PRD_900130
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O1 | sing | 1.43Å | 1.39Å | |
C1 | O6 | sing | 1.43Å | 1.41Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.47Å | |
C2 | N1 | sing | 1.46Å | 1.49Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.42Å | |
C3 | O2 | sing | 1.43Å | 1.51Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O3 | sing | 1.43Å | 1.47Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.47Å | |
C5 | O1 | sing | 1.43Å | 1.47Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O4 | sing | 1.43Å | 1.39Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.51Å | 1.47Å | |
C7 | O5 | doub | 1.21Å | 1.22Å | |
C7 | N1 | sing | 1.35Å | 1.49Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
O4 | H11 | sing | 0.97Å | 0.95Å | |
N1 | H12 | sing | 0.97Å | 1.00Å | |
O6 | H13 | sing | 0.97Å | 0.95Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C9 | O10 | sing | 1.43Å | 1.40Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.53Å | 1.48Å | |
C10 | O7 | sing | 1.43Å | 1.39Å | |
C10 | H15 | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.53Å | 1.45Å | |
C11 | O8 | sing | 1.43Å | 1.45Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C12 | C13 | sing | 1.53Å | 1.50Å | |
C12 | O9 | sing | 1.43Å | 1.41Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
C13 | C14 | sing | 1.53Å | 1.47Å | |
C13 | O10 | sing | 1.43Å | 1.48Å | |
C13 | H18 | sing | 1.09Å | 1.10Å | |
C14 | O11 | sing | 1.43Å | 1.42Å | |
C14 | H19 | sing | 1.09Å | 1.10Å | |
C14 | H20 | sing | 1.09Å | 1.10Å | |
O7 | H21 | sing | 0.97Å | 0.95Å | |
O8 | H22 | sing | 0.97Å | 0.95Å | |
O9 | H23 | sing | 0.97Å | 0.95Å | |
O11 | H24 | sing | 0.97Å | 0.95Å | |
C15 | C16 | sing | 1.53Å | 1.53Å | |
C15 | O15 | sing | 1.43Å | 1.40Å | |
C15 | H25 | sing | 1.09Å | 1.10Å | |
C16 | C17 | sing | 1.53Å | 1.46Å | |
C16 | O12 | sing | 1.43Å | 1.40Å | |
C16 | H26 | sing | 1.09Å | 1.10Å | |
C17 | C18 | sing | 1.53Å | 1.41Å | |
C17 | O13 | sing | 1.43Å | 1.44Å | |
C17 | H27 | sing | 1.09Å | 1.10Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C18 | O14 | sing | 1.43Å | 1.43Å | |
C18 | H28 | sing | 1.09Å | 1.10Å | |
C19 | C20 | sing | 1.53Å | 1.46Å | |
C19 | O15 | sing | 1.43Å | 1.47Å | |
C19 | H29 | sing | 1.09Å | 1.10Å | |
C20 | H30 | sing | 1.09Å | 1.10Å | |
C20 | H31 | sing | 1.09Å | 1.10Å | |
C20 | H32 | sing | 1.09Å | 1.10Å | |
O12 | H33 | sing | 0.97Å | 0.95Å | |
O13 | H34 | sing | 0.97Å | 0.95Å | |
O14 | H35 | sing | 0.97Å | 0.95Å | |
O2 | C9 | sing | 1.43Å | 1.40Å | |
O3 | C15 | sing | 1.43Å | 1.40Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.9° | 109.4° |
C2 | C1 | O6 | 108.9° | 109.5° |
C2 | C1 | H1 | 108.1° | 109.5° |
C1 | C2 | C3 | 112.8° | 109.1° |
C1 | C2 | N1 | 109.0° | 109.5° |
C1 | C2 | H2 | 107.8° | 109.5° |
O1 | C1 | O6 | 108.3° | 109.5° |
O1 | C1 | H1 | 110.0° | 109.5° |
C1 | O1 | C5 | 112.5° | 114.1° |
O6 | C1 | H1 | 109.6° | 109.5° |
C1 | O6 | H13 | 109.5° | 114.0° |
C3 | C2 | N1 | 110.3° | 109.6° |
C3 | C2 | H2 | 108.5° | 109.5° |
C2 | C3 | C4 | 112.8° | 109.0° |
C2 | C3 | O2 | 109.2° | 109.5° |
C2 | C3 | H3 | 107.7° | 109.5° |
N1 | C2 | H2 | 108.2° | 109.6° |
C2 | N1 | C7 | 119.3° | 120.0° |
C2 | N1 | H12 | 120.4° | 120.0° |
C4 | C3 | O2 | 111.4° | 109.6° |
C4 | C3 | H3 | 108.3° | 109.6° |
C3 | C4 | C5 | 113.7° | 109.2° |
C3 | C4 | O3 | 108.8° | 109.5° |
C3 | C4 | H4 | 109.1° | 109.6° |
O2 | C3 | H3 | 107.2° | 109.6° |
C3 | O2 | C9 | 113.3° | 114.0° |
C5 | C4 | O3 | 108.9° | 109.5° |
C5 | C4 | H4 | 107.8° | 109.5° |
C4 | C5 | C6 | 112.7° | 109.5° |
C4 | C5 | O1 | 112.4° | 109.4° |
C4 | C5 | H5 | 107.2° | 109.5° |
O3 | C4 | H4 | 108.4° | 109.5° |
C4 | O3 | C15 | 111.9° | 114.0° |
C6 | C5 | O1 | 108.7° | 109.5° |
C6 | C5 | H5 | 107.8° | 109.5° |
C5 | C6 | O4 | 116.2° | 109.5° |
C5 | C6 | H6 | 107.7° | 109.5° |
C5 | C6 | H7 | 107.8° | 109.5° |
O1 | C5 | H5 | 107.8° | 109.4° |
O4 | C6 | H6 | 107.8° | 109.4° |
O4 | C6 | H7 | 107.8° | 109.4° |
C6 | O4 | H11 | 109.5° | 114.0° |
H6 | C6 | H7 | 109.5° | 109.5° |
C8 | C7 | O5 | 121.5° | 120.0° |
C8 | C7 | N1 | 119.8° | 120.0° |
C7 | C8 | H8 | 109.5° | 109.4° |
C7 | C8 | H9 | 109.5° | 109.4° |
C7 | C8 | H10 | 109.5° | 109.5° |
O5 | C7 | N1 | 118.7° | 120.0° |
C7 | N1 | H12 | 120.4° | 120.1° |
H8 | C8 | H9 | 109.5° | 109.4° |
H8 | C8 | H10 | 109.4° | 109.5° |
H9 | C8 | H10 | 109.5° | 109.5° |
C10 | C9 | O10 | 112.1° | 109.4° |
C10 | C9 | H14 | 107.7° | 109.5° |
C9 | C10 | C11 | 113.4° | 109.2° |
C9 | C10 | O7 | 108.7° | 109.6° |
C9 | C10 | H15 | 107.1° | 109.5° |
C10 | C9 | O2 | 109.8° | 109.5° |
O10 | C9 | H14 | 109.3° | 109.4° |
C9 | O10 | C13 | 112.1° | 114.1° |
O10 | C9 | O2 | 108.4° | 109.5° |
H14 | C9 | O2 | 109.4° | 109.5° |
C11 | C10 | O7 | 110.9° | 109.6° |
C11 | C10 | H15 | 107.7° | 109.5° |
C10 | C11 | C12 | 114.2° | 109.1° |
C10 | C11 | O8 | 110.9° | 109.5° |
C10 | C11 | H16 | 106.7° | 109.5° |
O7 | C10 | H15 | 108.9° | 109.6° |
C10 | O7 | H21 | 109.5° | 114.0° |
C12 | C11 | O8 | 110.7° | 109.6° |
C12 | C11 | H16 | 106.9° | 109.6° |
C11 | C12 | C13 | 110.3° | 109.1° |
C11 | C12 | O9 | 111.3° | 109.5° |
C11 | C12 | H17 | 108.5° | 109.5° |
O8 | C11 | H16 | 107.0° | 109.6° |
C11 | O8 | H22 | 109.5° | 114.1° |
C13 | C12 | O9 | 109.8° | 109.5° |
C13 | C12 | H17 | 107.9° | 109.6° |
C12 | C13 | C14 | 112.4° | 109.5° |
C12 | C13 | O10 | 110.0° | 109.4° |
C12 | C13 | H18 | 108.1° | 109.5° |
O9 | C12 | H17 | 109.0° | 109.6° |
C12 | O9 | H23 | 109.5° | 114.0° |
C14 | C13 | O10 | 109.5° | 109.5° |
C14 | C13 | H18 | 108.4° | 109.5° |
C13 | C14 | O11 | 118.0° | 109.4° |
C13 | C14 | H19 | 107.3° | 109.5° |
C13 | C14 | H20 | 107.3° | 109.5° |
O10 | C13 | H18 | 108.3° | 109.5° |
O11 | C14 | H19 | 107.3° | 109.5° |
O11 | C14 | H20 | 107.3° | 109.5° |
C14 | O11 | H24 | 109.5° | 114.0° |
H19 | C14 | H20 | 109.5° | 109.5° |
C16 | C15 | O15 | 111.9° | 109.4° |
C16 | C15 | H25 | 107.6° | 109.5° |
C15 | C16 | C17 | 110.5° | 109.2° |
C15 | C16 | O12 | 110.9° | 109.5° |
C15 | C16 | H26 | 107.5° | 109.5° |
C16 | C15 | O3 | 108.9° | 109.5° |
O15 | C15 | H25 | 109.2° | 109.5° |
C15 | O15 | C19 | 114.9° | 114.1° |
O15 | C15 | O3 | 109.9° | 109.5° |
H25 | C15 | O3 | 109.3° | 109.5° |
C17 | C16 | O12 | 110.2° | 109.6° |
C17 | C16 | H26 | 108.4° | 109.5° |
C16 | C17 | C18 | 111.2° | 109.0° |
C16 | C17 | O13 | 108.3° | 109.6° |
C16 | C17 | H27 | 109.2° | 109.5° |
O12 | C16 | H26 | 109.2° | 109.5° |
C16 | O12 | H33 | 109.5° | 114.0° |
C18 | C17 | O13 | 108.8° | 109.6° |
C18 | C17 | H27 | 109.8° | 109.5° |
C17 | C18 | C19 | 113.6° | 109.2° |
C17 | C18 | O14 | 106.1° | 109.6° |
C17 | C18 | H28 | 110.2° | 109.5° |
O13 | C17 | H27 | 109.5° | 109.6° |
C17 | O13 | H34 | 109.5° | 114.1° |
C19 | C18 | O14 | 108.2° | 109.5° |
C19 | C18 | H28 | 108.7° | 109.5° |
C18 | C19 | C20 | 109.6° | 109.5° |
C18 | C19 | O15 | 113.4° | 109.4° |
C18 | C19 | H29 | 107.9° | 109.5° |
O14 | C18 | H28 | 110.0° | 109.6° |
C18 | O14 | H35 | 109.5° | 114.0° |
C20 | C19 | O15 | 108.5° | 109.5° |
C20 | C19 | H29 | 108.9° | 109.5° |
C19 | C20 | H30 | 109.5° | 109.5° |
C19 | C20 | H31 | 109.4° | 109.5° |
C19 | C20 | H32 | 109.5° | 109.5° |
O15 | C19 | H29 | 108.6° | 109.5° |
H30 | C20 | H31 | 109.5° | 109.5° |
H30 | C20 | H32 | 109.5° | 109.5° |
H31 | C20 | H32 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O6 | 120.1° | 120.0° |
C2 | C1 | O1 | H1 | 120.2° | 120.0° |
C2 | C1 | O6 | H1 | 118.1° | 120.0° |
C1 | C2 | C3 | N1 | 122.2° | 119.9° |
C1 | C2 | C3 | H2 | 119.4° | 119.9° |
C1 | C2 | N1 | H2 | 117.0° | 120.2° |
C1 | C2 | C3 | C4 | 49.2° | 57.0° |
C1 | C2 | C3 | O2 | 173.7° | 176.8° |
C1 | C2 | C3 | H3 | 70.3° | 62.9° |
C2 | C1 | O1 | C5 | 54.9° | 61.1° |
C1 | C2 | N1 | C7 | 110.7° | 85.0° |
C1 | C2 | N1 | H12 | 69.3° | 95.0° |
C2 | C1 | O6 | H13 | 180.0° | 180.0° |
O1 | C1 | O6 | H1 | 120.0° | 120.0° |
O1 | C1 | C2 | C3 | 53.5° | 57.6° |
O1 | C1 | C2 | N1 | 176.4° | 177.5° |
O1 | C1 | C2 | H2 | 66.3° | 62.3° |
C1 | O1 | C5 | C4 | 52.6° | 61.1° |
C1 | O1 | C5 | C6 | 178.1° | 178.9° |
C1 | O1 | C5 | H5 | 65.3° | 58.9° |
O1 | C1 | O6 | H13 | 58.1° | 60.0° |
O6 | C1 | C2 | C3 | 66.2° | 62.4° |
O6 | C1 | C2 | N1 | 56.8° | 57.5° |
O6 | C1 | C2 | H2 | 174.0° | 177.7° |
O6 | C1 | O1 | C5 | 65.2° | 58.9° |
H1 | C1 | C2 | C3 | 174.8° | 177.5° |
H1 | C1 | C2 | N1 | 62.3° | 62.5° |
H1 | C1 | C2 | H2 | 55.0° | 57.7° |
H1 | C1 | O1 | C5 | 175.0° | 178.9° |
H1 | C1 | O6 | H13 | 61.9° | 60.0° |
C3 | C2 | N1 | H2 | 118.6° | 120.2° |
C2 | C3 | C4 | O2 | 123.2° | 119.9° |
C2 | C3 | C4 | H3 | 119.2° | 119.8° |
C2 | C3 | O2 | H3 | 116.4° | 120.2° |
C2 | C3 | C4 | C5 | 47.2° | 57.0° |
C2 | C3 | C4 | O3 | 168.7° | 176.9° |
C2 | C3 | C4 | H4 | 73.1° | 63.0° |
C3 | C2 | N1 | C7 | 124.9° | 155.3° |
C3 | C2 | N1 | H12 | 55.1° | 24.7° |
C2 | C3 | O2 | C9 | 107.0° | 90.0° |
N1 | C2 | C3 | C4 | 171.4° | 176.9° |
N1 | C2 | C3 | O2 | 64.1° | 63.3° |
N1 | C2 | C3 | H3 | 51.9° | 57.0° |
C2 | N1 | C7 | C8 | 179.7° | 180.0° |
C2 | N1 | C7 | O5 | 0.1° | 0.0° |
C2 | N1 | C7 | H12 | 180.0° | 180.0° |
H2 | C2 | C3 | C4 | 70.1° | 62.9° |
H2 | C2 | C3 | O2 | 54.3° | 56.9° |
H2 | C2 | C3 | H3 | 170.4° | 177.2° |
H2 | C2 | N1 | C7 | 6.3° | 35.1° |
H2 | C2 | N1 | H12 | 173.7° | 144.8° |
C4 | C3 | O2 | H3 | 118.3° | 120.3° |
C3 | C4 | C5 | O3 | 121.5° | 119.9° |
C3 | C4 | C5 | H4 | 121.1° | 120.0° |
C3 | C4 | O3 | H4 | 118.6° | 120.2° |
C3 | C4 | C5 | C6 | 171.7° | 177.6° |
C3 | C4 | C5 | O1 | 48.4° | 57.6° |
C3 | C4 | C5 | H5 | 69.9° | 62.4° |
C4 | C3 | O2 | C9 | 127.8° | 150.4° |
C3 | C4 | O3 | C15 | 141.2° | 141.1° |
O2 | C3 | C4 | C5 | 170.4° | 176.8° |
O2 | C3 | C4 | O3 | 68.1° | 63.3° |
O2 | C3 | C4 | H4 | 50.1° | 56.9° |
C3 | O2 | C9 | C10 | 169.7° | 175.0° |
C3 | O2 | C9 | O10 | 67.5° | 65.0° |
C3 | O2 | C9 | H14 | 51.7° | 55.0° |
H3 | C3 | C4 | C5 | 72.0° | 62.9° |
H3 | C3 | C4 | O3 | 49.6° | 57.0° |
H3 | C3 | C4 | H4 | 167.7° | 177.2° |
H3 | C3 | O2 | C9 | 9.4° | 30.2° |
C5 | C4 | O3 | H4 | 117.0° | 120.1° |
C4 | C5 | C6 | O1 | 125.3° | 120.0° |
C4 | C5 | C6 | H5 | 118.0° | 120.1° |
C4 | C5 | O1 | H5 | 117.9° | 120.0° |
C4 | C5 | C6 | O4 | 53.6° | 174.1° |
C4 | C5 | C6 | H6 | 174.5° | 54.1° |
C4 | C5 | C6 | H7 | 67.5° | 66.0° |
C5 | C4 | O3 | C15 | 94.4° | 99.2° |
O3 | C4 | C5 | C6 | 66.8° | 62.5° |
O3 | C4 | C5 | O1 | 169.9° | 177.5° |
O3 | C4 | C5 | H5 | 51.6° | 57.6° |
C4 | O3 | C15 | C16 | 161.1° | 170.7° |
C4 | O3 | C15 | O15 | 76.0° | 69.4° |
C4 | O3 | C15 | H25 | 43.9° | 50.6° |
H4 | C4 | C5 | C6 | 50.6° | 57.6° |
H4 | C4 | C5 | O1 | 72.6° | 62.4° |
H4 | C4 | C5 | H5 | 169.1° | 177.7° |
H4 | C4 | O3 | C15 | 22.6° | 20.9° |
C6 | C5 | O1 | H5 | 116.6° | 120.0° |
C5 | C6 | O4 | H6 | 121.0° | 120.0° |
C5 | C6 | O4 | H7 | 121.0° | 120.0° |
C5 | C6 | H6 | H7 | 116.9° | 120.1° |
C5 | C6 | O4 | H11 | 180.0° | 180.0° |
O1 | C5 | C6 | O4 | 71.7° | 65.9° |
O1 | C5 | C6 | H6 | 49.2° | 174.1° |
O1 | C5 | C6 | H7 | 167.2° | 54.0° |
H5 | C5 | C6 | O4 | 171.6° | 54.0° |
H5 | C5 | C6 | H6 | 67.4° | 65.9° |
H5 | C5 | C6 | H7 | 50.6° | 174.0° |
O4 | C6 | H6 | H7 | 116.9° | 119.9° |
H6 | C6 | O4 | H11 | 59.0° | 60.0° |
H7 | C6 | O4 | H11 | 59.0° | 60.0° |
C8 | C7 | O5 | N1 | 179.8° | 180.0° |
C7 | C8 | H8 | H9 | 120.0° | 119.9° |
C7 | C8 | H8 | H10 | 120.0° | 120.0° |
C7 | C8 | H9 | H10 | 120.0° | 120.0° |
C8 | C7 | N1 | H12 | 0.3° | 0.0° |
O5 | C7 | C8 | H8 | 0.0° | 90.0° |
O5 | C7 | C8 | H9 | 120.0° | 150.0° |
O5 | C7 | C8 | H10 | 120.0° | 30.0° |
O5 | C7 | N1 | H12 | 179.9° | 180.0° |
N1 | C7 | C8 | H8 | 179.8° | 90.0° |
N1 | C7 | C8 | H9 | 60.1° | 30.0° |
N1 | C7 | C8 | H10 | 59.9° | 150.0° |
H8 | C8 | H9 | H10 | 120.0° | 120.1° |
C10 | C9 | O10 | H14 | 119.4° | 119.9° |
C10 | C9 | O10 | O2 | 121.4° | 120.0° |
C10 | C9 | H14 | O2 | 119.3° | 120.0° |
C9 | C10 | C11 | O7 | 122.6° | 120.0° |
C9 | C10 | C11 | H15 | 118.3° | 119.8° |
C9 | C10 | O7 | H15 | 116.4° | 120.1° |
C9 | C10 | C11 | C12 | 45.1° | 56.9° |
C9 | C10 | C11 | O8 | 171.0° | 176.8° |
C9 | C10 | C11 | H16 | 72.8° | 63.0° |
C10 | C9 | O10 | C13 | 54.3° | 61.1° |
C9 | C10 | O7 | H21 | 180.0° | 59.9° |
O10 | C9 | H14 | O2 | 118.6° | 120.0° |
O10 | C9 | C10 | C11 | 46.2° | 57.5° |
O10 | C9 | C10 | O7 | 170.0° | 177.5° |
O10 | C9 | C10 | H15 | 72.5° | 62.3° |
C9 | O10 | C13 | C12 | 61.0° | 61.1° |
C9 | O10 | C13 | C14 | 175.0° | 178.9° |
C9 | O10 | C13 | H18 | 56.9° | 58.9° |
H14 | C9 | C10 | C11 | 74.1° | 62.4° |
H14 | C9 | C10 | O7 | 49.7° | 57.6° |
H14 | C9 | C10 | H15 | 167.2° | 177.7° |
H14 | C9 | O10 | C13 | 65.1° | 58.8° |
C11 | C10 | O7 | H15 | 118.4° | 120.2° |
C10 | C11 | C12 | O8 | 126.0° | 119.9° |
C10 | C11 | C12 | H16 | 117.7° | 119.8° |
C10 | C11 | O8 | H16 | 116.0° | 120.1° |
C10 | C11 | C12 | C13 | 51.2° | 56.9° |
C10 | C11 | C12 | O9 | 71.0° | 62.9° |
C10 | C11 | C12 | H17 | 169.2° | 176.9° |
C11 | C10 | O7 | H21 | 54.7° | 179.7° |
C10 | C11 | O8 | H22 | 180.0° | 60.0° |
C11 | C10 | C9 | O2 | 166.8° | 177.6° |
O7 | C10 | C11 | C12 | 167.7° | 176.9° |
O7 | C10 | C11 | O8 | 66.4° | 63.2° |
O7 | C10 | C11 | H16 | 49.8° | 57.0° |
O7 | C10 | C9 | O2 | 69.3° | 62.5° |
H15 | C10 | C11 | C12 | 73.2° | 62.9° |
H15 | C10 | C11 | O8 | 52.7° | 57.0° |
H15 | C10 | C11 | H16 | 168.9° | 177.2° |
H15 | C10 | O7 | H21 | 63.6° | 60.2° |
H15 | C10 | C9 | O2 | 48.1° | 57.7° |
C12 | C11 | O8 | H16 | 116.2° | 120.3° |
C11 | C12 | C13 | O9 | 123.0° | 119.8° |
C11 | C12 | C13 | H17 | 118.3° | 119.9° |
C11 | C12 | O9 | H17 | 119.5° | 120.2° |
C11 | C12 | C13 | C14 | 179.9° | 177.6° |
C11 | C12 | C13 | O10 | 57.7° | 57.5° |
C11 | C12 | C13 | H18 | 60.3° | 62.4° |
C12 | C11 | O8 | H22 | 52.2° | 179.6° |
C11 | C12 | O9 | H23 | 180.0° | 60.0° |
O8 | C11 | C12 | C13 | 177.2° | 176.8° |
O8 | C11 | C12 | O9 | 55.0° | 57.0° |
O8 | C11 | C12 | H17 | 64.8° | 63.3° |
H16 | C11 | C12 | C13 | 66.5° | 62.9° |
H16 | C11 | C12 | O9 | 171.3° | 177.2° |
H16 | C11 | C12 | H17 | 51.5° | 57.0° |
H16 | C11 | O8 | H22 | 64.0° | 60.1° |
C13 | C12 | O9 | H17 | 118.0° | 120.2° |
C12 | C13 | C14 | O10 | 122.6° | 120.0° |
C12 | C13 | C14 | H18 | 119.4° | 120.0° |
C12 | C13 | O10 | H18 | 117.9° | 120.0° |
C12 | C13 | C14 | O11 | 174.7° | 175.0° |
C12 | C13 | C14 | H19 | 53.5° | 55.0° |
C12 | C13 | C14 | H20 | 64.1° | 65.0° |
C13 | C12 | O9 | H23 | 57.5° | 179.6° |
O9 | C12 | C13 | C14 | 57.1° | 57.7° |
O9 | C12 | C13 | O10 | 65.3° | 62.3° |
O9 | C12 | C13 | H18 | 176.7° | 177.7° |
H17 | C12 | C13 | C14 | 61.6° | 62.5° |
H17 | C12 | C13 | O10 | 176.1° | 177.5° |
H17 | C12 | C13 | H18 | 58.0° | 57.5° |
H17 | C12 | O9 | H23 | 60.5° | 60.2° |
C14 | C13 | O10 | H18 | 118.1° | 120.0° |
C13 | C14 | O11 | H19 | 121.2° | 120.0° |
C13 | C14 | O11 | H20 | 121.2° | 120.0° |
C13 | C14 | H19 | H20 | 116.1° | 120.0° |
C13 | C14 | O11 | H24 | 180.0° | 179.9° |
O10 | C13 | C14 | O11 | 62.7° | 65.1° |
O10 | C13 | C14 | H19 | 176.1° | 175.0° |
O10 | C13 | C14 | H20 | 58.6° | 55.0° |
C13 | O10 | C9 | O2 | 175.7° | 178.9° |
H18 | C13 | C14 | O11 | 55.3° | 55.0° |
H18 | C13 | C14 | H19 | 65.9° | 65.0° |
H18 | C13 | C14 | H20 | 176.5° | 175.0° |
O11 | C14 | H19 | H20 | 116.2° | 120.1° |
H19 | C14 | O11 | H24 | 58.7° | 60.1° |
H20 | C14 | O11 | H24 | 58.8° | 59.9° |
C16 | C15 | O15 | H25 | 119.0° | 120.0° |
C16 | C15 | O15 | O3 | 121.1° | 120.0° |
C16 | C15 | H25 | O3 | 118.0° | 120.0° |
C15 | C16 | C17 | O12 | 122.9° | 120.0° |
C15 | C16 | C17 | H26 | 117.6° | 119.9° |
C15 | C16 | O12 | H26 | 118.3° | 120.1° |
C15 | C16 | C17 | C18 | 58.7° | 57.0° |
C15 | C16 | C17 | O13 | 178.2° | 176.9° |
C15 | C16 | C17 | H27 | 62.6° | 62.9° |
C16 | C15 | O15 | C19 | 49.2° | 61.1° |
C15 | C16 | O12 | H33 | 180.0° | 60.0° |
O15 | C15 | H25 | O3 | 120.3° | 120.0° |
O15 | C15 | C16 | C17 | 57.2° | 57.6° |
O15 | C15 | C16 | O12 | 179.7° | 177.5° |
O15 | C15 | C16 | H26 | 61.0° | 62.4° |
C15 | O15 | C19 | C18 | 42.6° | 61.1° |
C15 | O15 | C19 | C20 | 164.5° | 178.9° |
C15 | O15 | C19 | H29 | 77.3° | 58.9° |
H25 | C15 | C16 | C17 | 177.2° | 177.6° |
H25 | C15 | C16 | O12 | 60.3° | 62.4° |
H25 | C15 | C16 | H26 | 59.0° | 57.6° |
H25 | C15 | O15 | C19 | 168.3° | 178.8° |
C17 | C16 | O12 | H26 | 119.0° | 120.1° |
C16 | C17 | C18 | O13 | 119.2° | 119.9° |
C16 | C17 | C18 | H27 | 121.0° | 119.8° |
C16 | C17 | O13 | H27 | 119.0° | 120.2° |
C16 | C17 | C18 | C19 | 52.7° | 56.9° |
C16 | C17 | C18 | O14 | 66.1° | 63.0° |
C16 | C17 | C18 | H28 | 174.9° | 176.8° |
C17 | C16 | O12 | H33 | 57.3° | 179.7° |
C16 | C17 | O13 | H34 | 180.0° | 59.9° |
C17 | C16 | C15 | O3 | 64.5° | 62.4° |
O12 | C16 | C17 | C18 | 178.4° | 176.9° |
O12 | C16 | C17 | O13 | 58.8° | 63.2° |
O12 | C16 | C17 | H27 | 60.3° | 57.1° |
O12 | C16 | C15 | O3 | 58.0° | 57.6° |
H26 | C16 | C17 | C18 | 58.9° | 63.0° |
H26 | C16 | C17 | O13 | 60.6° | 57.0° |
H26 | C16 | C17 | H27 | 179.8° | 177.2° |
H26 | C16 | O12 | H33 | 61.7° | 60.1° |
H26 | C16 | C15 | O3 | 177.4° | 177.7° |
C18 | C17 | O13 | H27 | 120.0° | 120.2° |
C17 | C18 | C19 | O14 | 117.5° | 119.9° |
C17 | C18 | C19 | H28 | 123.1° | 119.9° |
C17 | C18 | O14 | H28 | 119.2° | 120.2° |
C17 | C18 | C19 | C20 | 165.2° | 177.6° |
C17 | C18 | C19 | O15 | 43.9° | 57.6° |
C17 | C18 | C19 | H29 | 76.4° | 62.4° |
C18 | C17 | O13 | H34 | 59.0° | 179.5° |
C17 | C18 | O14 | H35 | 180.0° | 180.0° |
O13 | C17 | C18 | C19 | 171.9° | 176.9° |
O13 | C17 | C18 | O14 | 53.2° | 57.0° |
O13 | C17 | C18 | H28 | 65.8° | 63.3° |
H27 | C17 | C18 | C19 | 68.3° | 62.9° |
H27 | C17 | C18 | O14 | 173.0° | 177.2° |
H27 | C17 | C18 | H28 | 54.0° | 57.0° |
H27 | C17 | O13 | H34 | 61.0° | 60.2° |
C19 | C18 | O14 | H28 | 118.5° | 120.1° |
C18 | C19 | C20 | O15 | 124.3° | 119.9° |
C18 | C19 | C20 | H29 | 117.7° | 120.0° |
C18 | C19 | O15 | H29 | 119.9° | 120.0° |
C18 | C19 | C20 | H30 | 180.0° | 60.0° |
C18 | C19 | C20 | H31 | 60.0° | 180.0° |
C18 | C19 | C20 | H32 | 60.0° | 60.0° |
C19 | C18 | O14 | H35 | 57.7° | 60.3° |
O14 | C18 | C19 | C20 | 47.7° | 57.7° |
O14 | C18 | C19 | O15 | 73.7° | 62.3° |
O14 | C18 | C19 | H29 | 166.0° | 177.6° |
H28 | C18 | C19 | C20 | 71.7° | 62.5° |
H28 | C18 | C19 | O15 | 167.0° | 177.5° |
H28 | C18 | C19 | H29 | 46.7° | 57.5° |
H28 | C18 | O14 | H35 | 60.8° | 59.8° |
C20 | C19 | O15 | H29 | 118.2° | 120.0° |
C19 | C20 | H30 | H31 | 120.0° | 120.0° |
C19 | C20 | H30 | H32 | 120.0° | 120.0° |
C19 | C20 | H31 | H32 | 120.0° | 120.0° |
O15 | C19 | C20 | H30 | 55.7° | 179.9° |
O15 | C19 | C20 | H31 | 64.3° | 60.1° |
O15 | C19 | C20 | H32 | 175.7° | 59.9° |
C19 | O15 | C15 | O3 | 71.9° | 58.8° |
H29 | C19 | C20 | H30 | 62.3° | 60.0° |
H29 | C19 | C20 | H31 | 177.7° | 60.0° |
H29 | C19 | C20 | H32 | 57.8° | 180.0° |
H30 | C20 | H31 | H32 | 120.0° | 120.0° |