PRD_002457
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.49Å | |
C1 | O1 | sing | 1.43Å | 16.12Å | |
C1 | O4 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | F1 | sing | 1.40Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C3 | O2 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | O3 | sing | 1.43Å | 1.47Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | O4 | sing | 1.43Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O5 | sing | 1.43Å | 1.48Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
O1 | H8 | sing | 0.97Å | 0.00Å | |
O3 | H9 | sing | 0.97Å | 0.95Å | |
O5 | H10 | sing | 0.97Å | 0.95Å | |
C7 | C8 | sing | 1.53Å | 1.55Å | |
C7 | C12 | sing | 1.53Å | 1.51Å | |
C7 | O6 | sing | 1.43Å | 1.40Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C8 | O7 | sing | 1.43Å | 1.43Å | |
C8 | H12 | sing | 1.09Å | 1.10Å | |
C9 | C10 | sing | 1.53Å | 1.54Å | |
C9 | O8 | sing | 1.43Å | 1.45Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.53Å | 1.51Å | |
C10 | O9 | sing | 1.43Å | 1.46Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C11 | O10 | sing | 1.43Å | 1.45Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C12 | O9 | sing | 1.43Å | 1.42Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
O6 | H18 | sing | 0.97Å | 0.95Å | |
O7 | H19 | sing | 0.97Å | 0.95Å | |
O10 | H20 | sing | 0.97Å | 0.95Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | C18 | sing | 1.53Å | 1.54Å | |
C13 | O11 | sing | 1.43Å | 1.41Å | |
C13 | H21 | sing | 1.09Å | 1.10Å | |
C14 | C15 | sing | 1.53Å | 1.50Å | |
C14 | O12 | sing | 1.43Å | 1.42Å | |
C14 | H22 | sing | 1.09Å | 1.10Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C15 | O13 | sing | 1.43Å | 1.44Å | |
C15 | H23 | sing | 1.09Å | 1.10Å | |
C16 | C17 | sing | 1.53Å | 1.51Å | |
C16 | O14 | sing | 1.43Å | 1.44Å | |
C16 | H24 | sing | 1.09Å | 1.10Å | |
C17 | O15 | sing | 1.43Å | 1.42Å | |
C17 | H25 | sing | 1.09Å | 1.10Å | |
C17 | H26 | sing | 1.09Å | 1.10Å | |
C18 | O14 | sing | 1.43Å | 1.41Å | |
C18 | H27 | sing | 1.09Å | 1.10Å | |
O11 | H28 | sing | 0.97Å | 0.95Å | |
O12 | H29 | sing | 0.97Å | 0.95Å | |
O13 | H30 | sing | 0.97Å | 0.95Å | |
O15 | H31 | sing | 0.97Å | 0.95Å | |
O2 | C12 | sing | 1.43Å | 1.40Å | |
O8 | C18 | sing | 1.43Å | 1.36Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 88.0° | 109.5° |
C2 | C1 | O4 | 113.7° | 109.4° |
C2 | C1 | H1 | 97.0° | 109.5° |
C1 | C2 | C3 | 111.7° | 109.2° |
C1 | C2 | F1 | 108.6° | 109.5° |
C1 | C2 | H2 | 107.2° | 109.5° |
O1 | C1 | O4 | 155.6° | 109.5° |
O1 | C1 | H1 | 90.6° | 109.5° |
C1 | O1 | H8 | 90.0° | 114.0° |
O4 | C1 | H1 | 97.3° | 109.4° |
C1 | O4 | C5 | 112.7° | 114.1° |
C3 | C2 | F1 | 114.3° | 109.5° |
C3 | C2 | H2 | 106.9° | 109.6° |
C2 | C3 | C4 | 107.8° | 109.1° |
C2 | C3 | O2 | 110.2° | 109.6° |
C2 | C3 | H3 | 108.3° | 109.5° |
F1 | C2 | H2 | 107.9° | 109.6° |
C4 | C3 | O2 | 112.2° | 109.5° |
C4 | C3 | H3 | 108.5° | 109.5° |
C3 | C4 | C5 | 106.6° | 109.2° |
C3 | C4 | O3 | 107.9° | 109.5° |
C3 | C4 | H4 | 109.7° | 109.5° |
O2 | C3 | H3 | 109.6° | 109.6° |
C3 | O2 | C12 | 118.9° | 114.0° |
C5 | C4 | O3 | 113.2° | 109.6° |
C5 | C4 | H4 | 109.1° | 109.5° |
C4 | C5 | C6 | 116.9° | 109.5° |
C4 | C5 | O4 | 112.1° | 109.4° |
C4 | C5 | H5 | 106.3° | 109.4° |
O3 | C4 | H4 | 110.3° | 109.6° |
C4 | O3 | H9 | 109.5° | 114.0° |
C6 | C5 | O4 | 106.7° | 109.5° |
C6 | C5 | H5 | 106.8° | 109.5° |
C5 | C6 | O5 | 109.8° | 109.4° |
C5 | C6 | H6 | 109.4° | 109.5° |
C5 | C6 | H7 | 109.4° | 109.4° |
O4 | C5 | H5 | 107.6° | 109.5° |
O5 | C6 | H6 | 109.4° | 109.5° |
O5 | C6 | H7 | 109.4° | 109.5° |
C6 | O5 | H10 | 109.5° | 114.0° |
H6 | C6 | H7 | 109.5° | 109.5° |
C8 | C7 | C12 | 105.7° | 109.1° |
C8 | C7 | O6 | 113.5° | 109.5° |
C8 | C7 | H11 | 107.3° | 109.5° |
C7 | C8 | C9 | 112.6° | 109.1° |
C7 | C8 | O7 | 104.9° | 109.5° |
C7 | C8 | H12 | 107.9° | 109.5° |
C12 | C7 | O6 | 112.9° | 109.5° |
C12 | C7 | H11 | 107.9° | 109.5° |
C7 | C12 | O9 | 114.9° | 109.4° |
C7 | C12 | H17 | 108.8° | 109.5° |
C7 | C12 | O2 | 110.9° | 109.4° |
O6 | C7 | H11 | 109.3° | 109.6° |
C7 | O6 | H18 | 109.5° | 113.9° |
C9 | C8 | O7 | 113.6° | 109.5° |
C9 | C8 | H12 | 108.3° | 109.6° |
C8 | C9 | C10 | 111.9° | 109.1° |
C8 | C9 | O8 | 108.9° | 109.5° |
C8 | C9 | H13 | 108.4° | 109.5° |
O7 | C8 | H12 | 109.4° | 109.6° |
C8 | O7 | H19 | 109.5° | 114.0° |
C10 | C9 | O8 | 110.4° | 109.5° |
C10 | C9 | H13 | 108.0° | 109.5° |
C9 | C10 | C11 | 115.3° | 109.5° |
C9 | C10 | O9 | 107.5° | 109.4° |
C9 | C10 | H14 | 108.1° | 109.5° |
O8 | C9 | H13 | 109.1° | 109.6° |
C9 | O8 | C18 | 114.9° | 114.0° |
C11 | C10 | O9 | 108.2° | 109.5° |
C11 | C10 | H14 | 108.5° | 109.5° |
C10 | C11 | O10 | 110.7° | 109.5° |
C10 | C11 | H15 | 109.1° | 109.5° |
C10 | C11 | H16 | 109.2° | 109.5° |
O9 | C10 | H14 | 109.1° | 109.5° |
C10 | O9 | C12 | 111.5° | 114.1° |
O10 | C11 | H15 | 109.2° | 109.5° |
O10 | C11 | H16 | 109.1° | 109.5° |
C11 | O10 | H20 | 109.5° | 114.0° |
H15 | C11 | H16 | 109.5° | 109.4° |
O9 | C12 | H17 | 110.0° | 109.5° |
O9 | C12 | O2 | 102.0° | 109.5° |
H17 | C12 | O2 | 110.2° | 109.5° |
C14 | C13 | C18 | 110.3° | 109.2° |
C14 | C13 | O11 | 108.8° | 109.5° |
C14 | C13 | H21 | 109.2° | 109.5° |
C13 | C14 | C15 | 109.1° | 109.0° |
C13 | C14 | O12 | 105.3° | 109.6° |
C13 | C14 | H22 | 110.7° | 109.5° |
C18 | C13 | O11 | 108.9° | 109.5° |
C18 | C13 | H21 | 108.9° | 109.6° |
C13 | C18 | O14 | 106.7° | 109.4° |
C13 | C18 | H27 | 112.3° | 109.5° |
C13 | C18 | O8 | 106.7° | 109.5° |
O11 | C13 | H21 | 110.8° | 109.5° |
C13 | O11 | H28 | 109.5° | 114.0° |
C15 | C14 | O12 | 108.0° | 109.5° |
C15 | C14 | H22 | 111.2° | 109.5° |
C14 | C15 | C16 | 110.0° | 109.2° |
C14 | C15 | O13 | 108.2° | 109.5° |
C14 | C15 | H23 | 110.4° | 109.5° |
O12 | C14 | H22 | 112.3° | 109.6° |
C14 | O12 | H29 | 109.5° | 114.0° |
C16 | C15 | O13 | 107.0° | 109.5° |
C16 | C15 | H23 | 109.9° | 109.5° |
C15 | C16 | C17 | 111.1° | 109.5° |
C15 | C16 | O14 | 109.1° | 109.4° |
C15 | C16 | H24 | 107.9° | 109.5° |
O13 | C15 | H23 | 111.3° | 109.6° |
C15 | O13 | H30 | 109.5° | 114.0° |
C17 | C16 | O14 | 111.4° | 109.4° |
C17 | C16 | H24 | 108.2° | 109.5° |
C16 | C17 | O15 | 114.2° | 109.5° |
C16 | C17 | H25 | 108.2° | 109.4° |
C16 | C17 | H26 | 108.3° | 109.5° |
O14 | C16 | H24 | 109.1° | 109.5° |
C16 | O14 | C18 | 112.9° | 114.1° |
O15 | C17 | H25 | 108.3° | 109.5° |
O15 | C17 | H26 | 108.3° | 109.5° |
C17 | O15 | H31 | 109.5° | 114.0° |
H25 | C17 | H26 | 109.5° | 109.5° |
O14 | C18 | H27 | 114.4° | 109.5° |
O14 | C18 | O8 | 100.5° | 109.4° |
H27 | C18 | O8 | 115.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O4 | 153.7° | 120.0° |
C2 | C1 | O1 | H1 | 97.0° | 120.0° |
C2 | C1 | O4 | H1 | 101.0° | 119.9° |
C1 | C2 | C3 | F1 | 123.7° | 119.9° |
C1 | C2 | C3 | H2 | 116.9° | 119.9° |
C1 | C2 | F1 | H2 | 115.9° | 120.2° |
C1 | C2 | C3 | C4 | 58.7° | 57.0° |
C1 | C2 | C3 | O2 | 178.4° | 176.9° |
C1 | C2 | C3 | H3 | 58.5° | 62.9° |
C2 | C1 | O4 | C5 | 50.5° | 61.2° |
C2 | C1 | O1 | H8 | 90.0° | 180.0° |
O1 | C1 | O4 | H1 | 107.9° | 120.0° |
O1 | C1 | C2 | C3 | 115.6° | 62.4° |
O1 | C1 | C2 | F1 | 11.3° | 57.5° |
O1 | C1 | C2 | H2 | 127.7° | 177.7° |
O1 | C1 | O4 | C5 | 100.6° | 58.8° |
O4 | C1 | C2 | C3 | 52.9° | 57.7° |
O4 | C1 | C2 | F1 | 179.8° | 177.5° |
O4 | C1 | C2 | H2 | 63.9° | 62.3° |
C1 | O4 | C5 | C4 | 54.7° | 61.2° |
C1 | O4 | C5 | C6 | 176.2° | 178.8° |
C1 | O4 | C5 | H5 | 61.8° | 58.8° |
O4 | C1 | O1 | H8 | 90.0° | 60.0° |
H1 | C1 | C2 | C3 | 154.0° | 177.6° |
H1 | C1 | C2 | F1 | 79.1° | 62.6° |
H1 | C1 | C2 | H2 | 37.3° | 57.6° |
H1 | C1 | O4 | C5 | 151.5° | 178.9° |
H1 | C1 | O1 | H8 | 90.0° | 60.0° |
C3 | C2 | F1 | H2 | 118.7° | 120.2° |
C2 | C3 | C4 | O2 | 121.6° | 119.9° |
C2 | C3 | C4 | H3 | 117.2° | 119.8° |
C2 | C3 | O2 | H3 | 119.2° | 120.2° |
C2 | C3 | C4 | C5 | 60.6° | 56.9° |
C2 | C3 | C4 | O3 | 177.5° | 176.9° |
C2 | C3 | C4 | H4 | 57.4° | 62.9° |
C2 | C3 | O2 | C12 | 93.5° | 90.0° |
F1 | C2 | C3 | C4 | 177.5° | 176.9° |
F1 | C2 | C3 | O2 | 54.7° | 63.3° |
F1 | C2 | C3 | H3 | 65.2° | 57.0° |
H2 | C2 | C3 | C4 | 58.2° | 62.9° |
H2 | C2 | C3 | O2 | 64.7° | 56.9° |
H2 | C2 | C3 | H3 | 175.4° | 177.2° |
C4 | C3 | O2 | H3 | 120.6° | 120.2° |
C3 | C4 | C5 | O3 | 118.5° | 119.9° |
C3 | C4 | C5 | H4 | 118.4° | 119.8° |
C3 | C4 | O3 | H4 | 119.8° | 120.1° |
C3 | C4 | C5 | C6 | 176.0° | 177.6° |
C3 | C4 | C5 | O4 | 60.3° | 57.6° |
C3 | C4 | C5 | H5 | 57.0° | 62.4° |
C3 | C4 | O3 | H9 | 180.0° | 180.0° |
C4 | C3 | O2 | C12 | 146.3° | 150.4° |
O2 | C3 | C4 | C5 | 177.8° | 176.8° |
O2 | C3 | C4 | O3 | 55.9° | 63.2° |
O2 | C3 | C4 | H4 | 64.2° | 57.0° |
C3 | O2 | C12 | C7 | 178.7° | 175.0° |
C3 | O2 | C12 | O9 | 58.5° | 65.1° |
C3 | O2 | C12 | H17 | 58.3° | 55.0° |
H3 | C3 | C4 | C5 | 56.6° | 62.9° |
H3 | C3 | C4 | O3 | 65.3° | 57.0° |
H3 | C3 | C4 | H4 | 174.5° | 177.2° |
H3 | C3 | O2 | C12 | 25.7° | 30.2° |
C5 | C4 | O3 | H4 | 122.5° | 120.2° |
C4 | C5 | C6 | O4 | 126.3° | 120.0° |
C4 | C5 | C6 | H5 | 118.8° | 119.9° |
C4 | C5 | O4 | H5 | 116.5° | 120.0° |
C4 | C5 | C6 | O5 | 50.7° | 175.0° |
C4 | C5 | C6 | H6 | 170.8° | 54.9° |
C4 | C5 | C6 | H7 | 69.3° | 65.1° |
C5 | C4 | O3 | H9 | 62.3° | 60.3° |
O3 | C4 | C5 | C6 | 57.6° | 62.5° |
O3 | C4 | C5 | O4 | 178.8° | 177.5° |
O3 | C4 | C5 | H5 | 61.5° | 57.5° |
H4 | C4 | C5 | C6 | 65.6° | 57.8° |
H4 | C4 | C5 | O4 | 58.1° | 62.3° |
H4 | C4 | C5 | H5 | 175.4° | 177.7° |
H4 | C4 | O3 | H9 | 60.2° | 59.8° |
C6 | C5 | O4 | H5 | 114.3° | 120.0° |
C5 | C6 | O5 | H6 | 120.0° | 120.0° |
C5 | C6 | O5 | H7 | 120.0° | 119.9° |
C5 | C6 | H6 | H7 | 119.9° | 120.0° |
C5 | C6 | O5 | H10 | 180.0° | 180.0° |
O4 | C5 | C6 | O5 | 75.6° | 65.0° |
O4 | C5 | C6 | H6 | 44.4° | 174.9° |
O4 | C5 | C6 | H7 | 164.4° | 54.9° |
H5 | C5 | C6 | O5 | 169.5° | 55.0° |
H5 | C5 | C6 | H6 | 70.5° | 65.0° |
H5 | C5 | C6 | H7 | 49.4° | 175.0° |
O5 | C6 | H6 | H7 | 119.9° | 120.0° |
H6 | C6 | O5 | H10 | 60.0° | 60.0° |
H7 | C6 | O5 | H10 | 60.0° | 60.0° |
C8 | C7 | C12 | O6 | 124.6° | 119.9° |
C8 | C7 | C12 | H11 | 114.6° | 119.9° |
C8 | C7 | O6 | H11 | 119.8° | 120.2° |
C7 | C8 | C9 | O7 | 119.0° | 119.8° |
C7 | C8 | C9 | H12 | 119.2° | 119.9° |
C7 | C8 | O7 | H12 | 115.5° | 120.2° |
C7 | C8 | C9 | C10 | 53.3° | 57.0° |
C7 | C8 | C9 | O8 | 175.6° | 176.9° |
C7 | C8 | C9 | H13 | 65.8° | 62.9° |
C8 | C7 | C12 | O9 | 57.2° | 57.6° |
C8 | C7 | C12 | H17 | 66.5° | 62.4° |
C8 | C7 | O6 | H18 | 180.0° | 180.0° |
C7 | C8 | O7 | H19 | 180.0° | 60.0° |
C8 | C7 | C12 | O2 | 172.1° | 177.6° |
C12 | C7 | O6 | H11 | 120.0° | 120.2° |
C12 | C7 | C8 | C9 | 50.7° | 57.0° |
C12 | C7 | C8 | O7 | 174.7° | 176.8° |
C12 | C7 | C8 | H12 | 68.7° | 62.9° |
C7 | C12 | O9 | C10 | 65.2° | 61.2° |
C7 | C12 | O9 | H17 | 123.1° | 120.0° |
C7 | C12 | O9 | O2 | 120.0° | 119.9° |
C7 | C12 | H17 | O2 | 121.7° | 120.0° |
C12 | C7 | O6 | H18 | 59.8° | 60.3° |
O6 | C7 | C8 | C9 | 174.9° | 176.9° |
O6 | C7 | C8 | O7 | 61.1° | 63.3° |
O6 | C7 | C8 | H12 | 55.5° | 57.0° |
O6 | C7 | C12 | O9 | 178.3° | 177.5° |
O6 | C7 | C12 | H17 | 58.0° | 57.5° |
O6 | C7 | C12 | O2 | 63.3° | 62.5° |
H11 | C7 | C8 | C9 | 64.2° | 62.9° |
H11 | C7 | C8 | O7 | 59.8° | 56.9° |
H11 | C7 | C8 | H12 | 176.4° | 177.2° |
H11 | C7 | C12 | O9 | 57.4° | 62.3° |
H11 | C7 | C12 | H17 | 178.9° | 177.7° |
H11 | C7 | O6 | H18 | 60.2° | 59.9° |
H11 | C7 | C12 | O2 | 57.6° | 57.7° |
C9 | C8 | O7 | H12 | 121.2° | 120.3° |
C8 | C9 | C10 | O8 | 121.5° | 119.9° |
C8 | C9 | C10 | H13 | 119.2° | 119.9° |
C8 | C9 | O8 | H13 | 118.2° | 120.2° |
C8 | C9 | C10 | C11 | 175.8° | 177.6° |
C8 | C9 | C10 | O9 | 55.1° | 57.6° |
C8 | C9 | C10 | H14 | 62.6° | 62.4° |
C9 | C8 | O7 | H19 | 56.7° | 179.6° |
C8 | C9 | O8 | C18 | 128.5° | 90.0° |
O7 | C8 | C9 | C10 | 172.3° | 176.8° |
O7 | C8 | C9 | O8 | 65.4° | 63.3° |
O7 | C8 | C9 | H13 | 53.3° | 56.9° |
H12 | C8 | C9 | C10 | 65.9° | 62.9° |
H12 | C8 | C9 | O8 | 56.5° | 57.0° |
H12 | C8 | C9 | H13 | 175.1° | 177.2° |
H12 | C8 | O7 | H19 | 64.5° | 60.1° |
C10 | C9 | O8 | H13 | 118.6° | 120.2° |
C9 | C10 | C11 | O9 | 120.3° | 120.0° |
C9 | C10 | C11 | H14 | 121.4° | 120.0° |
C9 | C10 | O9 | H14 | 117.0° | 120.0° |
C9 | C10 | C11 | O10 | 59.3° | 175.0° |
C9 | C10 | C11 | H15 | 179.4° | 55.0° |
C9 | C10 | C11 | H16 | 60.9° | 65.0° |
C9 | C10 | O9 | C12 | 59.8° | 61.1° |
C10 | C9 | O8 | C18 | 108.3° | 150.3° |
O8 | C9 | C10 | C11 | 62.7° | 62.5° |
O8 | C9 | C10 | O9 | 176.6° | 177.5° |
O8 | C9 | C10 | H14 | 58.9° | 57.5° |
C9 | O8 | C18 | C13 | 163.8° | 175.0° |
C9 | O8 | C18 | O14 | 85.1° | 65.1° |
C9 | O8 | C18 | H27 | 38.4° | 55.0° |
H13 | C9 | C10 | C11 | 56.5° | 57.7° |
H13 | C9 | C10 | O9 | 64.2° | 62.3° |
H13 | C9 | C10 | H14 | 178.2° | 177.7° |
H13 | C9 | O8 | C18 | 10.3° | 30.1° |
C11 | C10 | O9 | H14 | 117.9° | 120.0° |
C10 | C11 | O10 | H15 | 120.2° | 120.0° |
C10 | C11 | O10 | H16 | 120.2° | 120.0° |
C10 | C11 | H15 | H16 | 119.5° | 120.0° |
C11 | C10 | O9 | C12 | 175.0° | 178.9° |
C10 | C11 | O10 | H20 | 180.0° | 180.0° |
O9 | C10 | C11 | O10 | 61.1° | 65.0° |
O9 | C10 | C11 | H15 | 59.1° | 174.9° |
O9 | C10 | C11 | H16 | 178.8° | 55.0° |
C10 | O9 | C12 | H17 | 57.9° | 58.8° |
C10 | O9 | C12 | O2 | 174.8° | 178.9° |
H14 | C10 | C11 | O10 | 179.3° | 55.0° |
H14 | C10 | C11 | H15 | 59.2° | 65.0° |
H14 | C10 | C11 | H16 | 60.5° | 175.0° |
H14 | C10 | O9 | C12 | 57.2° | 58.8° |
O10 | C11 | H15 | H16 | 119.4° | 120.0° |
H15 | C11 | O10 | H20 | 59.9° | 60.0° |
H16 | C11 | O10 | H20 | 59.8° | 60.0° |
O9 | C12 | H17 | O2 | 111.7° | 120.0° |
C14 | C13 | C18 | O11 | 119.3° | 119.9° |
C14 | C13 | C18 | H21 | 119.8° | 119.9° |
C14 | C13 | O11 | H21 | 120.0° | 120.1° |
C13 | C14 | C15 | O12 | 113.9° | 119.9° |
C13 | C14 | C15 | H22 | 122.4° | 119.8° |
C13 | C14 | O12 | H22 | 120.6° | 120.2° |
C13 | C14 | C15 | C16 | 54.3° | 57.0° |
C13 | C14 | C15 | O13 | 170.9° | 176.9° |
C13 | C14 | C15 | H23 | 67.1° | 63.0° |
C14 | C13 | C18 | O14 | 59.9° | 57.6° |
C14 | C13 | C18 | H27 | 66.2° | 62.4° |
C14 | C13 | O11 | H28 | 180.0° | 180.0° |
C13 | C14 | O12 | H29 | 180.0° | 60.0° |
C14 | C13 | C18 | O8 | 166.6° | 177.6° |
C18 | C13 | O11 | H21 | 119.8° | 120.2° |
C18 | C13 | C14 | C15 | 56.4° | 57.0° |
C18 | C13 | C14 | O12 | 172.1° | 176.9° |
C18 | C13 | C14 | H22 | 66.2° | 62.8° |
C13 | C18 | O14 | C16 | 64.6° | 61.2° |
C13 | C18 | O14 | H27 | 124.8° | 120.0° |
C13 | C18 | O14 | O8 | 111.1° | 120.0° |
C13 | C18 | H27 | O8 | 122.5° | 120.0° |
C18 | C13 | O11 | H28 | 59.7° | 60.3° |
O11 | C13 | C14 | C15 | 175.8° | 176.9° |
O11 | C13 | C14 | O12 | 68.5° | 63.2° |
O11 | C13 | C14 | H22 | 53.1° | 57.1° |
O11 | C13 | C18 | O14 | 179.1° | 177.6° |
O11 | C13 | C18 | H27 | 53.1° | 57.5° |
O11 | C13 | C18 | O8 | 74.1° | 62.5° |
H21 | C13 | C14 | C15 | 63.3° | 63.0° |
H21 | C13 | C14 | O12 | 52.4° | 56.9° |
H21 | C13 | C14 | H22 | 174.1° | 177.2° |
H21 | C13 | C18 | O14 | 60.0° | 62.2° |
H21 | C13 | C18 | H27 | 174.0° | 177.7° |
H21 | C13 | O11 | H28 | 60.0° | 59.9° |
H21 | C13 | C18 | O8 | 46.7° | 57.7° |
C15 | C14 | O12 | H22 | 122.9° | 120.2° |
C14 | C15 | C16 | O13 | 117.3° | 119.9° |
C14 | C15 | C16 | H23 | 121.7° | 119.9° |
C14 | C15 | O13 | H23 | 121.5° | 120.1° |
C14 | C15 | C16 | C17 | 179.9° | 177.5° |
C14 | C15 | C16 | O14 | 56.9° | 57.6° |
C14 | C15 | C16 | H24 | 61.4° | 62.3° |
C15 | C14 | O12 | H29 | 63.6° | 179.6° |
C14 | C15 | O13 | H30 | 180.0° | 60.0° |
O12 | C14 | C15 | C16 | 168.3° | 176.9° |
O12 | C14 | C15 | O13 | 75.2° | 63.2° |
O12 | C14 | C15 | H23 | 46.9° | 57.0° |
H22 | C14 | C15 | C16 | 68.1° | 62.8° |
H22 | C14 | C15 | O13 | 48.5° | 57.1° |
H22 | C14 | C15 | H23 | 170.5° | 177.2° |
H22 | C14 | O12 | H29 | 59.4° | 60.2° |
C16 | C15 | O13 | H23 | 120.1° | 120.2° |
C15 | C16 | C17 | O14 | 121.8° | 119.9° |
C15 | C16 | C17 | H24 | 118.2° | 120.1° |
C15 | C16 | O14 | H24 | 117.6° | 120.0° |
C15 | C16 | C17 | O15 | 65.3° | 175.0° |
C15 | C16 | C17 | H25 | 174.0° | 55.1° |
C15 | C16 | C17 | H26 | 55.4° | 64.9° |
C15 | C16 | O14 | C18 | 64.1° | 61.2° |
C16 | C15 | O13 | H30 | 61.5° | 179.7° |
O13 | C15 | C16 | C17 | 62.5° | 62.6° |
O13 | C15 | C16 | O14 | 174.3° | 177.5° |
O13 | C15 | C16 | H24 | 55.9° | 57.6° |
H23 | C15 | C16 | C17 | 58.4° | 57.6° |
H23 | C15 | C16 | O14 | 64.8° | 62.3° |
H23 | C15 | C16 | H24 | 176.9° | 177.7° |
H23 | C15 | O13 | H30 | 58.5° | 60.2° |
C17 | C16 | O14 | H24 | 119.4° | 120.0° |
C16 | C17 | O15 | H25 | 120.7° | 119.9° |
C16 | C17 | O15 | H26 | 120.7° | 120.0° |
C16 | C17 | H25 | H26 | 117.8° | 120.0° |
C17 | C16 | O14 | C18 | 172.9° | 178.9° |
C16 | C17 | O15 | H31 | 180.0° | 180.0° |
O14 | C16 | C17 | O15 | 56.5° | 65.1° |
O14 | C16 | C17 | H25 | 64.2° | 174.9° |
O14 | C16 | C17 | H26 | 177.2° | 55.0° |
C16 | O14 | C18 | H27 | 60.1° | 58.8° |
C16 | O14 | C18 | O8 | 175.7° | 178.9° |
H24 | C16 | C17 | O15 | 176.5° | 54.9° |
H24 | C16 | C17 | H25 | 55.8° | 65.1° |
H24 | C16 | C17 | H26 | 62.8° | 174.9° |
H24 | C16 | O14 | C18 | 53.5° | 58.8° |
O15 | C17 | H25 | H26 | 117.8° | 120.1° |
H25 | C17 | O15 | H31 | 59.3° | 60.1° |
H26 | C17 | O15 | H31 | 59.3° | 60.0° |
O14 | C18 | H27 | O8 | 115.8° | 120.0° |