DYX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | S18 | doub | 1.42Å | 1.45Å | |
| O20 | S18 | doub | 1.42Å | 1.47Å | |
| S18 | C19 | sing | 1.83Å | 1.87Å | |
| S18 | C17 | sing | 1.83Å | 1.85Å | |
| C19 | C05 | sing | 1.52Å | 1.52Å | |
| C17 | C06 | sing | 1.52Å | 1.52Å | |
| C05 | C06 | sing | 1.39Å | 1.34Å | Aromatic |
| C05 | C04 | doub | 1.37Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.55Å | 1.57Å | |
| C26 | C22 | sing | 1.54Å | 1.61Å | |
| C06 | N07 | doub | 1.32Å | 1.38Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.48Å | |
| C04 | N08 | sing | 1.36Å | 1.29Å | Aromatic |
| N07 | N08 | sing | 1.40Å | 1.33Å | Aromatic |
| C25 | C24 | sing | 1.55Å | 1.37Å | |
| N03 | C01 | sing | 1.35Å | 1.48Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.40Å | 1.47Å | |
| C01 | O02 | doub | 1.21Å | 1.18Å | |
| C01 | C22 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.54Å | 1.33Å | |
| C22 | C27 | sing | 1.51Å | 1.59Å | |
| C24 | C23 | sing | 1.54Å | 1.67Å | |
| C32 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | O15 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| O15 | C16 | sing | 1.43Å | 1.41Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | CL1 | sing | 1.74Å | 1.78Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| N03 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | S18 | O20 | 103.8° | 120.2° |
| O21 | S18 | C19 | 96.9° | 109.9° |
| O21 | S18 | C17 | 132.1° | 109.8° |
| O20 | S18 | C19 | 141.7° | 109.8° |
| O20 | S18 | C17 | 95.4° | 109.8° |
| C19 | S18 | C17 | 94.1° | 94.3° |
| S18 | C19 | C05 | 102.4° | 103.8° |
| S18 | C19 | H15 | 111.2° | 110.6° |
| S18 | C19 | H16 | 111.2° | 110.7° |
| S18 | C17 | C06 | 101.6° | 103.9° |
| S18 | C17 | H3 | 111.4° | 110.6° |
| S18 | C17 | H4 | 111.4° | 110.7° |
| C19 | C05 | C06 | 115.7° | 115.3° |
| C19 | C05 | C04 | 137.4° | 136.8° |
| C05 | C19 | H15 | 111.2° | 110.5° |
| C05 | C19 | H16 | 111.2° | 110.5° |
| C17 | C06 | C05 | 118.2° | 115.3° |
| C17 | C06 | N07 | 134.1° | 136.4° |
| C06 | C17 | H3 | 111.4° | 110.6° |
| C06 | C17 | H4 | 111.4° | 110.5° |
| C06 | C05 | C04 | 106.8° | 107.8° |
| C05 | C06 | N07 | 107.7° | 108.4° |
| C05 | C04 | N03 | 130.4° | 126.2° |
| C05 | C04 | N08 | 106.7° | 107.5° |
| C25 | C26 | C22 | 101.7° | 104.2° |
| C26 | C25 | C24 | 107.0° | 102.8° |
| C25 | C26 | H7 | 111.4° | 110.4° |
| C25 | C26 | H8 | 111.4° | 110.5° |
| C26 | C25 | H19 | 110.1° | 110.8° |
| C26 | C25 | H20 | 110.1° | 110.8° |
| C26 | C22 | C01 | 114.3° | 110.1° |
| C26 | C22 | C23 | 105.7° | 106.6° |
| C26 | C22 | C27 | 113.5° | 110.0° |
| C22 | C26 | H7 | 111.4° | 110.5° |
| C22 | C26 | H8 | 111.4° | 110.5° |
| C06 | N07 | N08 | 107.1° | 108.5° |
| N03 | C04 | N08 | 122.6° | 126.2° |
| C04 | N03 | C01 | 122.8° | 120.0° |
| C04 | N03 | H24 | 118.6° | 120.0° |
| C04 | N08 | N07 | 111.7° | 107.8° |
| C04 | N08 | C09 | 126.3° | 126.1° |
| N07 | N08 | C09 | 122.0° | 126.1° |
| C25 | C24 | C23 | 108.1° | 104.2° |
| C25 | C24 | H5 | 109.8° | 110.5° |
| C25 | C24 | H6 | 109.8° | 110.6° |
| C24 | C25 | H19 | 110.1° | 110.7° |
| C24 | C25 | H20 | 110.1° | 110.7° |
| N03 | C01 | O02 | 123.0° | 120.0° |
| N03 | C01 | C22 | 118.6° | 120.0° |
| C01 | N03 | H24 | 118.6° | 120.0° |
| C11 | C10 | C09 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C11 | C10 | H1 | 120.1° | 120.0° |
| C10 | C11 | H10 | 120.2° | 120.0° |
| C10 | C09 | N08 | 119.3° | 120.0° |
| C10 | C09 | C14 | 120.6° | 120.0° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| N08 | C09 | C14 | 120.0° | 120.0° |
| O02 | C01 | C22 | 118.4° | 120.0° |
| C01 | C22 | C23 | 111.8° | 110.0° |
| C01 | C22 | C27 | 103.9° | 110.0° |
| C11 | C12 | O15 | 118.8° | 120.0° |
| C11 | C12 | C13 | 120.9° | 120.1° |
| C12 | C11 | H10 | 120.2° | 120.0° |
| C09 | C14 | C13 | 119.5° | 120.0° |
| C09 | C14 | H11 | 120.2° | 120.0° |
| C23 | C22 | C27 | 107.5° | 110.0° |
| C22 | C23 | C24 | 104.4° | 106.6° |
| C22 | C23 | H17 | 110.7° | 110.1° |
| C22 | C23 | H18 | 110.7° | 110.1° |
| C22 | C27 | C32 | 121.3° | 120.0° |
| C22 | C27 | C28 | 118.3° | 120.0° |
| C23 | C24 | H5 | 109.8° | 110.5° |
| C23 | C24 | H6 | 109.8° | 110.5° |
| C24 | C23 | H17 | 110.7° | 110.0° |
| C24 | C23 | H18 | 110.7° | 110.0° |
| C27 | C32 | C31 | 119.2° | 120.0° |
| C32 | C27 | C28 | 120.4° | 120.0° |
| C27 | C32 | H23 | 120.4° | 120.0° |
| C32 | C31 | C30 | 120.2° | 120.0° |
| C32 | C31 | H22 | 119.9° | 120.0° |
| C31 | C32 | H23 | 120.4° | 120.0° |
| O15 | C12 | C13 | 120.2° | 120.0° |
| C12 | O15 | C16 | 113.0° | 117.0° |
| C12 | C13 | C14 | 119.4° | 120.0° |
| C12 | C13 | H2 | 120.3° | 120.0° |
| C14 | C13 | H2 | 120.3° | 120.0° |
| C13 | C14 | H11 | 120.3° | 120.0° |
| C27 | C28 | C29 | 120.6° | 120.0° |
| C27 | C28 | H9 | 119.7° | 120.0° |
| O15 | C16 | H12 | 109.5° | 109.5° |
| O15 | C16 | H13 | 109.5° | 109.5° |
| O15 | C16 | H14 | 109.4° | 109.5° |
| C31 | C30 | C29 | 121.0° | 120.0° |
| C31 | C30 | CL1 | 118.5° | 120.0° |
| C30 | C31 | H22 | 119.9° | 120.0° |
| C28 | C29 | C30 | 118.5° | 120.0° |
| C29 | C28 | H9 | 119.7° | 120.0° |
| C28 | C29 | H21 | 120.8° | 120.0° |
| C29 | C30 | CL1 | 120.4° | 120.0° |
| C30 | C29 | H21 | 120.8° | 120.0° |
| H3 | C17 | H4 | 109.5° | 110.5° |
| H5 | C24 | H6 | 109.5° | 110.4° |
| H7 | C26 | H8 | 109.5° | 110.6° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H14 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 110.5° |
| H17 | C23 | H18 | 109.4° | 110.1° |
| H19 | C25 | H20 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | S18 | O20 | C19 | 120.6° | 128.8° |
| O21 | S18 | O20 | C17 | 135.8° | 128.8° |
| O21 | S18 | C19 | C17 | 133.3° | 112.9° |
| O21 | S18 | C19 | C05 | 108.7° | 137.0° |
| O21 | S18 | C17 | C06 | 78.3° | 137.0° |
| O21 | S18 | C17 | H3 | 163.0° | 18.4° |
| O21 | S18 | C17 | H4 | 40.5° | 104.3° |
| O21 | S18 | C19 | H15 | 10.2° | 104.5° |
| O21 | S18 | C19 | H16 | 132.5° | 18.4° |
| O20 | S18 | C19 | C17 | 104.0° | 112.8° |
| O20 | S18 | C19 | C05 | 128.6° | 88.7° |
| O20 | S18 | C17 | C06 | 167.6° | 88.7° |
| O20 | S18 | C17 | H3 | 48.9° | 152.7° |
| O20 | S18 | C17 | H4 | 73.6° | 30.0° |
| O20 | S18 | C19 | H15 | 112.5° | 29.8° |
| O20 | S18 | C19 | H16 | 9.8° | 152.7° |
| S18 | C19 | C05 | H15 | 118.9° | 118.6° |
| S18 | C19 | C05 | H16 | 118.8° | 118.7° |
| C19 | S18 | C17 | C06 | 24.8° | 24.1° |
| S18 | C19 | C05 | C06 | 17.6° | 17.8° |
| S18 | C19 | C05 | C04 | 159.1° | 162.1° |
| C19 | S18 | C17 | H3 | 93.9° | 94.5° |
| C19 | S18 | C17 | H4 | 143.5° | 142.8° |
| S18 | C19 | H15 | H16 | 123.3° | 123.0° |
| C17 | S18 | C19 | C05 | 24.6° | 24.1° |
| S18 | C17 | C06 | H3 | 118.7° | 118.6° |
| S18 | C17 | C06 | H4 | 118.7° | 118.7° |
| S18 | C17 | C06 | C05 | 19.6° | 17.9° |
| S18 | C17 | C06 | N07 | 159.6° | 162.1° |
| S18 | C17 | H3 | H4 | 123.7° | 122.9° |
| C17 | S18 | C19 | H15 | 143.5° | 142.7° |
| C17 | S18 | C19 | H16 | 94.2° | 94.5° |
| C19 | C05 | C06 | C17 | 1.3° | 0.1° |
| C19 | C05 | C06 | C04 | 177.7° | 180.0° |
| C19 | C05 | C06 | N07 | 178.1° | 180.0° |
| C19 | C05 | C04 | N03 | 6.8° | 0.0° |
| C19 | C05 | C04 | N08 | 178.8° | 180.0° |
| C05 | C19 | H15 | H16 | 123.3° | 122.6° |
| C17 | C06 | C05 | N07 | 179.4° | 180.0° |
| C17 | C06 | C05 | C04 | 179.0° | 180.0° |
| C17 | C06 | N07 | N08 | 179.5° | 180.0° |
| C06 | C17 | H3 | H4 | 123.7° | 122.7° |
| C06 | C05 | C04 | N03 | 176.2° | 179.9° |
| C06 | C05 | C04 | N08 | 1.9° | 0.0° |
| C05 | C06 | N07 | N08 | 1.1° | 0.0° |
| C05 | C06 | C17 | H3 | 99.1° | 100.7° |
| C05 | C06 | C17 | H4 | 138.4° | 136.7° |
| C06 | C05 | C19 | H15 | 136.5° | 136.5° |
| C06 | C05 | C19 | H16 | 101.2° | 100.9° |
| C04 | C05 | C06 | N07 | 0.4° | 0.0° |
| C05 | C04 | N03 | N08 | 173.6° | 179.9° |
| C05 | C04 | N08 | N07 | 2.7° | 0.0° |
| C05 | C04 | N03 | C01 | 33.8° | 26.9° |
| C05 | C04 | N08 | C09 | 178.9° | 180.0° |
| C04 | C05 | C19 | H15 | 40.3° | 43.5° |
| C04 | C05 | C19 | H16 | 82.0° | 79.2° |
| C05 | C04 | N03 | H24 | 146.1° | 153.1° |
| C25 | C26 | C22 | H7 | 118.7° | 118.6° |
| C25 | C26 | C22 | H8 | 118.7° | 118.6° |
| C26 | C25 | C24 | H19 | 119.6° | 118.3° |
| C26 | C25 | C24 | H20 | 119.6° | 118.3° |
| C25 | C26 | C22 | C01 | 159.7° | 95.7° |
| C25 | C26 | C22 | C23 | 36.3° | 23.6° |
| C25 | C26 | C22 | C27 | 81.3° | 142.9° |
| C26 | C25 | C24 | C23 | 3.2° | 37.9° |
| C26 | C25 | C24 | H5 | 123.0° | 156.6° |
| C26 | C25 | C24 | H6 | 116.6° | 80.8° |
| C25 | C26 | H7 | H8 | 123.6° | 122.6° |
| C26 | C25 | H19 | H20 | 121.2° | 123.4° |
| C22 | C26 | C25 | C24 | 21.7° | 37.9° |
| C26 | C22 | C01 | N03 | 67.9° | 66.0° |
| C26 | C22 | C01 | O02 | 113.6° | 113.9° |
| C26 | C22 | C01 | C23 | 120.1° | 117.3° |
| C26 | C22 | C01 | C27 | 124.2° | 121.4° |
| C26 | C22 | C23 | C27 | 121.5° | 119.3° |
| C26 | C22 | C23 | C24 | 33.8° | 0.0° |
| C26 | C22 | C27 | C32 | 11.2° | 50.9° |
| C26 | C22 | C27 | C28 | 170.2° | 129.1° |
| C22 | C26 | H7 | H8 | 123.6° | 122.7° |
| C26 | C22 | C23 | H17 | 85.4° | 119.3° |
| C26 | C22 | C23 | H18 | 153.0° | 119.2° |
| C22 | C26 | C25 | H19 | 97.9° | 80.4° |
| C22 | C26 | C25 | H20 | 141.3° | 156.2° |
| C06 | N07 | N08 | C04 | 2.5° | 0.0° |
| C06 | N07 | N08 | C09 | 179.0° | 180.0° |
| N07 | C06 | C17 | H3 | 81.7° | 79.3° |
| N07 | C06 | C17 | H4 | 40.9° | 43.4° |
| N03 | C04 | N08 | N07 | 177.6° | 179.9° |
| C04 | N03 | C01 | H24 | 180.0° | 180.0° |
| N03 | C04 | N08 | C09 | 4.0° | 0.0° |
| C04 | N03 | C01 | O02 | 4.1° | 4.1° |
| C04 | N03 | C01 | C22 | 174.3° | 175.8° |
| C04 | N08 | N07 | C09 | 178.5° | 180.0° |
| N08 | C04 | N03 | C01 | 139.8° | 153.2° |
| C04 | N08 | C09 | C10 | 127.4° | 144.4° |
| C04 | N08 | C09 | C14 | 54.4° | 35.6° |
| N08 | C04 | N03 | H24 | 40.3° | 26.9° |
| N07 | N08 | C09 | C10 | 50.9° | 35.6° |
| N07 | N08 | C09 | C14 | 127.3° | 144.4° |
| C25 | C24 | C23 | C22 | 20.9° | 23.6° |
| C25 | C24 | C23 | H5 | 119.8° | 118.7° |
| C25 | C24 | C23 | H6 | 119.8° | 118.8° |
| C25 | C24 | H5 | H6 | 120.7° | 122.7° |
| C24 | C25 | C26 | H7 | 97.0° | 80.8° |
| C24 | C25 | C26 | H8 | 140.4° | 156.6° |
| C25 | C24 | C23 | H17 | 98.3° | 95.7° |
| C25 | C24 | C23 | H18 | 140.1° | 142.9° |
| C24 | C25 | H19 | H20 | 121.1° | 123.3° |
| N03 | C01 | O02 | C22 | 178.4° | 180.0° |
| N03 | C01 | C22 | C23 | 172.0° | 176.7° |
| N03 | C01 | C22 | C27 | 56.4° | 55.4° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | N08 | 179.1° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C11 | C10 | C09 | C14 | 0.9° | 0.0° |
| C10 | C11 | C12 | O15 | 178.9° | 180.0° |
| C10 | C11 | C12 | C13 | 1.2° | 0.0° |
| C10 | C09 | N08 | C14 | 178.2° | 180.0° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C09 | C14 | C13 | 1.2° | 0.0° |
| C09 | C10 | C11 | H10 | 179.7° | 180.0° |
| C10 | C09 | C14 | H11 | 178.8° | 179.9° |
| N08 | C09 | C14 | C13 | 179.4° | 180.0° |
| N08 | C09 | C10 | H1 | 0.9° | 0.2° |
| N08 | C09 | C14 | H11 | 0.6° | 0.1° |
| O02 | C01 | C22 | C23 | 6.5° | 3.3° |
| O02 | C01 | C22 | C27 | 122.1° | 124.7° |
| O02 | C01 | N03 | H24 | 175.9° | 175.9° |
| C01 | C22 | C23 | C27 | 113.5° | 121.3° |
| C01 | C22 | C23 | C24 | 158.8° | 119.4° |
| C01 | C22 | C27 | C32 | 113.6° | 172.3° |
| C01 | C22 | C27 | C28 | 65.1° | 7.6° |
| C01 | C22 | C26 | H7 | 41.0° | 145.6° |
| C01 | C22 | C26 | H8 | 81.6° | 22.9° |
| C01 | C22 | C23 | H17 | 39.5° | 0.1° |
| C01 | C22 | C23 | H18 | 82.0° | 121.4° |
| C22 | C01 | N03 | H24 | 5.7° | 4.2° |
| C11 | C12 | O15 | C13 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.9° | 0.0° |
| C11 | C12 | O15 | C16 | 171.3° | 180.0° |
| C12 | C11 | C10 | H1 | 179.7° | 179.8° |
| C11 | C12 | C13 | H2 | 179.1° | 180.0° |
| C09 | C14 | C13 | C12 | 0.3° | 0.0° |
| C09 | C14 | C13 | H11 | 180.0° | 179.9° |
| C14 | C09 | C10 | H1 | 179.1° | 179.8° |
| C09 | C14 | C13 | H2 | 179.7° | 180.0° |
| C22 | C23 | C24 | H17 | 119.2° | 119.3° |
| C22 | C23 | C24 | H18 | 119.2° | 119.3° |
| C23 | C22 | C27 | C32 | 127.7° | 66.3° |
| C23 | C22 | C27 | C28 | 53.6° | 113.7° |
| C22 | C23 | C24 | H5 | 98.9° | 142.3° |
| C22 | C23 | C24 | H6 | 140.7° | 95.2° |
| C23 | C22 | C26 | H7 | 82.4° | 95.0° |
| C23 | C22 | C26 | H8 | 155.0° | 142.3° |
| C22 | C23 | H17 | H18 | 122.3° | 121.5° |
| C27 | C22 | C23 | C24 | 87.8° | 119.3° |
| C22 | C27 | C32 | C28 | 178.6° | 180.0° |
| C22 | C27 | C32 | C31 | 179.6° | 179.5° |
| C22 | C27 | C28 | C29 | 179.5° | 180.0° |
| C27 | C22 | C26 | H7 | 160.0° | 24.3° |
| C27 | C22 | C26 | H8 | 37.4° | 98.5° |
| C22 | C27 | C28 | H9 | 0.5° | 0.3° |
| C27 | C22 | C23 | H17 | 153.0° | 121.4° |
| C27 | C22 | C23 | H18 | 31.4° | 0.0° |
| C22 | C27 | C32 | H23 | 0.4° | 0.0° |
| C23 | C24 | H5 | H6 | 120.6° | 122.5° |
| C24 | C23 | H17 | H18 | 122.3° | 121.4° |
| C23 | C24 | C25 | H19 | 116.4° | 80.4° |
| C23 | C24 | C25 | H20 | 122.8° | 156.2° |
| C27 | C32 | C31 | H23 | 180.0° | 179.5° |
| C27 | C32 | C31 | C30 | 0.4° | 0.7° |
| C32 | C27 | C28 | C29 | 0.8° | 0.0° |
| C32 | C27 | C28 | H9 | 179.2° | 179.8° |
| C27 | C32 | C31 | H22 | 179.6° | 179.7° |
| C31 | C32 | C27 | C28 | 1.0° | 0.5° |
| C32 | C31 | C30 | H22 | 180.0° | 179.6° |
| C32 | C31 | C30 | C29 | 0.3° | 0.4° |
| C32 | C31 | C30 | CL1 | 179.8° | 179.5° |
| O15 | C12 | C13 | C14 | 179.2° | 180.0° |
| O15 | C12 | C13 | H2 | 0.8° | 0.0° |
| O15 | C12 | C11 | H10 | 1.1° | 0.0° |
| C12 | O15 | C16 | H12 | 180.0° | 59.9° |
| C12 | O15 | C16 | H13 | 60.0° | 60.1° |
| C12 | O15 | C16 | H14 | 60.0° | 180.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C13 | C12 | O15 | C16 | 8.8° | 0.0° |
| C13 | C12 | C11 | H10 | 178.8° | 180.0° |
| C12 | C13 | C14 | H11 | 179.7° | 180.0° |
| C27 | C28 | C29 | H9 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | H21 | 179.9° | 179.8° |
| C28 | C27 | C32 | H23 | 179.0° | 180.0° |
| O15 | C16 | H12 | H13 | 120.0° | 120.0° |
| O15 | C16 | H12 | H14 | 120.0° | 120.0° |
| O15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C31 | C30 | C29 | C28 | 0.4° | 0.1° |
| C31 | C30 | C29 | CL1 | 179.5° | 179.9° |
| C31 | C30 | C29 | H21 | 179.6° | 180.0° |
| C30 | C31 | C32 | H23 | 179.6° | 179.8° |
| C28 | C29 | C30 | H21 | 180.0° | 179.9° |
| C28 | C29 | C30 | CL1 | 179.9° | 180.0° |
| C30 | C29 | C28 | H9 | 179.9° | 180.0° |
| C29 | C30 | C31 | H22 | 179.7° | 180.0° |
| CL1 | C30 | C29 | H21 | 0.1° | 0.1° |
| CL1 | C30 | C31 | H22 | 0.2° | 0.1° |
| H1 | C10 | C11 | H10 | 0.3° | 0.2° |
| H2 | C13 | C14 | H11 | 0.3° | 0.0° |
| H5 | C24 | C23 | H17 | 141.9° | 23.0° |
| H5 | C24 | C23 | H18 | 20.3° | 98.4° |
| H5 | C24 | C25 | H19 | 3.3° | 38.3° |
| H5 | C24 | C25 | H20 | 117.4° | 85.1° |
| H6 | C24 | C23 | H17 | 21.5° | 145.5° |
| H6 | C24 | C23 | H18 | 100.1° | 24.1° |
| H6 | C24 | C25 | H19 | 123.8° | 160.9° |
| H6 | C24 | C25 | H20 | 3.0° | 37.5° |
| H7 | C26 | C25 | H19 | 143.3° | 160.9° |
| H7 | C26 | C25 | H20 | 22.6° | 37.5° |
| H8 | C26 | C25 | H19 | 20.8° | 38.3° |
| H8 | C26 | C25 | H20 | 100.0° | 85.1° |
| H9 | C28 | C29 | H21 | 0.1° | 0.1° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H22 | C31 | C32 | H23 | 0.4° | 0.2° |
