WIO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N18 | C19 | sing | 1.47Å | 1.47Å | |
| N18 | C17 | sing | 1.34Å | 1.38Å | |
| C19 | C20 | sing | 1.54Å | 1.52Å | |
| C20 | C16 | sing | 1.55Å | 1.52Å | |
| C17 | O21 | doub | 1.21Å | 1.22Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O23 | C22 | sing | 1.43Å | 1.37Å | |
| C22 | C14 | sing | 1.53Å | 1.58Å | |
| C22 | S2 | sing | 1.81Å | 1.79Å | |
| C14 | N13 | sing | 1.47Å | 1.51Å | |
| O24 | C12 | doub | 1.21Å | 1.23Å | |
| N13 | C12 | sing | 1.35Å | 1.41Å | |
| C26 | C02 | sing | 1.53Å | 1.52Å | |
| C12 | C07 | sing | 1.51Å | 1.60Å | |
| C03 | C02 | sing | 1.53Å | 1.59Å | |
| C03 | O04 | sing | 1.45Å | 1.41Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O27 | sing | 1.43Å | 1.41Å | |
| O25 | C05 | doub | 1.21Å | 1.22Å | |
| O04 | C05 | sing | 1.35Å | 1.33Å | |
| C05 | N06 | sing | 1.35Å | 1.38Å | |
| C07 | N06 | sing | 1.47Å | 1.40Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| O27 | C28 | sing | 1.36Å | 1.39Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C28 | C34 | doub | 1.39Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C34 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C11 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C32 | F33 | sing | 1.35Å | 1.37Å | |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | 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 | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C01 | H22 | sing | 1.09Å | 1.10Å | |
| C01 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| N06 | H31 | sing | 0.97Å | 1.00Å | |
| N13 | H32 | sing | 0.97Å | 1.00Å | |
| N18 | H33 | sing | 0.97Å | 1.00Å | |
| S2 | O1 | sing | 1.52Å | 1.80Å | |
| S2 | O2 | doub | 1.42Å | 42.41Å | |
| S2 | O3 | doub | 1.42Å | 42.41Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| O23 | H36 | sing | 0.97Å | 0.95Å | |
| O1 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N18 | C17 | 109.8° | 111.3° |
| N18 | C19 | C20 | 104.5° | 105.5° |
| N18 | C19 | H15 | 110.7° | 110.4° |
| N18 | C19 | H16 | 110.7° | 110.2° |
| C19 | N18 | H33 | 125.1° | 124.3° |
| N18 | C17 | O21 | 122.3° | 124.9° |
| N18 | C17 | C16 | 111.0° | 110.1° |
| C17 | N18 | H33 | 125.1° | 124.4° |
| C19 | C20 | C16 | 105.9° | 101.8° |
| C20 | C19 | H15 | 110.7° | 110.2° |
| C20 | C19 | H16 | 110.7° | 110.2° |
| C19 | C20 | H17 | 110.3° | 110.9° |
| C19 | C20 | H18 | 110.4° | 111.0° |
| C20 | C16 | C17 | 102.4° | 104.3° |
| C20 | C16 | C15 | 113.4° | 110.5° |
| C20 | C16 | H14 | 111.0° | 110.5° |
| C16 | C20 | H17 | 110.4° | 110.9° |
| C16 | C20 | H18 | 110.4° | 111.0° |
| O21 | C17 | C16 | 126.7° | 125.0° |
| C17 | C16 | C15 | 108.0° | 110.5° |
| C17 | C16 | H14 | 111.0° | 110.5° |
| C16 | C15 | C14 | 117.2° | 109.5° |
| C16 | C15 | H12 | 107.5° | 109.4° |
| C16 | C15 | H13 | 107.5° | 109.5° |
| C15 | C16 | H14 | 110.8° | 110.5° |
| C15 | C14 | C22 | 104.7° | 109.5° |
| C15 | C14 | N13 | 112.0° | 109.5° |
| C15 | C14 | H11 | 108.2° | 109.5° |
| C14 | C15 | H12 | 107.5° | 109.5° |
| C14 | C15 | H13 | 107.5° | 109.5° |
| O23 | C22 | C14 | 109.7° | 109.5° |
| O23 | C22 | S2 | 121.3° | 109.4° |
| O23 | C22 | H35 | 104.6° | 109.4° |
| C22 | O23 | H36 | 109.5° | 114.0° |
| C14 | C22 | S2 | 114.6° | 109.5° |
| C22 | C14 | N13 | 115.5° | 109.4° |
| C22 | C14 | H11 | 107.7° | 109.4° |
| C14 | C22 | H35 | 102.7° | 109.5° |
| C22 | S2 | O1 | 95.8° | 104.4° |
| C22 | S2 | O2 | 51.8° | 110.5° |
| C22 | S2 | O3 | 51.8° | 110.6° |
| S2 | C22 | H35 | 101.1° | 109.5° |
| C14 | N13 | C12 | 126.6° | 120.0° |
| N13 | C14 | H11 | 108.4° | 109.5° |
| C14 | N13 | H32 | 116.7° | 120.0° |
| O24 | C12 | N13 | 120.5° | 120.0° |
| O24 | C12 | C07 | 116.0° | 120.0° |
| N13 | C12 | C07 | 123.5° | 120.0° |
| C12 | N13 | H32 | 116.7° | 120.0° |
| C26 | C02 | C03 | 107.8° | 109.5° |
| C26 | C02 | C01 | 114.9° | 109.4° |
| C26 | C02 | O27 | 107.8° | 109.5° |
| C02 | C26 | H24 | 109.5° | 109.4° |
| C02 | C26 | H25 | 109.5° | 109.5° |
| C02 | C26 | H26 | 109.4° | 109.5° |
| C12 | C07 | N06 | 108.6° | 109.4° |
| C12 | C07 | C08 | 113.9° | 109.5° |
| C12 | C07 | H1 | 105.9° | 109.5° |
| C02 | C03 | O04 | 112.7° | 109.5° |
| C03 | C02 | C01 | 107.2° | 109.5° |
| C03 | C02 | O27 | 110.4° | 109.5° |
| C02 | C03 | H19 | 108.7° | 109.4° |
| C02 | C03 | H20 | 108.6° | 109.5° |
| C03 | O04 | C05 | 123.8° | 117.0° |
| O04 | C03 | H19 | 108.6° | 109.5° |
| O04 | C03 | H20 | 108.6° | 109.5° |
| C01 | C02 | O27 | 108.6° | 109.5° |
| C02 | C01 | H21 | 109.5° | 109.5° |
| C02 | C01 | H22 | 109.5° | 109.4° |
| C02 | C01 | H23 | 109.5° | 109.5° |
| C02 | O27 | C28 | 119.5° | 117.0° |
| O25 | C05 | O04 | 115.0° | 120.0° |
| O25 | C05 | N06 | 122.0° | 120.1° |
| O04 | C05 | N06 | 123.1° | 120.0° |
| C05 | N06 | C07 | 121.2° | 120.0° |
| C05 | N06 | H31 | 119.4° | 120.0° |
| N06 | C07 | C08 | 113.3° | 109.5° |
| N06 | C07 | H1 | 108.2° | 109.4° |
| C07 | N06 | H31 | 119.4° | 120.0° |
| C07 | C08 | C09 | 113.5° | 109.5° |
| C08 | C07 | H1 | 106.4° | 109.5° |
| C07 | C08 | H2 | 108.5° | 109.5° |
| C07 | C08 | H3 | 108.4° | 109.5° |
| O27 | C28 | C34 | 122.2° | 120.1° |
| O27 | C28 | C29 | 119.6° | 120.1° |
| C08 | C09 | C11 | 111.8° | 109.5° |
| C08 | C09 | C10 | 112.3° | 109.5° |
| C09 | C08 | H2 | 108.4° | 109.5° |
| C09 | C08 | H3 | 108.4° | 109.5° |
| C08 | C09 | H4 | 107.6° | 109.5° |
| C34 | C28 | C29 | 118.1° | 119.8° |
| C28 | C34 | C32 | 118.6° | 120.0° |
| C28 | C34 | H30 | 120.7° | 120.0° |
| C28 | C29 | C30 | 121.0° | 120.1° |
| C28 | C29 | H27 | 119.5° | 120.0° |
| C34 | C32 | F33 | 119.6° | 120.0° |
| C34 | C32 | C31 | 124.3° | 120.0° |
| C32 | C34 | H30 | 120.7° | 120.1° |
| C29 | C30 | C31 | 121.6° | 120.0° |
| C30 | C29 | H27 | 119.5° | 120.0° |
| C29 | C30 | H28 | 119.2° | 120.0° |
| C11 | C09 | C10 | 109.8° | 109.4° |
| C11 | C09 | H4 | 107.5° | 109.5° |
| C09 | C11 | H8 | 109.5° | 109.5° |
| C09 | C11 | H9 | 109.5° | 109.5° |
| C09 | C11 | H10 | 109.5° | 109.5° |
| C10 | C09 | H4 | 107.7° | 109.5° |
| C09 | C10 | H5 | 109.5° | 109.5° |
| C09 | C10 | H6 | 109.5° | 109.5° |
| C09 | C10 | H7 | 109.5° | 109.5° |
| F33 | C32 | C31 | 116.2° | 120.0° |
| C32 | C31 | C30 | 116.3° | 120.1° |
| C32 | C31 | H29 | 121.8° | 119.9° |
| C31 | C30 | H28 | 119.2° | 120.0° |
| C30 | C31 | H29 | 121.8° | 119.9° |
| H2 | C08 | H3 | 109.5° | 109.4° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H5 | C10 | H7 | 109.4° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 110.2° |
| H17 | C20 | H18 | 109.5° | 110.9° |
| H19 | C03 | H20 | 109.5° | 109.5° |
| H21 | C01 | H22 | 109.4° | 109.5° |
| H21 | C01 | H23 | 109.5° | 109.5° |
| H22 | C01 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.4° | 109.5° |
| H24 | C26 | H26 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.4° |
| O1 | S2 | O2 | 77.8° | 104.2° |
| O1 | S2 | O3 | 77.8° | 104.3° |
| S2 | O1 | H34 | 109.5° | 114.0° |
| O2 | S2 | O3 | 0.0° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N18 | C17 | H33 | 180.0° | 179.9° |
| N18 | C19 | C20 | H15 | 119.2° | 119.2° |
| N18 | C19 | C20 | H16 | 119.2° | 119.0° |
| N18 | C19 | C20 | C16 | 25.2° | 25.3° |
| C19 | N18 | C17 | O21 | 179.2° | 179.6° |
| C19 | N18 | C17 | C16 | 1.4° | 0.4° |
| N18 | C19 | H15 | H16 | 122.3° | 122.0° |
| N18 | C19 | C20 | H17 | 144.6° | 92.8° |
| N18 | C19 | C20 | H18 | 94.3° | 143.4° |
| C17 | N18 | C19 | C20 | 16.6° | 16.9° |
| N18 | C17 | C16 | C20 | 14.3° | 16.2° |
| N18 | C17 | O21 | C16 | 179.3° | 179.9° |
| N18 | C17 | C16 | C15 | 134.2° | 134.9° |
| N18 | C17 | C16 | H14 | 104.2° | 102.5° |
| C17 | N18 | C19 | H15 | 102.6° | 136.0° |
| C17 | N18 | C19 | H16 | 135.8° | 102.0° |
| C19 | C20 | C16 | H17 | 119.4° | 118.1° |
| C19 | C20 | C16 | H18 | 119.4° | 118.2° |
| C19 | C20 | C16 | C17 | 23.7° | 24.7° |
| C19 | C20 | C16 | C15 | 139.8° | 143.4° |
| C19 | C20 | C16 | H14 | 94.8° | 94.0° |
| C20 | C19 | H15 | H16 | 122.4° | 121.9° |
| C19 | C20 | H17 | H18 | 121.6° | 123.9° |
| C20 | C19 | N18 | H33 | 163.5° | 163.0° |
| C20 | C16 | C17 | O21 | 165.1° | 163.8° |
| C20 | C16 | C17 | C15 | 119.9° | 118.7° |
| C20 | C16 | C17 | H14 | 118.5° | 118.7° |
| C20 | C16 | C15 | H14 | 125.5° | 122.5° |
| C20 | C16 | C15 | C14 | 70.2° | 66.0° |
| C20 | C16 | C15 | H12 | 50.9° | 174.1° |
| C20 | C16 | C15 | H13 | 168.7° | 54.1° |
| C16 | C20 | C19 | H15 | 94.0° | 144.5° |
| C16 | C20 | C19 | H16 | 144.3° | 93.7° |
| C16 | C20 | H17 | H18 | 121.7° | 123.8° |
| O21 | C17 | C16 | C15 | 45.2° | 45.1° |
| O21 | C17 | C16 | H14 | 76.5° | 77.5° |
| O21 | C17 | N18 | H33 | 0.8° | 0.5° |
| C17 | C16 | C15 | H14 | 121.8° | 122.6° |
| C17 | C16 | C15 | C14 | 177.2° | 179.2° |
| C17 | C16 | C15 | H12 | 61.8° | 59.2° |
| C17 | C16 | C15 | H13 | 56.0° | 60.8° |
| C17 | C16 | C20 | H17 | 143.1° | 93.3° |
| C17 | C16 | C20 | H18 | 95.7° | 142.9° |
| C16 | C17 | N18 | H33 | 178.6° | 179.5° |
| C16 | C15 | C14 | H12 | 121.1° | 120.0° |
| C16 | C15 | C14 | H13 | 121.1° | 120.0° |
| C16 | C15 | C14 | C22 | 178.3° | 177.4° |
| C16 | C15 | C14 | N13 | 55.7° | 62.7° |
| C16 | C15 | C14 | H11 | 63.7° | 57.4° |
| C16 | C15 | H12 | H13 | 116.5° | 120.0° |
| C15 | C16 | C20 | H17 | 100.8° | 25.4° |
| C15 | C16 | C20 | H18 | 20.3° | 98.4° |
| C15 | C14 | C22 | O23 | 123.7° | 62.6° |
| C15 | C14 | C22 | N13 | 123.7° | 120.0° |
| C15 | C14 | C22 | H11 | 114.9° | 120.0° |
| C15 | C14 | C22 | S2 | 95.8° | 177.4° |
| C15 | C14 | N13 | H11 | 119.3° | 120.1° |
| C15 | C14 | N13 | C12 | 119.8° | 56.0° |
| C14 | C15 | H12 | H13 | 116.5° | 120.0° |
| C14 | C15 | C16 | H14 | 55.4° | 56.6° |
| C15 | C14 | N13 | H32 | 60.2° | 124.0° |
| C15 | C14 | C22 | H35 | 12.9° | 57.4° |
| O23 | C22 | C14 | S2 | 140.5° | 120.0° |
| O23 | C22 | C14 | H35 | 110.8° | 120.0° |
| O23 | C22 | S2 | H35 | 114.8° | 119.9° |
| O23 | C22 | C14 | N13 | 112.6° | 177.4° |
| O23 | C22 | C14 | H11 | 8.7° | 57.5° |
| O23 | C22 | S2 | O1 | 35.5° | 176.1° |
| O23 | C22 | S2 | O2 | 105.0° | 72.4° |
| O23 | C22 | S2 | O3 | 105.0° | 64.4° |
| C14 | C22 | S2 | H35 | 109.6° | 120.1° |
| C22 | C14 | N13 | H11 | 120.9° | 119.9° |
| C22 | C14 | N13 | C12 | 120.5° | 64.0° |
| C22 | C14 | C15 | H12 | 57.2° | 62.7° |
| C22 | C14 | C15 | H13 | 60.6° | 57.3° |
| C22 | C14 | N13 | H32 | 59.6° | 116.0° |
| C14 | C22 | S2 | O1 | 171.1° | 63.9° |
| C14 | C22 | S2 | O2 | 119.4° | 47.6° |
| C14 | C22 | S2 | O3 | 119.4° | 175.6° |
| C14 | C22 | O23 | H36 | 180.0° | 60.0° |
| S2 | C22 | C14 | N13 | 27.9° | 57.4° |
| S2 | C22 | C14 | H11 | 149.3° | 62.5° |
| C22 | S2 | O1 | O2 | 48.8° | 116.0° |
| C22 | S2 | O1 | O3 | 48.8° | 116.1° |
| C22 | S2 | O2 | O3 | 90.0° | 131.5° |
| S2 | C22 | O23 | H36 | 42.6° | 180.0° |
| C22 | S2 | O1 | H34 | 180.0° | 180.0° |
| C14 | N13 | C12 | O24 | 1.2° | 4.4° |
| C14 | N13 | C12 | H32 | 180.0° | 180.0° |
| C14 | N13 | C12 | C07 | 179.3° | 175.7° |
| N13 | C14 | C15 | H12 | 176.8° | 57.3° |
| N13 | C14 | C15 | H13 | 65.4° | 177.3° |
| N13 | C14 | C22 | H35 | 136.6° | 62.6° |
| O24 | C12 | N13 | C07 | 179.5° | 180.0° |
| O24 | C12 | C07 | N06 | 55.2° | 0.0° |
| O24 | C12 | C07 | C08 | 72.2° | 120.0° |
| O24 | C12 | C07 | H1 | 171.2° | 120.0° |
| O24 | C12 | N13 | H32 | 178.8° | 175.6° |
| N13 | C12 | C07 | N06 | 125.3° | 180.0° |
| N13 | C12 | C07 | C08 | 107.4° | 60.0° |
| N13 | C12 | C07 | H1 | 9.2° | 60.0° |
| C12 | N13 | C14 | H11 | 0.5° | 176.0° |
| C26 | C02 | C03 | C01 | 124.3° | 120.0° |
| C26 | C02 | C03 | O27 | 117.6° | 120.0° |
| C26 | C02 | C03 | O04 | 73.2° | 60.0° |
| C26 | C02 | C01 | O27 | 120.9° | 120.0° |
| C26 | C02 | O27 | C28 | 174.9° | 59.7° |
| C26 | C02 | C03 | H19 | 47.3° | 180.0° |
| C26 | C02 | C03 | H20 | 166.4° | 60.0° |
| C26 | C02 | C01 | H21 | 180.0° | 49.3° |
| C26 | C02 | C01 | H22 | 60.0° | 70.6° |
| C26 | C02 | C01 | H23 | 60.0° | 169.3° |
| C02 | C26 | H24 | H25 | 120.0° | 120.0° |
| C02 | C26 | H24 | H26 | 120.0° | 120.0° |
| C02 | C26 | H25 | H26 | 120.0° | 120.0° |
| C12 | C07 | N06 | C05 | 64.9° | 155.0° |
| C12 | C07 | N06 | C08 | 127.7° | 120.0° |
| C12 | C07 | N06 | H1 | 114.6° | 120.0° |
| C12 | C07 | C08 | H1 | 116.3° | 120.0° |
| C12 | C07 | C08 | C09 | 176.0° | 175.0° |
| C12 | C07 | C08 | H2 | 55.4° | 64.9° |
| C12 | C07 | C08 | H3 | 63.4° | 55.0° |
| C12 | C07 | N06 | H31 | 115.1° | 25.1° |
| C07 | C12 | N13 | H32 | 0.7° | 4.4° |
| C02 | C03 | O04 | H19 | 120.5° | 120.0° |
| C02 | C03 | O04 | H20 | 120.5° | 120.0° |
| C03 | C02 | C01 | O27 | 119.3° | 120.1° |
| C02 | C03 | O04 | C05 | 162.7° | 180.0° |
| C03 | C02 | O27 | C28 | 57.3° | 179.8° |
| C02 | C03 | H19 | H20 | 118.5° | 120.0° |
| C03 | C02 | C01 | H21 | 60.2° | 70.7° |
| C03 | C02 | C01 | H22 | 59.8° | 169.4° |
| C03 | C02 | C01 | H23 | 179.8° | 49.3° |
| C03 | C02 | C26 | H24 | 180.0° | 61.7° |
| C03 | C02 | C26 | H25 | 60.0° | 178.3° |
| C03 | C02 | C26 | H26 | 60.0° | 58.3° |
| O04 | C03 | C02 | C01 | 162.6° | 60.0° |
| O04 | C03 | C02 | O27 | 44.4° | 180.0° |
| C03 | O04 | C05 | O25 | 0.2° | 0.0° |
| C03 | O04 | C05 | N06 | 179.9° | 180.0° |
| O04 | C03 | H19 | H20 | 118.5° | 120.0° |
| C01 | C02 | O27 | C28 | 60.0° | 60.2° |
| C01 | C02 | C03 | H19 | 77.0° | 60.0° |
| C01 | C02 | C03 | H20 | 42.1° | 180.0° |
| C02 | C01 | H21 | H22 | 120.0° | 119.9° |
| C02 | C01 | H21 | H23 | 120.0° | 120.0° |
| C02 | C01 | H22 | H23 | 120.0° | 120.0° |
| C01 | C02 | C26 | H24 | 60.5° | 178.3° |
| C01 | C02 | C26 | H25 | 59.5° | 58.3° |
| C01 | C02 | C26 | H26 | 179.5° | 61.7° |
| C02 | O27 | C28 | C34 | 83.2° | 179.0° |
| C02 | O27 | C28 | C29 | 97.2° | 0.7° |
| O27 | C02 | C03 | H19 | 164.9° | 60.0° |
| O27 | C02 | C03 | H20 | 76.0° | 60.0° |
| O27 | C02 | C01 | H21 | 59.1° | 169.3° |
| O27 | C02 | C01 | H22 | 179.1° | 49.3° |
| O27 | C02 | C01 | H23 | 60.9° | 70.7° |
| O27 | C02 | C26 | H24 | 60.8° | 58.3° |
| O27 | C02 | C26 | H25 | 179.3° | 61.6° |
| O27 | C02 | C26 | H26 | 59.2° | 178.4° |
| O25 | C05 | O04 | N06 | 179.7° | 180.0° |
| O25 | C05 | N06 | C07 | 8.9° | 0.0° |
| O25 | C05 | N06 | H31 | 171.1° | 179.9° |
| O04 | C05 | N06 | C07 | 170.8° | 180.0° |
| C05 | O04 | C03 | H19 | 76.8° | 60.1° |
| C05 | O04 | C03 | H20 | 42.2° | 60.0° |
| O04 | C05 | N06 | H31 | 9.2° | 0.1° |
| C05 | N06 | C07 | H31 | 180.0° | 179.9° |
| C05 | N06 | C07 | C08 | 167.5° | 85.0° |
| C05 | N06 | C07 | H1 | 49.7° | 35.0° |
| N06 | C07 | C08 | H1 | 118.8° | 120.0° |
| N06 | C07 | C08 | C09 | 51.1° | 65.0° |
| N06 | C07 | C08 | H2 | 69.5° | 55.0° |
| N06 | C07 | C08 | H3 | 171.7° | 175.0° |
| C07 | C08 | C09 | H2 | 120.6° | 120.1° |
| C07 | C08 | C09 | H3 | 120.6° | 120.0° |
| C07 | C08 | C09 | C11 | 47.1° | 65.0° |
| C07 | C08 | C09 | C10 | 171.1° | 175.0° |
| C07 | C08 | H2 | H3 | 118.1° | 120.0° |
| C07 | C08 | C09 | H4 | 70.7° | 55.0° |
| C08 | C07 | N06 | H31 | 12.5° | 95.0° |
| O27 | C28 | C34 | C29 | 179.5° | 179.7° |
| O27 | C28 | C34 | C32 | 179.9° | 179.7° |
| O27 | C28 | C29 | C30 | 179.8° | 179.7° |
| O27 | C28 | C29 | H27 | 0.2° | 0.4° |
| O27 | C28 | C34 | H30 | 0.1° | 0.2° |
| C08 | C09 | C11 | C10 | 125.3° | 120.0° |
| C08 | C09 | C11 | H4 | 117.8° | 120.0° |
| C08 | C09 | C10 | H4 | 118.2° | 120.0° |
| C09 | C08 | C07 | H1 | 67.7° | 55.0° |
| C09 | C08 | H2 | H3 | 118.1° | 120.0° |
| C08 | C09 | C10 | H5 | 180.0° | 60.0° |
| C08 | C09 | C10 | H6 | 60.0° | 180.0° |
| C08 | C09 | C10 | H7 | 60.0° | 60.0° |
| C08 | C09 | C11 | H8 | 180.0° | 60.0° |
| C08 | C09 | C11 | H9 | 60.0° | 60.0° |
| C08 | C09 | C11 | H10 | 60.0° | 180.0° |
| C28 | C34 | C32 | H30 | 180.0° | 179.9° |
| C34 | C28 | C29 | C30 | 0.3° | 0.0° |
| C28 | C34 | C32 | F33 | 179.7° | 179.9° |
| C28 | C34 | C32 | C31 | 0.7° | 0.0° |
| C34 | C28 | C29 | H27 | 179.7° | 179.9° |
| C29 | C28 | C34 | C32 | 0.6° | 0.0° |
| C28 | C29 | C30 | H27 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C28 | C29 | C30 | H28 | 180.0° | 179.9° |
| C29 | C28 | C34 | H30 | 179.4° | 179.9° |
| C34 | C32 | F33 | C31 | 179.7° | 180.0° |
| C34 | C32 | C31 | C30 | 0.4° | 0.0° |
| C34 | C32 | C31 | H29 | 179.6° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H28 | 180.0° | 179.9° |
| C29 | C30 | C31 | H29 | 179.9° | 180.0° |
| C11 | C09 | C10 | H4 | 116.8° | 120.0° |
| C11 | C09 | C08 | H2 | 167.8° | 175.0° |
| C11 | C09 | C08 | H3 | 73.5° | 55.0° |
| C11 | C09 | C10 | H5 | 55.0° | 60.0° |
| C11 | C09 | C10 | H6 | 175.0° | 60.0° |
| C11 | C09 | C10 | H7 | 65.0° | 180.0° |
| C09 | C11 | H8 | H9 | 120.0° | 120.0° |
| C09 | C11 | H8 | H10 | 120.0° | 120.0° |
| C09 | C11 | H9 | H10 | 120.0° | 120.0° |
| C10 | C09 | C08 | H2 | 68.3° | 55.0° |
| C10 | C09 | C08 | H3 | 50.5° | 65.0° |
| C09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C09 | C10 | H5 | H7 | 120.0° | 120.0° |
| C09 | C10 | H6 | H7 | 120.0° | 120.0° |
| C10 | C09 | C11 | H8 | 54.7° | 60.1° |
| C10 | C09 | C11 | H9 | 65.3° | 180.0° |
| C10 | C09 | C11 | H10 | 174.7° | 60.0° |
| F33 | C32 | C31 | C30 | 179.9° | 179.9° |
| F33 | C32 | C31 | H29 | 0.1° | 0.0° |
| F33 | C32 | C34 | H30 | 0.3° | 0.1° |
| C32 | C31 | C30 | H29 | 180.0° | 180.0° |
| C32 | C31 | C30 | H28 | 179.9° | 179.9° |
| C31 | C32 | C34 | H30 | 179.3° | 179.9° |
| C31 | C30 | C29 | H27 | 180.0° | 179.9° |
| H1 | C07 | C08 | H2 | 171.7° | 175.0° |
| H1 | C07 | C08 | H3 | 52.9° | 65.0° |
| H1 | C07 | N06 | H31 | 130.3° | 145.0° |
| H2 | C08 | C09 | H4 | 49.9° | 65.0° |
| H3 | C08 | C09 | H4 | 168.7° | 175.0° |
| H4 | C09 | C10 | H5 | 61.8° | 180.0° |
| H4 | C09 | C10 | H6 | 58.2° | 60.0° |
| H4 | C09 | C10 | H7 | 178.2° | 60.0° |
| H4 | C09 | C11 | H8 | 62.2° | 180.0° |
| H4 | C09 | C11 | H9 | 177.8° | 60.0° |
| H4 | C09 | C11 | H10 | 57.8° | 60.0° |
| H5 | C10 | H6 | H7 | 120.0° | 119.9° |
| H8 | C11 | H9 | H10 | 119.9° | 120.1° |
| H11 | C14 | C15 | H12 | 57.4° | 177.3° |
| H11 | C14 | C15 | H13 | 175.2° | 62.6° |
| H11 | C14 | N13 | H32 | 179.5° | 4.0° |
| H11 | C14 | C22 | H35 | 102.1° | 177.4° |
| H12 | C15 | C16 | H14 | 176.5° | 63.4° |
| H13 | C15 | C16 | H14 | 65.8° | 176.6° |
| H14 | C16 | C20 | H17 | 24.6° | 147.9° |
| H14 | C16 | C20 | H18 | 145.8° | 24.1° |
| H15 | C19 | C20 | H17 | 25.4° | 26.4° |
| H15 | C19 | C20 | H18 | 146.5° | 97.4° |
| H15 | C19 | N18 | H33 | 77.3° | 43.9° |
| H16 | C19 | C20 | H17 | 96.2° | 148.3° |
| H16 | C19 | C20 | H18 | 24.9° | 24.4° |
| H16 | C19 | N18 | H33 | 44.3° | 78.1° |
| H21 | C01 | H22 | H23 | 120.0° | 120.0° |
| H24 | C26 | H25 | H26 | 120.0° | 120.0° |
| H27 | C29 | C30 | H28 | 0.0° | 0.0° |
| H28 | C30 | C31 | H29 | 0.1° | 0.0° |
| O1 | S2 | O2 | O3 | 90.0° | 116.8° |
| O1 | S2 | C22 | H35 | 79.3° | 56.1° |
| O2 | S2 | C22 | H35 | 9.8° | 167.7° |
| O2 | S2 | O1 | H34 | 131.2° | 64.0° |
| O3 | S2 | C22 | H35 | 9.8° | 55.6° |
| O3 | S2 | O1 | H34 | 131.2° | 63.9° |
| H35 | C22 | O23 | H36 | 70.5° | 60.0° |
