PRD_002470
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.54Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.47Å | |
C2 | O5 | sing | 1.44Å | 1.40Å | |
C3 | C4 | sing | 1.55Å | 1.39Å | |
C3 | O3 | sing | 1.43Å | 1.40Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.55Å | 1.47Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.48Å | |
C5 | O5 | sing | 1.44Å | 1.40Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.40Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
O1 | H8 | sing | 0.97Å | 0.95Å | |
O3 | H9 | sing | 0.97Å | 0.95Å | |
O6 | H10 | sing | 0.97Å | 0.95Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | O10 | sing | 1.43Å | 1.42Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C8 | O7 | sing | 1.43Å | 1.41Å | |
C8 | H12 | sing | 1.09Å | 1.10Å | |
C9 | C10 | sing | 1.53Å | 1.45Å | |
C9 | O8 | sing | 1.43Å | 1.45Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.53Å | 1.52Å | |
C10 | O9 | sing | 1.43Å | 1.45Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.53Å | 1.46Å | |
C11 | O10 | sing | 1.43Å | 1.51Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C12 | O11 | sing | 1.43Å | 1.39Å | |
C12 | H16 | sing | 1.09Å | 1.10Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
O7 | H18 | sing | 0.97Å | 0.95Å | |
O8 | H19 | sing | 0.97Å | 0.95Å | |
O9 | H20 | sing | 0.97Å | 0.95Å | |
O11 | H21 | sing | 0.97Å | 0.95Å | |
C16 | O17 | sing | 1.43Å | 1.42Å | |
C16 | C15 | sing | 1.53Å | 1.52Å | |
O17 | C17 | sing | 1.43Å | 1.42Å | |
O18 | C17 | sing | 1.43Å | 1.37Å | |
C17 | C13 | sing | 1.53Å | 1.51Å | |
C15 | O16 | sing | 1.43Å | 1.43Å | |
C15 | C14 | sing | 1.53Å | 1.42Å | |
C14 | C13 | sing | 1.53Å | 1.42Å | |
C14 | O15 | sing | 1.43Å | 1.47Å | |
C13 | O14 | sing | 1.43Å | 1.46Å | |
O14 | P1 | sing | 1.61Å | 1.58Å | |
P1 | O13 | doub | 1.48Å | 1.50Å | |
P1 | O12 | sing | 1.61Å | 1.50Å | |
O12 | H22 | sing | 0.97Å | 0.95Å | |
C13 | H23 | sing | 1.09Å | 1.10Å | |
C14 | H24 | sing | 1.09Å | 1.10Å | |
O15 | H25 | sing | 0.97Å | 0.95Å | |
C15 | H26 | sing | 1.09Å | 1.10Å | |
O16 | H27 | sing | 0.97Å | 0.95Å | |
C16 | H28 | sing | 1.09Å | 1.10Å | |
C16 | H29 | sing | 1.09Å | 1.10Å | |
C17 | H30 | sing | 1.09Å | 1.10Å | |
O18 | H31 | sing | 0.97Å | 0.95Å | |
O2 | C7 | sing | 1.43Å | 1.42Å | |
O4 | P1 | sing | 1.61Å | 1.62Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 117.8° | 109.5° |
C2 | C1 | H1 | 107.4° | 109.4° |
C2 | C1 | H2 | 107.4° | 109.5° |
C1 | C2 | C3 | 110.0° | 109.8° |
C1 | C2 | O2 | 109.1° | 109.9° |
C1 | C2 | O5 | 114.0° | 109.8° |
O1 | C1 | H1 | 107.4° | 109.5° |
O1 | C1 | H2 | 107.3° | 109.5° |
C1 | O1 | H8 | 109.5° | 114.0° |
H1 | C1 | H2 | 109.5° | 109.5° |
C3 | C2 | O2 | 106.1° | 109.9° |
C3 | C2 | O5 | 102.4° | 107.3° |
C2 | C3 | C4 | 102.8° | 104.2° |
C2 | C3 | O3 | 113.7° | 110.5° |
C2 | C3 | H3 | 108.3° | 110.5° |
O2 | C2 | O5 | 114.6° | 110.0° |
C2 | O2 | C7 | 121.4° | 114.0° |
C2 | O5 | C5 | 109.3° | 107.0° |
C4 | C3 | O3 | 112.2° | 110.4° |
C4 | C3 | H3 | 109.9° | 110.5° |
C3 | C4 | C5 | 103.4° | 102.1° |
C3 | C4 | O4 | 109.5° | 110.9° |
C3 | C4 | H4 | 112.2° | 110.9° |
O3 | C3 | H3 | 109.7° | 110.5° |
C3 | O3 | H9 | 109.5° | 114.0° |
C5 | C4 | O4 | 109.2° | 110.9° |
C5 | C4 | H4 | 110.8° | 110.9° |
C4 | C5 | C6 | 109.5° | 110.6° |
C4 | C5 | O5 | 105.6° | 103.5° |
C4 | C5 | H5 | 109.2° | 110.6° |
O4 | C4 | H4 | 111.5° | 110.8° |
C4 | O4 | P1 | 123.1° | 123.0° |
C6 | C5 | O5 | 112.9° | 110.7° |
C6 | C5 | H5 | 109.1° | 110.6° |
C5 | C6 | O6 | 117.6° | 109.5° |
C5 | C6 | H6 | 107.4° | 109.4° |
C5 | C6 | H7 | 107.4° | 109.4° |
O5 | C5 | H5 | 110.3° | 110.7° |
O6 | C6 | H6 | 107.4° | 109.5° |
O6 | C6 | H7 | 107.4° | 109.5° |
C6 | O6 | H10 | 109.5° | 114.0° |
H6 | C6 | H7 | 109.5° | 109.5° |
C8 | C7 | O10 | 112.8° | 109.4° |
C8 | C7 | H11 | 106.6° | 109.4° |
C7 | C8 | C9 | 114.5° | 109.1° |
C7 | C8 | O7 | 110.6° | 109.5° |
C7 | C8 | H12 | 105.8° | 109.5° |
C8 | C7 | O2 | 111.0° | 109.5° |
O10 | C7 | H11 | 107.7° | 109.5° |
C7 | O10 | C11 | 117.7° | 114.1° |
O10 | C7 | O2 | 110.8° | 109.5° |
H11 | C7 | O2 | 107.7° | 109.5° |
C9 | C8 | O7 | 112.3° | 109.6° |
C9 | C8 | H12 | 105.9° | 109.5° |
C8 | C9 | C10 | 119.8° | 109.1° |
C8 | C9 | O8 | 111.6° | 109.6° |
C8 | C9 | H13 | 104.5° | 109.5° |
O7 | C8 | H12 | 107.0° | 109.6° |
C8 | O7 | H18 | 109.5° | 114.0° |
C10 | C9 | O8 | 109.1° | 109.5° |
C10 | C9 | H13 | 105.2° | 109.6° |
C9 | C10 | C11 | 118.1° | 109.2° |
C9 | C10 | O9 | 109.4° | 109.5° |
C9 | C10 | H14 | 104.3° | 109.6° |
O8 | C9 | H13 | 105.2° | 109.6° |
C9 | O8 | H19 | 109.5° | 113.9° |
C11 | C10 | O9 | 115.3° | 109.5° |
C11 | C10 | H14 | 103.6° | 109.5° |
C10 | C11 | C12 | 117.7° | 109.5° |
C10 | C11 | O10 | 113.8° | 109.4° |
C10 | C11 | H15 | 104.8° | 109.4° |
O9 | C10 | H14 | 104.3° | 109.5° |
C10 | O9 | H20 | 109.5° | 114.0° |
C12 | C11 | O10 | 109.0° | 109.5° |
C12 | C11 | H15 | 105.5° | 109.5° |
C11 | C12 | O11 | 119.0° | 109.5° |
C11 | C12 | H16 | 107.0° | 109.5° |
C11 | C12 | H17 | 107.0° | 109.5° |
O10 | C11 | H15 | 104.9° | 109.5° |
O11 | C12 | H16 | 107.0° | 109.4° |
O11 | C12 | H17 | 107.0° | 109.4° |
C12 | O11 | H21 | 109.5° | 114.0° |
H16 | C12 | H17 | 109.5° | 109.5° |
O17 | C16 | C15 | 114.1° | 109.4° |
C16 | O17 | C17 | 116.2° | 114.2° |
O17 | C16 | H28 | 108.3° | 109.4° |
O17 | C16 | H29 | 108.3° | 109.5° |
C16 | C15 | O16 | 108.2° | 109.6° |
C16 | C15 | C14 | 115.2° | 109.2° |
C16 | C15 | H26 | 106.6° | 109.6° |
C15 | C16 | H28 | 108.3° | 109.5° |
C15 | C16 | H29 | 108.3° | 109.5° |
O17 | C17 | O18 | 107.7° | 109.5° |
O17 | C17 | C13 | 112.8° | 109.4° |
O17 | C17 | H30 | 109.7° | 109.4° |
O18 | C17 | C13 | 107.7° | 109.5° |
O18 | C17 | H30 | 110.3° | 109.6° |
C17 | O18 | H31 | 109.5° | 114.0° |
C17 | C13 | C14 | 112.2° | 109.2° |
C17 | C13 | O14 | 110.7° | 109.5° |
C17 | C13 | H23 | 107.6° | 109.5° |
C13 | C17 | H30 | 108.5° | 109.4° |
O16 | C15 | C14 | 111.1° | 109.5° |
O16 | C15 | H26 | 107.7° | 109.5° |
C15 | O16 | H27 | 109.5° | 114.0° |
C15 | C14 | C13 | 116.2° | 109.0° |
C15 | C14 | O15 | 111.2° | 109.6° |
C15 | C14 | H24 | 107.1° | 109.7° |
C14 | C15 | H26 | 107.7° | 109.5° |
C13 | C14 | O15 | 108.2° | 109.5° |
C14 | C13 | O14 | 109.3° | 109.5° |
C14 | C13 | H23 | 108.7° | 109.5° |
C13 | C14 | H24 | 107.2° | 109.5° |
O15 | C14 | H24 | 106.5° | 109.5° |
C14 | O15 | H25 | 109.5° | 114.0° |
C13 | O14 | P1 | 124.0° | 123.0° |
O14 | C13 | H23 | 108.2° | 109.6° |
O14 | P1 | O13 | 111.1° | 109.5° |
O14 | P1 | O12 | 106.8° | 109.5° |
O14 | P1 | O4 | 112.3° | 109.5° |
O13 | P1 | O12 | 110.4° | 109.5° |
O13 | P1 | O4 | 104.3° | 109.4° |
P1 | O12 | H22 | 109.5° | 114.0° |
O12 | P1 | O4 | 111.9° | 109.5° |
H28 | C16 | H29 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | H1 | 121.2° | 119.9° |
C2 | C1 | O1 | H2 | 121.2° | 120.0° |
C2 | C1 | H1 | H2 | 116.2° | 120.0° |
C1 | C2 | C3 | O2 | 117.9° | 121.0° |
C1 | C2 | C3 | O5 | 121.6° | 119.4° |
C1 | C2 | O2 | O5 | 129.3° | 121.0° |
C1 | C2 | C3 | C4 | 158.9° | 117.4° |
C1 | C2 | C3 | O3 | 79.6° | 124.0° |
C1 | C2 | C3 | H3 | 42.6° | 1.3° |
C1 | C2 | O5 | C5 | 138.4° | 92.9° |
C2 | C1 | O1 | H8 | 180.0° | 179.9° |
C1 | C2 | O2 | C7 | 82.6° | 66.8° |
O1 | C1 | H1 | H2 | 116.2° | 120.0° |
O1 | C1 | C2 | C3 | 90.9° | 173.1° |
O1 | C1 | C2 | O2 | 25.2° | 65.9° |
O1 | C1 | C2 | O5 | 154.8° | 55.3° |
H1 | C1 | C2 | C3 | 30.3° | 67.0° |
H1 | C1 | C2 | O2 | 146.4° | 54.1° |
H1 | C1 | C2 | O5 | 84.0° | 175.2° |
H1 | C1 | O1 | H8 | 58.8° | 60.0° |
H2 | C1 | C2 | C3 | 147.9° | 53.1° |
H2 | C1 | C2 | O2 | 96.0° | 174.1° |
H2 | C1 | C2 | O5 | 33.6° | 64.7° |
H2 | C1 | O1 | H8 | 58.8° | 60.0° |
C3 | C2 | O2 | O5 | 112.2° | 118.0° |
C2 | C3 | C4 | O3 | 122.5° | 118.6° |
C2 | C3 | C4 | H3 | 115.1° | 118.7° |
C2 | C3 | O3 | H3 | 121.4° | 122.7° |
C2 | C3 | C4 | C5 | 39.7° | 20.9° |
C2 | C3 | C4 | O4 | 155.9° | 139.1° |
C2 | C3 | C4 | H4 | 79.7° | 97.3° |
C3 | C2 | O5 | C5 | 19.6° | 26.4° |
C2 | C3 | O3 | H9 | 180.0° | 180.0° |
C3 | C2 | O2 | C7 | 158.9° | 172.2° |
O2 | C2 | C3 | C4 | 83.2° | 121.6° |
O2 | C2 | C3 | O3 | 38.3° | 3.0° |
O2 | C2 | C3 | H3 | 160.5° | 119.7° |
O2 | C2 | O5 | C5 | 94.9° | 146.0° |
C2 | O2 | C7 | C8 | 141.9° | 169.6° |
C2 | O2 | C7 | O10 | 91.9° | 70.5° |
C2 | O2 | C7 | H11 | 25.6° | 49.6° |
O5 | C2 | C3 | C4 | 37.3° | 2.0° |
O5 | C2 | C3 | O3 | 158.8° | 116.6° |
O5 | C2 | C3 | H3 | 79.0° | 120.7° |
C2 | O5 | C5 | C4 | 4.1° | 40.0° |
C2 | O5 | C5 | C6 | 123.8° | 158.5° |
C2 | O5 | C5 | H5 | 113.8° | 78.5° |
O5 | C2 | O2 | C7 | 46.7° | 54.2° |
C4 | C3 | O3 | H3 | 122.5° | 122.6° |
C3 | C4 | C5 | O4 | 116.4° | 118.2° |
C3 | C4 | C5 | H4 | 120.4° | 118.2° |
C3 | C4 | O4 | H4 | 124.7° | 123.7° |
C3 | C4 | C5 | C6 | 150.3° | 155.5° |
C3 | C4 | C5 | O5 | 28.4° | 37.0° |
C3 | C4 | C5 | H5 | 90.2° | 81.6° |
C4 | C3 | O3 | H9 | 63.9° | 65.3° |
C3 | C4 | O4 | P1 | 143.3° | 120.0° |
O3 | C3 | C4 | C5 | 162.3° | 139.6° |
O3 | C3 | C4 | O4 | 81.5° | 102.2° |
O3 | C3 | C4 | H4 | 42.8° | 21.3° |
H3 | C3 | C4 | C5 | 75.4° | 97.8° |
H3 | C3 | C4 | O4 | 40.9° | 20.4° |
H3 | C3 | C4 | H4 | 165.2° | 143.9° |
H3 | C3 | O3 | H9 | 58.6° | 57.3° |
C5 | C4 | O4 | H4 | 122.8° | 123.6° |
C4 | C5 | C6 | O5 | 117.4° | 114.1° |
C4 | C5 | C6 | H5 | 119.5° | 122.9° |
C4 | C5 | O5 | H5 | 117.9° | 118.5° |
C4 | C5 | C6 | O6 | 130.1° | 175.0° |
C4 | C5 | C6 | H6 | 108.7° | 55.0° |
C4 | C5 | C6 | H7 | 9.0° | 65.0° |
C5 | C4 | O4 | P1 | 104.2° | 127.3° |
O4 | C4 | C5 | C6 | 93.2° | 86.2° |
O4 | C4 | C5 | O5 | 144.9° | 155.2° |
O4 | C4 | C5 | H5 | 26.2° | 36.6° |
C4 | O4 | P1 | O14 | 82.7° | 174.9° |
C4 | O4 | P1 | O13 | 157.0° | 55.0° |
C4 | O4 | P1 | O12 | 37.5° | 65.0° |
H4 | C4 | C5 | C6 | 30.0° | 37.3° |
H4 | C4 | C5 | O5 | 91.9° | 81.2° |
H4 | C4 | C5 | H5 | 149.4° | 160.2° |
H4 | C4 | O4 | P1 | 18.5° | 3.7° |
C6 | C5 | O5 | H5 | 122.4° | 122.9° |
C5 | C6 | O6 | H6 | 121.1° | 120.0° |
C5 | C6 | O6 | H7 | 121.1° | 119.9° |
C5 | C6 | H6 | H7 | 116.3° | 119.9° |
C5 | C6 | O6 | H10 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 12.8° | 70.9° |
O5 | C5 | C6 | H6 | 133.9° | 169.1° |
O5 | C5 | C6 | H7 | 108.4° | 49.1° |
H5 | C5 | C6 | O6 | 110.3° | 52.1° |
H5 | C5 | C6 | H6 | 10.8° | 67.9° |
H5 | C5 | C6 | H7 | 128.5° | 172.1° |
O6 | C6 | H6 | H7 | 116.4° | 120.1° |
H6 | C6 | O6 | H10 | 58.9° | 60.0° |
H7 | C6 | O6 | H10 | 58.9° | 60.1° |
C8 | C7 | O10 | H11 | 117.3° | 120.0° |
C8 | C7 | O10 | O2 | 125.1° | 120.0° |
C8 | C7 | H11 | O2 | 119.1° | 120.0° |
C7 | C8 | C9 | O7 | 127.2° | 119.9° |
C7 | C8 | C9 | H12 | 116.3° | 119.8° |
C7 | C8 | O7 | H12 | 114.8° | 120.1° |
C7 | C8 | C9 | C10 | 3.1° | 57.0° |
C7 | C8 | C9 | O8 | 132.5° | 62.9° |
C7 | C8 | C9 | H13 | 114.3° | 176.9° |
C8 | C7 | O10 | C11 | 54.4° | 61.2° |
C7 | C8 | O7 | H18 | 180.0° | 60.0° |
O10 | C7 | H11 | O2 | 119.5° | 120.1° |
O10 | C7 | C8 | C9 | 37.0° | 57.6° |
O10 | C7 | C8 | O7 | 165.2° | 177.5° |
O10 | C7 | C8 | H12 | 79.2° | 62.3° |
C7 | O10 | C11 | C10 | 29.3° | 61.2° |
C7 | O10 | C11 | C12 | 162.8° | 178.9° |
C7 | O10 | C11 | H15 | 84.7° | 58.8° |
H11 | C7 | C8 | C9 | 155.0° | 177.6° |
H11 | C7 | C8 | O7 | 76.8° | 62.5° |
H11 | C7 | C8 | H12 | 38.7° | 57.8° |
H11 | C7 | O10 | C11 | 171.8° | 178.9° |
C9 | C8 | O7 | H12 | 115.8° | 120.2° |
C8 | C9 | C10 | O8 | 130.5° | 119.9° |
C8 | C9 | C10 | H13 | 117.1° | 119.9° |
C8 | C9 | O8 | H13 | 112.8° | 120.2° |
C8 | C9 | C10 | C11 | 27.9° | 57.0° |
C8 | C9 | C10 | O9 | 162.6° | 62.9° |
C8 | C9 | C10 | H14 | 86.3° | 176.9° |
C9 | C8 | O7 | H18 | 50.7° | 179.7° |
C8 | C9 | O8 | H19 | 180.0° | 60.0° |
C9 | C8 | C7 | O2 | 88.0° | 62.4° |
O7 | C8 | C9 | C10 | 124.1° | 176.8° |
O7 | C8 | C9 | O8 | 5.2° | 57.0° |
O7 | C8 | C9 | H13 | 118.4° | 63.3° |
O7 | C8 | C7 | O2 | 40.2° | 57.5° |
H12 | C8 | C9 | C10 | 119.4° | 62.9° |
H12 | C8 | C9 | O8 | 111.3° | 177.3° |
H12 | C8 | C9 | H13 | 1.9° | 57.0° |
H12 | C8 | O7 | H18 | 65.1° | 60.1° |
H12 | C8 | C7 | O2 | 155.7° | 177.7° |
C10 | C9 | O8 | H13 | 112.5° | 120.2° |
C9 | C10 | C11 | O9 | 132.1° | 119.9° |
C9 | C10 | C11 | H14 | 114.6° | 120.0° |
C9 | C10 | O9 | H14 | 111.1° | 120.2° |
C9 | C10 | C11 | C12 | 116.8° | 177.6° |
C9 | C10 | C11 | O10 | 12.4° | 57.6° |
C9 | C10 | C11 | H15 | 126.5° | 62.4° |
C10 | C9 | O8 | H19 | 45.3° | 179.6° |
C9 | C10 | O9 | H20 | 180.0° | 60.0° |
O8 | C9 | C10 | C11 | 158.4° | 62.9° |
O8 | C9 | C10 | O9 | 66.9° | 177.2° |
O8 | C9 | C10 | H14 | 44.2° | 57.0° |
H13 | C9 | C10 | C11 | 89.2° | 176.9° |
H13 | C9 | C10 | O9 | 45.5° | 57.0° |
H13 | C9 | C10 | H14 | 156.6° | 63.2° |
H13 | C9 | O8 | H19 | 67.2° | 60.2° |
C11 | C10 | O9 | H14 | 112.8° | 120.2° |
C10 | C11 | C12 | O10 | 131.4° | 119.9° |
C10 | C11 | C12 | H15 | 116.4° | 119.9° |
C10 | C11 | O10 | H15 | 114.0° | 119.9° |
C10 | C11 | C12 | O11 | 64.4° | 175.0° |
C10 | C11 | C12 | H16 | 174.3° | 55.0° |
C10 | C11 | C12 | H17 | 57.0° | 65.0° |
C11 | C10 | O9 | H20 | 43.9° | 179.7° |
O9 | C10 | C11 | C12 | 15.3° | 57.7° |
O9 | C10 | C11 | O10 | 144.5° | 62.3° |
O9 | C10 | C11 | H15 | 101.4° | 177.7° |
H14 | C10 | C11 | C12 | 128.5° | 62.5° |
H14 | C10 | C11 | O10 | 102.2° | 177.5° |
H14 | C10 | C11 | H15 | 11.8° | 57.5° |
H14 | C10 | O9 | H20 | 68.9° | 60.2° |
C12 | C11 | O10 | H15 | 112.6° | 120.1° |
C11 | C12 | O11 | H16 | 121.3° | 120.1° |
C11 | C12 | O11 | H17 | 121.3° | 120.0° |
C11 | C12 | H16 | H17 | 115.7° | 120.0° |
C11 | C12 | O11 | H21 | 180.0° | 180.0° |
O10 | C11 | C12 | O11 | 67.1° | 65.1° |
O10 | C11 | C12 | H16 | 54.3° | 174.9° |
O10 | C11 | C12 | H17 | 171.6° | 54.9° |
C11 | O10 | C7 | O2 | 70.7° | 58.8° |
H15 | C11 | C12 | O11 | 179.3° | 55.0° |
H15 | C11 | C12 | H16 | 57.9° | 65.0° |
H15 | C11 | C12 | H17 | 59.4° | 175.0° |
O11 | C12 | H16 | H17 | 115.7° | 119.9° |
H16 | C12 | O11 | H21 | 58.7° | 60.0° |
H17 | C12 | O11 | H21 | 58.6° | 60.0° |
O17 | C16 | C15 | H28 | 120.7° | 119.9° |
O17 | C16 | C15 | H29 | 120.7° | 120.1° |
C16 | O17 | C17 | O18 | 168.0° | 178.9° |
C16 | O17 | C17 | C13 | 49.2° | 61.0° |
O17 | C16 | C15 | O16 | 87.9° | 62.3° |
O17 | C16 | C15 | C14 | 37.2° | 57.6° |
O17 | C16 | C15 | H26 | 156.6° | 177.5° |
O17 | C16 | H28 | H29 | 117.9° | 120.1° |
C16 | O17 | C17 | H30 | 71.9° | 58.8° |
C15 | C16 | O17 | C17 | 42.2° | 61.1° |
C16 | C15 | O16 | C14 | 127.4° | 119.7° |
C16 | C15 | O16 | H26 | 114.8° | 120.2° |
C16 | C15 | C14 | H26 | 118.8° | 120.0° |
C16 | C15 | C14 | C13 | 41.3° | 57.0° |
C16 | C15 | C14 | O15 | 165.7° | 176.9° |
C16 | C15 | C14 | H24 | 78.3° | 62.9° |
C16 | C15 | O16 | H27 | 180.0° | 60.2° |
C15 | C16 | H28 | H29 | 117.9° | 120.0° |
O17 | C17 | O18 | C13 | 122.0° | 120.0° |
O17 | C17 | O18 | H30 | 119.8° | 120.1° |
O17 | C17 | C13 | H30 | 121.8° | 119.9° |
O17 | C17 | C13 | C14 | 50.7° | 57.5° |
O17 | C17 | C13 | O14 | 173.1° | 177.4° |
O17 | C17 | C13 | H23 | 68.9° | 62.4° |
C17 | O17 | C16 | H28 | 162.9° | 58.8° |
C17 | O17 | C16 | H29 | 78.5° | 178.8° |
O17 | C17 | O18 | H31 | 180.0° | 60.1° |
O18 | C17 | C13 | H30 | 119.4° | 120.1° |
O18 | C17 | C13 | C14 | 169.4° | 177.5° |
O18 | C17 | C13 | O14 | 68.2° | 62.6° |
O18 | C17 | C13 | H23 | 49.9° | 57.6° |
C17 | C13 | C14 | C15 | 47.6° | 56.9° |
C17 | C13 | C14 | O14 | 123.2° | 119.9° |
C17 | C13 | C14 | H23 | 118.8° | 119.9° |
C17 | C13 | C14 | O15 | 173.5° | 176.8° |
C17 | C13 | O14 | H23 | 117.7° | 120.2° |
C17 | C13 | O14 | P1 | 106.1° | 120.1° |
C17 | C13 | C14 | H24 | 72.0° | 63.0° |
C13 | C17 | O18 | H31 | 58.0° | 180.0° |
O16 | C15 | C14 | H26 | 117.8° | 120.1° |
O16 | C15 | C14 | C13 | 82.1° | 63.0° |
O16 | C15 | C14 | O15 | 42.2° | 56.9° |
O16 | C15 | C14 | H24 | 158.2° | 177.2° |
O16 | C15 | C16 | H28 | 32.9° | 177.7° |
O16 | C15 | C16 | H29 | 151.5° | 57.7° |
C15 | C14 | C13 | O15 | 125.9° | 119.9° |
C15 | C14 | C13 | H24 | 119.6° | 120.0° |
C15 | C14 | O15 | H24 | 116.3° | 120.3° |
C15 | C14 | C13 | O14 | 170.8° | 176.9° |
C15 | C14 | C13 | H23 | 71.2° | 63.0° |
C15 | C14 | O15 | H25 | 180.0° | 60.5° |
C14 | C15 | O16 | H27 | 52.6° | 180.0° |
C14 | C15 | C16 | H28 | 157.9° | 62.3° |
C14 | C15 | C16 | H29 | 83.5° | 177.7° |
C13 | C14 | O15 | H24 | 114.9° | 120.1° |
C14 | C13 | O14 | H23 | 118.3° | 120.1° |
C14 | C13 | O14 | P1 | 129.8° | 120.2° |
C13 | C14 | O15 | H25 | 51.3° | 180.0° |
C13 | C14 | C15 | H26 | 160.1° | 177.0° |
C14 | C13 | C17 | H30 | 71.1° | 62.4° |
O15 | C14 | C13 | O14 | 63.3° | 63.2° |
O15 | C14 | C13 | H23 | 54.6° | 56.9° |
O15 | C14 | C15 | H26 | 75.5° | 63.2° |
C13 | O14 | P1 | O13 | 24.3° | 55.1° |
C13 | O14 | P1 | O12 | 144.8° | 64.9° |
O14 | C13 | C14 | H24 | 51.2° | 56.9° |
O14 | C13 | C17 | H30 | 51.3° | 57.5° |
C13 | O14 | P1 | O4 | 92.1° | 175.0° |
O14 | P1 | O13 | O12 | 118.3° | 120.1° |
O14 | P1 | O13 | O4 | 121.2° | 120.0° |
O14 | P1 | O12 | O4 | 123.4° | 120.0° |
O14 | P1 | O12 | H22 | 120.9° | 60.0° |
P1 | O14 | C13 | H23 | 11.5° | 0.1° |
O13 | P1 | O12 | O4 | 115.7° | 120.0° |
O13 | P1 | O12 | H22 | 0.0° | 180.0° |
H22 | O12 | P1 | O4 | 115.8° | 60.0° |
H23 | C13 | C14 | H24 | 169.1° | 177.0° |
H23 | C13 | C17 | H30 | 169.4° | 177.7° |
H24 | C14 | O15 | H25 | 63.7° | 59.9° |
H24 | C14 | C15 | H26 | 40.4° | 57.1° |
H26 | C15 | O16 | H27 | 65.2° | 60.0° |
H26 | C15 | C16 | H28 | 82.7° | 57.6° |
H26 | C15 | C16 | H29 | 35.9° | 62.4° |
H30 | C17 | O18 | H31 | 60.2° | 60.0° |