55.0° |
C15 | C12 | C13 | H3 | 8.0° | 144.9° |
C15 | C12 | C13 | H4 | 149.0° | 0.1° |
C12 | C15 | H5 | H6 | 117.2° | 120.7° |
C15 | C12 | C11 | H12 | 119.4° | 174.9° |
C15 | C12 | C11 | H13 | 121.9° | 64.9° |
C15 | C12 | C14 | H14 | 132.8° | 144.7° |
C15 | C12 | C14 | H15 | 8.2° | 0.3° |
N08 | C15 | C12 | C11 | 44.7° | 48.6° |
C15 | N08 | C09 | C10 | 12.3° | 56.6° |
N08 | C15 | H5 | H6 | 117.3° | 120.7° |
C15 | N08 | C09 | H10 | 108.5° | 63.4° |
C15 | N08 | C09 | H11 | 133.0° | 176.5° |
C12 | C11 | C10 | H12 | 120.6° | 119.9° |
C12 | C11 | C10 | H13 | 120.7° | 120.0° |
C12 | C11 | C10 | C09 | 47.2° | 57.9° |
C12 | C11 | C10 | H1 | 73.2° | 62.0° |
C12 | C11 | C10 | H2 | 167.6° | 177.9° |
C11 | C12 | C13 | H3 | 150.8° | 0.3° |
C11 | C12 | C13 | H4 | 9.8° | 144.8° |
C11 | C12 | C15 | H5 | 165.6° | 168.1° |
C11 | C12 | C15 | H6 | 76.2° | 71.1° |
C12 | C11 | H12 | H13 | 118.0° | 120.2° |
C11 | C12 | C14 | H14 | 0.0° | 0.4° |
C11 | C12 | C14 | H15 | 141.1° | 144.7° |
N08 | C09 | C10 | C11 | 55.6° | 57.8° |
N08 | C09 | C10 | H10 | 120.7° | 120.0° |
N08 | C09 | C10 | H11 | 120.7° | 120.0° |
N08 | C09 | C10 | H1 | 64.8° | 62.2° |
N08 | C09 | C10 | H2 | 176.0° | 177.7° |
C09 | N08 | C15 | H5 | 157.2° | 170.0° |
C09 | N08 | C15 | H6 | 84.6° | 69.3° |
N08 | C09 | H10 | H11 | 117.7° | 120.2° |
C11 | C10 | C09 | H1 | 120.4° | 120.0° |
C11 | C10 | C09 | H2 | 120.4° | 120.0° |
C11 | C10 | H1 | H2 | 118.7° | 120.0° |
C11 | C10 | C09 | H10 | 65.1° | 62.3° |
C11 | C10 | C09 | H11 | 176.4° | 177.7° |
C10 | C11 | H12 | H13 | 117.9° | 120.2° |
C09 | C10 | H1 | H2 | 118.7° | 120.1° |
C10 | C09 | H10 | H11 | 117.8° | 120.0° |
C09 | C10 | C11 | H12 | 167.8° | 177.8° |
C09 | C10 | C11 | H13 | 73.5° | 62.0° |
H1 | C10 | C09 | H10 | 174.4° | 177.8° |
H1 | C10 | C09 | H11 | 55.9° | 57.8° |
H1 | C10 | C11 | H12 | 47.4° | 57.8° |
H1 | C10 | C11 | H13 | 166.1° | 178.0° |
H2 | C10 | C09 | H10 | 55.3° | 57.7° |
H2 | C10 | C09 | H11 | 63.2° | 62.3° |
H2 | C10 | C11 | H12 | 71.7° | 62.2° |
H2 | C10 | C11 | H13 | 46.9° | 58.0° |
H3 | C13 | C14 | H14 | 141.0° | 0.0° |
H3 | C13 | C14 | H15 | 0.0° | 145.1° |
H4 | C13 | C14 | H14 | 0.0° | 145.1° |
H4 | C13 | C14 | H15 | 141.0° | 0.0° |