FWN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | O10 | sing | 1.43Å | 1.43Å | |
C9 | C8 | sing | 1.53Å | 1.52Å | |
O10 | C11 | sing | 1.43Å | 1.43Å | |
C11 | C12 | sing | 1.53Å | 1.53Å | |
C8 | O7 | sing | 1.43Å | 1.43Å | |
O7 | C6 | sing | 1.43Å | 1.43Å | |
O13 | C12 | sing | 1.43Å | 1.43Å | |
O13 | C14 | sing | 1.43Å | 1.43Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C1 | C14 | sing | 1.53Å | 1.51Å | |
C5 | O4 | sing | 1.43Å | 1.43Å | |
O4 | H1 | sing | 0.97Å | 0.95Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C1 | H16 | sing | 1.09Å | 1.10Å | |
C1 | H17 | sing | 1.09Å | 1.10Å | |
C1 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | C9 | C8 | 109.6° | 109.5° |
C9 | O10 | C11 | 112.2° | 114.0° |
O10 | C9 | H8 | 109.4° | 109.5° |
O10 | C9 | H9 | 109.4° | 109.4° |
C9 | C8 | O7 | 111.4° | 109.5° |
C9 | C8 | H6 | 109.0° | 109.5° |
C9 | C8 | H7 | 109.0° | 109.5° |
C8 | C9 | H8 | 109.4° | 109.5° |
C8 | C9 | H9 | 109.5° | 109.5° |
O10 | C11 | C12 | 111.3° | 109.5° |
O10 | C11 | H10 | 109.0° | 109.5° |
O10 | C11 | H11 | 109.0° | 109.5° |
C11 | C12 | O13 | 108.8° | 109.5° |
C12 | C11 | H10 | 109.0° | 109.4° |
C12 | C11 | H11 | 109.0° | 109.4° |
C11 | C12 | H12 | 109.6° | 109.5° |
C11 | C12 | H13 | 109.7° | 109.4° |
C8 | O7 | C6 | 113.6° | 114.0° |
O7 | C8 | H6 | 109.0° | 109.5° |
O7 | C8 | H7 | 109.0° | 109.5° |
O7 | C6 | C5 | 111.3° | 109.4° |
O7 | C6 | H4 | 109.0° | 109.5° |
O7 | C6 | H5 | 109.0° | 109.5° |
C12 | O13 | C14 | 112.8° | 114.0° |
O13 | C12 | H12 | 109.6° | 109.5° |
O13 | C12 | H13 | 109.6° | 109.5° |
O13 | C14 | C1 | 109.5° | 109.5° |
O13 | C14 | H14 | 109.5° | 109.5° |
O13 | C14 | H15 | 109.5° | 109.4° |
C6 | C5 | O4 | 108.8° | 109.5° |
C6 | C5 | H2 | 109.6° | 109.5° |
C6 | C5 | H3 | 109.6° | 109.5° |
C5 | C6 | H4 | 109.0° | 109.4° |
C5 | C6 | H5 | 109.0° | 109.5° |
C1 | C14 | H14 | 109.5° | 109.5° |
C1 | C14 | H15 | 109.5° | 109.5° |
C14 | C1 | H16 | 109.5° | 109.5° |
C14 | C1 | H17 | 109.4° | 109.5° |
C14 | C1 | H18 | 109.5° | 109.5° |
C5 | O4 | H1 | 109.5° | 114.0° |
O4 | C5 | H2 | 109.6° | 109.5° |
O4 | C5 | H3 | 109.6° | 109.4° |
H2 | C5 | H3 | 109.5° | 109.4° |
H4 | C6 | H5 | 109.5° | 109.5° |
H6 | C8 | H7 | 109.5° | 109.4° |
H8 | C9 | H9 | 109.5° | 109.4° |
H10 | C11 | H11 | 109.5° | 109.5° |
H12 | C12 | H13 | 109.5° | 109.4° |
H14 | C14 | H15 | 109.4° | 109.5° |
H16 | C1 | H17 | 109.5° | 109.5° |
H16 | C1 | H18 | 109.5° | 109.4° |
H17 | C1 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | C9 | C8 | H8 | 120.0° | 120.1° |
O10 | C9 | C8 | H9 | 120.0° | 120.0° |
C9 | O10 | C11 | C12 | 128.5° | 180.0° |
O10 | C9 | C8 | O7 | 139.7° | 65.0° |
O10 | C9 | C8 | H6 | 100.0° | 55.1° |
O10 | C9 | C8 | H7 | 19.4° | 175.0° |
O10 | C9 | H8 | H9 | 119.9° | 119.9° |
C9 | O10 | C11 | H10 | 111.3° | 60.0° |
C9 | O10 | C11 | H11 | 8.2° | 60.1° |
C8 | C9 | O10 | C11 | 133.4° | 180.0° |
C9 | C8 | O7 | H6 | 120.3° | 120.0° |
C9 | C8 | O7 | H7 | 120.3° | 120.0° |
C9 | C8 | O7 | C6 | 119.1° | 180.0° |
C9 | C8 | H6 | H7 | 119.1° | 120.0° |
C8 | C9 | H8 | H9 | 120.0° | 120.0° |
O10 | C11 | C12 | H10 | 120.3° | 120.0° |
O10 | C11 | C12 | H11 | 120.3° | 120.0° |
O10 | C11 | C12 | O13 | 179.1° | 65.0° |
C11 | O10 | C9 | H8 | 13.4° | 59.9° |
C11 | O10 | C9 | H9 | 106.6° | 60.0° |
O10 | C11 | H10 | H11 | 119.2° | 120.1° |
O10 | C11 | C12 | H12 | 59.2° | 175.0° |
O10 | C11 | C12 | H13 | 61.0° | 55.0° |
C11 | C12 | O13 | H12 | 119.9° | 120.1° |
C11 | C12 | O13 | H13 | 119.9° | 120.0° |
C11 | C12 | O13 | C14 | 170.2° | 180.0° |
C12 | C11 | H10 | H11 | 119.1° | 120.0° |
C11 | C12 | H12 | H13 | 120.3° | 120.0° |
C8 | O7 | C6 | C5 | 85.7° | 180.0° |
C8 | O7 | C6 | H4 | 34.6° | 60.0° |
C8 | O7 | C6 | H5 | 154.0° | 60.0° |
O7 | C8 | H6 | H7 | 119.1° | 120.0° |
O7 | C8 | C9 | H8 | 19.7° | 175.0° |
O7 | C8 | C9 | H9 | 100.2° | 55.0° |
O7 | C6 | C5 | H4 | 120.3° | 120.0° |
O7 | C6 | C5 | H5 | 120.3° | 120.0° |
O7 | C6 | C5 | O4 | 171.1° | 65.1° |
O7 | C6 | C5 | H2 | 51.2° | 55.0° |
O7 | C6 | C5 | H3 | 69.0° | 175.0° |
O7 | C6 | H4 | H5 | 119.2° | 120.1° |
C6 | O7 | C8 | H6 | 120.6° | 60.0° |
C6 | O7 | C8 | H7 | 1.2° | 60.0° |
C12 | O13 | C14 | C1 | 177.8° | 180.0° |
O13 | C12 | C11 | H10 | 60.7° | 55.0° |
O13 | C12 | C11 | H11 | 58.8° | 175.0° |
O13 | C12 | H12 | H13 | 120.3° | 120.0° |
C12 | O13 | C14 | H14 | 57.8° | 60.0° |
C12 | O13 | C14 | H15 | 62.1° | 60.0° |
O13 | C14 | C1 | H14 | 120.0° | 120.0° |
O13 | C14 | C1 | H15 | 120.0° | 120.0° |
C14 | O13 | C12 | H12 | 50.3° | 60.0° |
C14 | O13 | C12 | H13 | 69.9° | 60.0° |
O13 | C14 | H14 | H15 | 120.0° | 120.0° |
O13 | C14 | C1 | H16 | 180.0° | 180.0° |
O13 | C14 | C1 | H17 | 60.0° | 60.0° |
O13 | C14 | C1 | H18 | 60.0° | 60.0° |
C6 | C5 | O4 | H2 | 119.9° | 120.1° |
C6 | C5 | O4 | H3 | 119.9° | 120.0° |
C6 | C5 | O4 | H1 | 180.0° | 180.0° |
C6 | C5 | H2 | H3 | 120.3° | 120.1° |
C5 | C6 | H4 | H5 | 119.2° | 120.0° |
C1 | C14 | H14 | H15 | 120.0° | 120.0° |
C14 | C1 | H16 | H17 | 120.0° | 120.0° |
C14 | C1 | H16 | H18 | 120.0° | 120.0° |
C14 | C1 | H17 | H18 | 120.0° | 120.0° |
O4 | C5 | H2 | H3 | 120.3° | 119.9° |
O4 | C5 | C6 | H4 | 68.6° | 175.0° |
O4 | C5 | C6 | H5 | 50.8° | 55.0° |
H1 | O4 | C5 | H2 | 60.1° | 59.9° |
H1 | O4 | C5 | H3 | 60.1° | 60.0° |
H2 | C5 | C6 | H4 | 171.5° | 65.0° |
H2 | C5 | C6 | H5 | 69.0° | 175.0° |
H3 | C5 | C6 | H4 | 51.3° | 55.0° |
H3 | C5 | C6 | H5 | 170.7° | 65.0° |
H6 | C8 | C9 | H8 | 140.0° | 65.0° |
H6 | C8 | C9 | H9 | 20.1° | 175.0° |
H7 | C8 | C9 | H8 | 100.6° | 54.9° |
H7 | C8 | C9 | H9 | 139.5° | 65.0° |
H10 | C11 | C12 | H12 | 179.4° | 65.0° |
H10 | C11 | C12 | H13 | 59.2° | 175.0° |
H11 | C11 | C12 | H12 | 61.1° | 55.0° |
H11 | C11 | C12 | H13 | 178.7° | 65.0° |
H14 | C14 | C1 | H16 | 60.0° | 60.0° |
H14 | C14 | C1 | H17 | 180.0° | 180.0° |
H14 | C14 | C1 | H18 | 60.0° | 60.0° |
H15 | C14 | C1 | H16 | 60.0° | 60.0° |
H15 | C14 | C1 | H17 | 60.0° | 60.0° |
H15 | C14 | C1 | H18 | 180.0° | 180.0° |
H16 | C1 | H17 | H18 | 120.0° | 120.0° |