PRD_900043
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C27 | sing | 1.43Å | 1.44Å | |
| O9 | C24 | sing | 1.43Å | 1.44Å | |
| C27 | C24 | sing | 1.53Å | 1.53Å | |
| C27 | C16 | sing | 1.53Å | 1.53Å | |
| C24 | C21 | sing | 1.53Å | 1.54Å | |
| O13 | C16 | sing | 1.43Å | 1.45Å | |
| C16 | C29 | sing | 1.53Å | 1.52Å | |
| C21 | O6 | sing | 1.43Å | 1.44Å | |
| C21 | O15 | sing | 1.43Å | 1.43Å | |
| O6 | C13 | sing | 1.43Å | 1.45Å | |
| O5 | C3 | sing | 1.43Å | 1.43Å | |
| C29 | O15 | sing | 1.43Å | 1.44Å | |
| C29 | C32 | sing | 1.53Å | 1.52Å | |
| O17 | C32 | sing | 1.45Å | 1.43Å | |
| O17 | C4 | sing | 1.34Å | 1.44Å | |
| O3 | C18 | sing | 1.43Å | 1.44Å | |
| C13 | C3 | sing | 1.54Å | 1.53Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | O2 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C4 | O7 | doub | 1.21Å | 1.23Å | |
| C2 | O4 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.55Å | 1.52Å | |
| O1 | C17 | sing | 1.43Å | 1.42Å | |
| O2 | C1 | sing | 1.44Å | 1.44Å | |
| C1 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.25Å | |
| C12 | C31 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.26Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C27 | C24 | 111.2° | 109.5° |
| O11 | C27 | C16 | 109.7° | 109.5° |
| O11 | C27 | H27 | 109.6° | 109.6° |
| C27 | O11 | HO11 | 109.5° | 114.0° |
| O9 | C24 | C27 | 109.7° | 109.6° |
| O9 | C24 | C21 | 111.1° | 109.5° |
| O9 | C24 | H24 | 108.2° | 109.5° |
| C24 | O9 | HO9 | 109.5° | 114.0° |
| C24 | C27 | C16 | 109.4° | 109.1° |
| C27 | C24 | C21 | 113.5° | 109.1° |
| C27 | C24 | H24 | 107.1° | 109.5° |
| C24 | C27 | H27 | 108.4° | 109.6° |
| C27 | C16 | O13 | 111.8° | 109.6° |
| C27 | C16 | C29 | 108.4° | 109.1° |
| C16 | C27 | H27 | 108.5° | 109.5° |
| C27 | C16 | H16 | 108.1° | 109.5° |
| C24 | C21 | O6 | 107.6° | 109.5° |
| C24 | C21 | O15 | 110.7° | 109.4° |
| C24 | C21 | H21 | 107.9° | 109.5° |
| C21 | C24 | H24 | 107.0° | 109.5° |
| O13 | C16 | C29 | 111.1° | 109.5° |
| O13 | C16 | H16 | 109.2° | 109.6° |
| C16 | O13 | HO13 | 109.5° | 114.0° |
| C16 | C29 | O15 | 109.7° | 109.4° |
| C16 | C29 | C32 | 112.7° | 109.5° |
| C29 | C16 | H16 | 108.2° | 109.5° |
| C16 | C29 | H29 | 108.5° | 109.4° |
| O6 | C21 | O15 | 112.2° | 109.5° |
| C21 | O6 | C13 | 117.8° | 114.0° |
| O6 | C21 | H21 | 109.1° | 109.4° |
| C21 | O15 | C29 | 111.3° | 114.1° |
| O15 | C21 | H21 | 109.3° | 109.5° |
| O6 | C13 | C3 | 107.2° | 109.8° |
| O6 | C13 | C18 | 114.5° | 109.8° |
| O6 | C13 | O2 | 106.7° | 110.0° |
| O5 | C3 | C13 | 111.0° | 111.0° |
| O5 | C3 | C2 | 112.2° | 110.8° |
| O5 | C3 | H3 | 111.0° | 110.7° |
| C3 | O5 | HO5 | 109.5° | 114.0° |
| O15 | C29 | C32 | 107.8° | 109.5° |
| O15 | C29 | H29 | 109.6° | 109.6° |
| C29 | C32 | O17 | 107.6° | 109.5° |
| C32 | C29 | H29 | 108.6° | 109.5° |
| C29 | C32 | H321 | 110.0° | 109.5° |
| C29 | C32 | H322 | 109.9° | 109.5° |
| C32 | O17 | C4 | 119.2° | 117.0° |
| O17 | C32 | H321 | 109.9° | 109.5° |
| O17 | C32 | H322 | 109.9° | 109.5° |
| O17 | C4 | C7 | 119.4° | 120.0° |
| O17 | C4 | O7 | 117.9° | 120.0° |
| O3 | C18 | C13 | 109.9° | 109.5° |
| O3 | C18 | H181 | 109.4° | 109.5° |
| O3 | C18 | H182 | 109.4° | 109.5° |
| C18 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C13 | C18 | 113.1° | 109.9° |
| C3 | C13 | O2 | 106.0° | 107.6° |
| C13 | C3 | C2 | 103.0° | 102.2° |
| C13 | C3 | H3 | 109.6° | 110.9° |
| C18 | C13 | O2 | 108.8° | 109.8° |
| C13 | C18 | H181 | 109.4° | 109.5° |
| C13 | C18 | H182 | 109.4° | 109.4° |
| C13 | O2 | C1 | 109.2° | 109.9° |
| C8 | C7 | C4 | 108.9° | 109.4° |
| C7 | C8 | C9 | 110.1° | 109.5° |
| C8 | C7 | H71 | 109.6° | 109.5° |
| C8 | C7 | H72 | 109.6° | 109.5° |
| C7 | C8 | H81 | 109.3° | 109.5° |
| C7 | C8 | H82 | 109.3° | 109.5° |
| C7 | C4 | O7 | 122.7° | 120.0° |
| C4 | C7 | H71 | 109.6° | 109.5° |
| C4 | C7 | H72 | 109.6° | 109.4° |
| C3 | C2 | O4 | 107.8° | 111.1° |
| C3 | C2 | C1 | 99.8° | 100.9° |
| C3 | C2 | H2 | 111.5° | 111.1° |
| C2 | C3 | H3 | 109.6° | 110.8° |
| C8 | C9 | C10 | 110.4° | 109.5° |
| C9 | C8 | H81 | 109.3° | 109.5° |
| C9 | C8 | H82 | 109.3° | 109.4° |
| C8 | C9 | H91 | 109.2° | 109.5° |
| C8 | C9 | H92 | 109.2° | 109.4° |
| O4 | C2 | C1 | 112.4° | 111.2° |
| O4 | C2 | H2 | 112.9° | 111.0° |
| C2 | O4 | HO4 | 109.5° | 114.0° |
| C2 | C1 | O2 | 104.9° | 105.3° |
| C2 | C1 | C17 | 118.3° | 110.3° |
| C2 | C1 | H1 | 108.0° | 110.3° |
| C1 | C2 | H2 | 111.7° | 111.1° |
| O1 | C17 | C1 | 110.8° | 109.5° |
| O1 | C17 | H171 | 109.2° | 109.5° |
| O1 | C17 | H172 | 109.1° | 109.4° |
| C17 | O1 | HO1 | 109.5° | 114.0° |
| O2 | C1 | C17 | 108.5° | 110.3° |
| O2 | C1 | H1 | 109.0° | 110.3° |
| C17 | C1 | H1 | 107.9° | 110.2° |
| C1 | C17 | H171 | 109.1° | 109.5° |
| C1 | C17 | H172 | 109.1° | 109.4° |
| C11 | C12 | C31 | 120.8° | 109.5° |
| C12 | C11 | C10 | 175.1° | 109.5° |
| C11 | C12 | H5 | 106.5° | 109.5° |
| C12 | C11 | H11 | 91.4° | 109.5° |
| C12 | C11 | H4 | 91.4° | 109.4° |
| C11 | C12 | H12 | 106.6° | 109.4° |
| C31 | C12 | H5 | 106.6° | 109.5° |
| C12 | C31 | H311 | 109.5° | 109.5° |
| C12 | C31 | H312 | 109.5° | 109.5° |
| C12 | C31 | H313 | 109.5° | 109.5° |
| C31 | C12 | H12 | 106.5° | 109.5° |
| C9 | C10 | C11 | 119.3° | 109.5° |
| C10 | C9 | H91 | 109.3° | 109.5° |
| C10 | C9 | H92 | 109.3° | 109.5° |
| C9 | C10 | H102 | 107.0° | 109.5° |
| C9 | C10 | H101 | 106.9° | 109.5° |
| C11 | C10 | H102 | 106.9° | 109.5° |
| C11 | C10 | H101 | 107.0° | 109.5° |
| C10 | C11 | H11 | 91.4° | 109.5° |
| C10 | C11 | H4 | 91.4° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H5 | C12 | H12 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.4° | 109.4° |
| H311 | C31 | H313 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H11 | C11 | H4 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C27 | C24 | O9 | 65.4° | 63.2° |
| O11 | C27 | C24 | C16 | 121.3° | 119.8° |
| O11 | C27 | C24 | H27 | 120.6° | 120.3° |
| O11 | C27 | C16 | H27 | 119.7° | 120.2° |
| O11 | C27 | C24 | C21 | 169.7° | 176.8° |
| O11 | C27 | C16 | O13 | 61.1° | 63.3° |
| O11 | C27 | C16 | C29 | 176.1° | 176.9° |
| O11 | C27 | C24 | H24 | 51.8° | 56.9° |
| O11 | C27 | C16 | H16 | 59.1° | 57.0° |
| O9 | C24 | C27 | C21 | 124.9° | 120.0° |
| O9 | C24 | C27 | H24 | 117.2° | 120.2° |
| O9 | C24 | C27 | C16 | 173.3° | 177.0° |
| O9 | C24 | C21 | H24 | 117.9° | 120.1° |
| O9 | C24 | C21 | O6 | 51.1° | 57.6° |
| O9 | C24 | C21 | O15 | 174.1° | 177.6° |
| O9 | C24 | C21 | H21 | 66.4° | 62.4° |
| O9 | C24 | C27 | H27 | 55.2° | 57.0° |
| C24 | C27 | C16 | H27 | 118.1° | 119.9° |
| C27 | C24 | C21 | H24 | 117.9° | 119.9° |
| C24 | C27 | C16 | O13 | 176.7° | 176.9° |
| C24 | C27 | C16 | C29 | 53.9° | 57.0° |
| C27 | C24 | C21 | O6 | 73.1° | 62.4° |
| C27 | C24 | C21 | O15 | 49.9° | 57.6° |
| C27 | C24 | C21 | H21 | 169.4° | 177.6° |
| C24 | C27 | C16 | H16 | 63.1° | 62.9° |
| C27 | C24 | O9 | HO9 | 180.0° | 179.7° |
| C24 | C27 | O11 | HO11 | 180.0° | 60.0° |
| C16 | C27 | C24 | C21 | 48.4° | 57.0° |
| C27 | C16 | O13 | C29 | 121.2° | 119.6° |
| C27 | C16 | O13 | H16 | 119.6° | 120.2° |
| C27 | C16 | C29 | H16 | 117.0° | 119.9° |
| C27 | C16 | C29 | O15 | 63.6° | 57.6° |
| C27 | C16 | C29 | C32 | 176.3° | 177.6° |
| C16 | C27 | C24 | H24 | 69.5° | 62.9° |
| C27 | C16 | C29 | H29 | 56.0° | 62.4° |
| C16 | C27 | O11 | HO11 | 58.9° | 179.6° |
| C27 | C16 | O13 | HO13 | 180.0° | 60.1° |
| C24 | C21 | O6 | O15 | 122.0° | 120.0° |
| C24 | C21 | O6 | H21 | 116.8° | 120.0° |
| C24 | C21 | O15 | H21 | 118.6° | 120.0° |
| C24 | C21 | O6 | C13 | 177.9° | 149.5° |
| C24 | C21 | O15 | C29 | 58.2° | 61.2° |
| C21 | C24 | C27 | H27 | 69.7° | 62.9° |
| C21 | C24 | O9 | HO9 | 53.6° | 60.0° |
| O13 | C16 | C29 | H16 | 119.8° | 120.2° |
| O13 | C16 | C29 | O15 | 173.2° | 177.5° |
| O13 | C16 | C29 | C32 | 53.1° | 62.5° |
| O13 | C16 | C27 | H27 | 58.7° | 56.9° |
| O13 | C16 | C29 | H29 | 67.2° | 57.5° |
| C16 | C29 | O15 | C21 | 66.6° | 61.2° |
| C16 | C29 | O15 | C32 | 123.0° | 119.9° |
| C16 | C29 | O15 | H29 | 119.0° | 120.0° |
| C16 | C29 | C32 | H29 | 120.2° | 120.0° |
| C16 | C29 | C32 | O17 | 65.0° | 175.9° |
| C29 | C16 | C27 | H27 | 64.2° | 62.9° |
| C29 | C16 | O13 | HO13 | 58.8° | 179.7° |
| C16 | C29 | C32 | H321 | 175.2° | 55.9° |
| C16 | C29 | C32 | H322 | 54.6° | 64.1° |
| O6 | C21 | O15 | H21 | 121.1° | 120.0° |
| O6 | C21 | O15 | C29 | 62.0° | 58.8° |
| C21 | O6 | C13 | C3 | 159.9° | 171.3° |
| C21 | O6 | C13 | C18 | 33.5° | 67.8° |
| C21 | O6 | C13 | O2 | 87.0° | 53.0° |
| O6 | C21 | C24 | H24 | 169.0° | 177.7° |
| O15 | C21 | O6 | C13 | 60.1° | 90.5° |
| C21 | O15 | C29 | C32 | 170.3° | 178.8° |
| O15 | C21 | C24 | H24 | 68.1° | 62.3° |
| C21 | O15 | C29 | H29 | 52.4° | 58.8° |
| O6 | C13 | C3 | O5 | 30.2° | 20.0° |
| O6 | C13 | C18 | O3 | 67.6° | 66.3° |
| O6 | C13 | C3 | C18 | 127.2° | 120.9° |
| O6 | C13 | C3 | O2 | 113.6° | 119.7° |
| O6 | C13 | C18 | O2 | 119.3° | 121.0° |
| O6 | C13 | C3 | C2 | 90.1° | 98.3° |
| O6 | C13 | O2 | C1 | 115.5° | 121.1° |
| O6 | C13 | C3 | H3 | 153.3° | 143.6° |
| O6 | C13 | C18 | H181 | 52.4° | 53.8° |
| O6 | C13 | C18 | H182 | 172.3° | 173.7° |
| C13 | O6 | C21 | H21 | 61.1° | 29.5° |
| O5 | C3 | C13 | C2 | 120.3° | 118.3° |
| O5 | C3 | C13 | H3 | 123.1° | 123.5° |
| O5 | C3 | C13 | C18 | 97.0° | 100.9° |
| O5 | C3 | C13 | O2 | 143.8° | 139.7° |
| O5 | C3 | C2 | H3 | 123.8° | 123.4° |
| O5 | C3 | C2 | O4 | 85.2° | 89.5° |
| O5 | C3 | C2 | C1 | 157.3° | 152.5° |
| O5 | C3 | C2 | H2 | 39.2° | 34.6° |
| O15 | C29 | C32 | H29 | 118.6° | 120.1° |
| O15 | C29 | C32 | O17 | 56.1° | 64.2° |
| C29 | O15 | C21 | H21 | 176.9° | 178.8° |
| O15 | C29 | C16 | H16 | 53.4° | 62.3° |
| O15 | C29 | C32 | H321 | 63.6° | 175.8° |
| O15 | C29 | C32 | H322 | 175.8° | 55.8° |
| C29 | C32 | O17 | H321 | 119.7° | 120.0° |
| C29 | C32 | O17 | H322 | 119.7° | 120.0° |
| C29 | C32 | O17 | C4 | 168.2° | 175.2° |
| C32 | C29 | C16 | H16 | 66.7° | 57.7° |
| C29 | C32 | H321 | H322 | 120.8° | 120.0° |
| C32 | O17 | C4 | C7 | 180.0° | 175.2° |
| C32 | O17 | C4 | O7 | 0.5° | 5.1° |
| O17 | C32 | C29 | H29 | 174.7° | 56.0° |
| O17 | C32 | H321 | H322 | 120.9° | 120.0° |
| O17 | C4 | C7 | C8 | 51.9° | 175.1° |
| O17 | C4 | C7 | O7 | 179.4° | 179.7° |
| O17 | C4 | C7 | H71 | 68.0° | 64.9° |
| O17 | C4 | C7 | H72 | 171.8° | 55.1° |
| C4 | O17 | C32 | H321 | 72.1° | 64.7° |
| C4 | O17 | C32 | H322 | 48.5° | 55.2° |
| O3 | C18 | C13 | C3 | 55.6° | 172.9° |
| O3 | C18 | C13 | H181 | 120.1° | 120.1° |
| O3 | C18 | C13 | H182 | 120.1° | 120.0° |
| O3 | C18 | C13 | O2 | 173.1° | 54.7° |
| O3 | C18 | H181 | H182 | 119.8° | 120.0° |
| C3 | C13 | C18 | O2 | 117.5° | 118.1° |
| C13 | C3 | C2 | H3 | 116.7° | 118.2° |
| C13 | C3 | C2 | O4 | 155.3° | 152.0° |
| C13 | C3 | C2 | C1 | 37.8° | 34.1° |
| C3 | C13 | O2 | C1 | 1.5° | 1.6° |
| C13 | C3 | C2 | H2 | 80.3° | 83.8° |
| C3 | C13 | C18 | H181 | 175.6° | 67.1° |
| C3 | C13 | C18 | H182 | 64.5° | 52.8° |
| C13 | C3 | O5 | HO5 | 180.0° | 174.4° |
| C18 | C13 | C3 | C2 | 142.8° | 140.9° |
| C18 | C13 | O2 | C1 | 120.4° | 117.9° |
| C18 | C13 | C3 | H3 | 26.1° | 22.7° |
| C13 | C18 | H181 | H182 | 119.8° | 119.9° |
| C13 | C18 | O3 | HO3 | 180.0° | 180.0° |
| O2 | C13 | C3 | C2 | 23.6° | 21.4° |
| C13 | O2 | C1 | C2 | 26.5° | 24.3° |
| C13 | O2 | C1 | C17 | 153.9° | 143.3° |
| C13 | O2 | C1 | H1 | 88.9° | 94.7° |
| O2 | C13 | C3 | H3 | 93.1° | 96.8° |
| O2 | C13 | C18 | H181 | 66.8° | 174.8° |
| O2 | C13 | C18 | H182 | 53.0° | 65.3° |
| C8 | C7 | C4 | H71 | 119.9° | 120.0° |
| C8 | C7 | C4 | H72 | 119.9° | 120.0° |
| C7 | C8 | C9 | H81 | 120.1° | 120.0° |
| C7 | C8 | C9 | H82 | 120.1° | 120.0° |
| C8 | C7 | C4 | O7 | 127.5° | 5.2° |
| C7 | C8 | C9 | C10 | 168.6° | 180.0° |
| C8 | C7 | H71 | H72 | 120.3° | 120.1° |
| C7 | C8 | H81 | H82 | 119.7° | 120.1° |
| C7 | C8 | C9 | H91 | 48.5° | 59.9° |
| C7 | C8 | C9 | H92 | 71.2° | 60.0° |
| C4 | C7 | C8 | C9 | 66.6° | 180.0° |
| C4 | C7 | H71 | H72 | 120.3° | 120.0° |
| C4 | C7 | C8 | H81 | 173.4° | 60.0° |
| C4 | C7 | C8 | H82 | 53.5° | 60.1° |
| C3 | C2 | O4 | C1 | 109.0° | 111.6° |
| C3 | C2 | O4 | H2 | 123.6° | 124.2° |
| C3 | C2 | C1 | H2 | 117.9° | 117.9° |
| C3 | C2 | C1 | O2 | 39.6° | 36.4° |
| C3 | C2 | C1 | C17 | 160.8° | 155.4° |
| C3 | C2 | C1 | H1 | 76.5° | 82.6° |
| C3 | C2 | O4 | HO4 | 180.0° | 173.1° |
| C2 | C3 | O5 | HO5 | 65.3° | 61.4° |
| C8 | C9 | C10 | H91 | 120.1° | 120.0° |
| C8 | C9 | C10 | H92 | 120.1° | 120.0° |
| C8 | C9 | C10 | C11 | 84.2° | 180.0° |
| C9 | C8 | C7 | H71 | 173.5° | 60.0° |
| C9 | C8 | C7 | H72 | 53.3° | 60.0° |
| C9 | C8 | H81 | H82 | 119.7° | 120.0° |
| C8 | C9 | H91 | H92 | 119.5° | 119.9° |
| C8 | C9 | C10 | H102 | 154.5° | 60.0° |
| C8 | C9 | C10 | H101 | 37.2° | 60.0° |
| O7 | C4 | C7 | H71 | 112.6° | 114.8° |
| O7 | C4 | C7 | H72 | 7.6° | 125.2° |
| O4 | C2 | C1 | H2 | 128.0° | 124.2° |
| O4 | C2 | C1 | O2 | 153.7° | 154.3° |
| O4 | C2 | C1 | C17 | 85.2° | 86.7° |
| O4 | C2 | C1 | H1 | 37.5° | 35.3° |
| O4 | C2 | C3 | H3 | 38.6° | 33.9° |
| C2 | C1 | C17 | O1 | 18.1° | 175.6° |
| C2 | C1 | O2 | C17 | 127.4° | 119.0° |
| C2 | C1 | O2 | H1 | 115.4° | 119.0° |
| C2 | C1 | C17 | H1 | 122.8° | 122.0° |
| C1 | C2 | C3 | H3 | 78.9° | 84.1° |
| C1 | C2 | O4 | HO4 | 71.0° | 61.5° |
| C2 | C1 | C17 | H171 | 102.1° | 55.6° |
| C2 | C1 | C17 | H172 | 138.3° | 64.4° |
| O1 | C17 | C1 | O2 | 101.2° | 68.5° |
| O1 | C17 | C1 | H171 | 120.2° | 120.0° |
| O1 | C17 | C1 | H172 | 120.2° | 120.0° |
| O1 | C17 | C1 | H1 | 140.9° | 53.6° |
| O1 | C17 | H171 | H172 | 119.4° | 120.0° |
| O2 | C1 | C17 | H1 | 117.9° | 122.1° |
| O2 | C1 | C2 | H2 | 78.3° | 81.6° |
| O2 | C1 | C17 | H171 | 138.6° | 171.5° |
| O2 | C1 | C17 | H172 | 19.0° | 51.5° |
| C17 | C1 | C2 | H2 | 42.8° | 37.5° |
| C1 | C17 | H171 | H172 | 119.4° | 120.0° |
| C1 | C17 | O1 | HO1 | 180.0° | 175.1° |
| C11 | C12 | C31 | H5 | 121.6° | 120.1° |
| C11 | C12 | C31 | H12 | 121.6° | 119.9° |
| C12 | C11 | C10 | C9 | 7.5° | 180.0° |
| C12 | C11 | C10 | H11 | 125.3° | 120.1° |
| C12 | C11 | C10 | H4 | 125.3° | 119.9° |
| C12 | C11 | C10 | H102 | 128.9° | 60.0° |
| C11 | C12 | H5 | H12 | 114.9° | 119.9° |
| C11 | C12 | C31 | H311 | 180.0° | 60.1° |
| C11 | C12 | C31 | H312 | 60.0° | 180.0° |
| C11 | C12 | C31 | H313 | 60.0° | 59.9° |
| C12 | C11 | C10 | H101 | 113.9° | 60.0° |
| C12 | C11 | H11 | H4 | 92.0° | 119.9° |
| C31 | C12 | C11 | C10 | 176.1° | 180.0° |
| C31 | C12 | H5 | H12 | 114.9° | 120.0° |
| C12 | C31 | H311 | H312 | 120.0° | 120.0° |
| C12 | C31 | H311 | H313 | 120.0° | 120.1° |
| C12 | C31 | H312 | H313 | 120.0° | 120.1° |
| C31 | C12 | C11 | H11 | 50.9° | 59.9° |
| C31 | C12 | C11 | H4 | 58.6° | 60.1° |
| C9 | C10 | C11 | H102 | 121.4° | 120.0° |
| C9 | C10 | C11 | H101 | 121.4° | 120.0° |
| C10 | C9 | C8 | H81 | 71.3° | 60.0° |
| C10 | C9 | C8 | H82 | 48.5° | 60.0° |
| C10 | C9 | H91 | H92 | 119.6° | 120.0° |
| C9 | C10 | H102 | H101 | 115.5° | 120.0° |
| C9 | C10 | C11 | H11 | 132.7° | 60.0° |
| C9 | C10 | C11 | H4 | 117.8° | 60.0° |
| C11 | C10 | C9 | H91 | 36.0° | 60.0° |
| C11 | C10 | C9 | H92 | 155.7° | 60.0° |
| C11 | C10 | H102 | H101 | 115.5° | 120.0° |
| C10 | C11 | C12 | H5 | 54.5° | 60.0° |
| C10 | C11 | H11 | H4 | 92.0° | 120.0° |
| C10 | C11 | C12 | H12 | 62.3° | 60.0° |
| H71 | C7 | C8 | H81 | 53.4° | 180.0° |
| H71 | C7 | C8 | H82 | 66.4° | 60.0° |
| H72 | C7 | C8 | H81 | 66.7° | 59.9° |
| H72 | C7 | C8 | H82 | 173.4° | 180.0° |
| H81 | C8 | C9 | H91 | 168.6° | 179.9° |
| H81 | C8 | C9 | H92 | 48.8° | 60.0° |
| H82 | C8 | C9 | H91 | 71.6° | 60.1° |
| H82 | C8 | C9 | H92 | 168.7° | 180.0° |
| H91 | C9 | C10 | H102 | 85.4° | 180.0° |
| H91 | C9 | C10 | H101 | 157.4° | 60.0° |
| H92 | C9 | C10 | H102 | 34.3° | 60.0° |
| H92 | C9 | C10 | H101 | 82.9° | 180.0° |
| H102 | C10 | C11 | H11 | 105.9° | 179.9° |
| H102 | C10 | C11 | H4 | 3.6° | 59.9° |
| H5 | C12 | C31 | H311 | 58.4° | 60.0° |
| H5 | C12 | C31 | H312 | 178.4° | 60.0° |
| H5 | C12 | C31 | H313 | 61.6° | 180.0° |
| H5 | C12 | C11 | H11 | 70.8° | 180.0° |
| H5 | C12 | C11 | H4 | 179.8° | 60.0° |
| H1 | C1 | C2 | H2 | 165.6° | 159.5° |
| H1 | C1 | C17 | H171 | 20.7° | 66.4° |
| H1 | C1 | C17 | H172 | 98.9° | 173.6° |
| H2 | C2 | C3 | H3 | 163.0° | 158.0° |
| H2 | C2 | O4 | HO4 | 56.4° | 62.7° |
| H3 | C3 | O5 | HO5 | 57.7° | 62.0° |
| H171 | C17 | O1 | HO1 | 59.8° | 64.9° |
| H172 | C17 | O1 | HO1 | 59.8° | 55.1° |
| H181 | C18 | O3 | HO3 | 60.0° | 60.0° |
| H182 | C18 | O3 | HO3 | 59.9° | 60.0° |
| H21 | C21 | C24 | H24 | 51.4° | 57.7° |
| H24 | C24 | C27 | H27 | 172.4° | 177.2° |
| H24 | C24 | O9 | HO9 | 63.5° | 60.1° |
| H27 | C27 | C16 | H16 | 178.8° | 177.2° |
| H27 | C27 | O11 | HO11 | 60.1° | 60.2° |
| H16 | C16 | C29 | H29 | 173.0° | 177.7° |
| H16 | C16 | O13 | HO13 | 60.4° | 60.1° |
| H29 | C29 | C32 | H321 | 55.0° | 64.1° |
| H29 | C29 | C32 | H322 | 65.6° | 176.0° |
| H311 | C31 | H312 | H313 | 120.0° | 119.9° |
| H311 | C31 | C12 | H12 | 58.4° | 180.0° |
| H312 | C31 | C12 | H12 | 61.6° | 60.1° |
| H313 | C31 | C12 | H12 | 178.4° | 60.0° |
| H101 | C10 | C11 | H11 | 11.3° | 60.1° |
| H101 | C10 | C11 | H4 | 120.8° | 179.9° |
| H11 | C11 | C12 | H12 | 172.4° | 60.1° |
| H4 | C11 | C12 | H12 | 63.0° | 180.0° |
