WIX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N23 | C24 | sing | 1.47Å | 1.47Å | |
| N23 | C22 | sing | 1.34Å | 1.42Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| C22 | O26 | doub | 1.21Å | 1.26Å | |
| C22 | C21 | sing | 1.51Å | 1.48Å | |
| C25 | C21 | sing | 1.55Å | 1.56Å | |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.58Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C27 | sing | 1.53Å | 1.59Å | |
| C19 | N18 | sing | 1.47Å | 1.52Å | |
| C27 | S2 | sing | 1.81Å | 1.82Å | |
| O07 | C05 | sing | 1.43Å | 1.45Å | |
| N18 | C17 | sing | 1.35Å | 1.39Å | |
| C06 | C05 | sing | 1.53Å | 1.58Å | |
| O29 | C17 | doub | 1.21Å | 1.26Å | |
| C08 | C05 | sing | 1.53Å | 1.59Å | |
| C08 | O09 | sing | 1.45Å | 1.42Å | |
| C05 | C04 | sing | 1.51Å | 1.58Å | |
| C17 | C12 | sing | 1.51Å | 1.57Å | |
| O30 | C10 | doub | 1.22Å | 1.26Å | |
| C10 | O09 | sing | 1.35Å | 1.37Å | |
| C10 | N11 | sing | 1.35Å | 1.39Å | |
| C04 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| N11 | C12 | sing | 1.46Å | 1.41Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.79Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | 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 | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| N11 | H29 | sing | 0.97Å | 1.00Å | |
| N18 | H30 | sing | 0.97Å | 1.00Å | |
| N23 | H31 | sing | 0.97Å | 1.00Å | |
| O07 | H32 | sing | 0.97Å | 0.95Å | |
| O28 | H33 | sing | 0.97Å | 0.95Å | |
| S2 | O1 | sing | 1.52Å | 1.80Å | |
| S2 | O2 | doub | 1.42Å | 42.70Å | |
| S2 | O3 | doub | 1.42Å | 42.70Å | |
| O1 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N23 | C22 | 107.1° | 111.3° |
| N23 | C24 | C25 | 107.6° | 105.4° |
| N23 | C24 | H21 | 109.9° | 110.3° |
| N23 | C24 | H22 | 109.9° | 110.4° |
| C24 | N23 | H31 | 126.5° | 124.3° |
| N23 | C22 | O26 | 122.7° | 125.0° |
| N23 | C22 | C21 | 115.0° | 110.1° |
| C22 | N23 | H31 | 126.4° | 124.4° |
| C24 | C25 | C21 | 106.1° | 101.8° |
| C25 | C24 | H21 | 109.9° | 110.2° |
| C25 | C24 | H22 | 109.9° | 110.2° |
| C24 | C25 | H23 | 110.3° | 111.0° |
| C24 | C25 | H24 | 110.3° | 111.0° |
| O26 | C22 | C21 | 122.3° | 124.9° |
| C22 | C21 | C25 | 102.3° | 104.3° |
| C22 | C21 | C20 | 113.7° | 110.5° |
| C22 | C21 | H20 | 110.1° | 110.5° |
| C25 | C21 | C20 | 112.8° | 110.5° |
| C25 | C21 | H20 | 109.0° | 110.4° |
| C21 | C25 | H23 | 110.3° | 111.0° |
| C21 | C25 | H24 | 110.3° | 111.0° |
| O28 | C27 | C19 | 105.3° | 109.4° |
| O28 | C27 | S2 | 111.8° | 109.5° |
| O28 | C27 | H25 | 112.5° | 109.5° |
| C27 | O28 | H33 | 109.5° | 114.0° |
| C21 | C20 | C19 | 112.0° | 109.4° |
| C21 | C20 | H18 | 108.9° | 109.4° |
| C21 | C20 | H19 | 108.8° | 109.5° |
| C20 | C21 | H20 | 108.8° | 110.4° |
| C20 | C19 | C27 | 114.3° | 109.5° |
| C20 | C19 | N18 | 108.1° | 109.5° |
| C20 | C19 | H17 | 110.0° | 109.5° |
| C19 | C20 | H18 | 108.8° | 109.5° |
| C19 | C20 | H19 | 108.8° | 109.5° |
| C27 | C19 | N18 | 104.6° | 109.4° |
| C19 | C27 | S2 | 109.2° | 109.5° |
| C27 | C19 | H17 | 109.4° | 109.5° |
| C19 | C27 | H25 | 110.4° | 109.5° |
| C19 | N18 | C17 | 127.3° | 120.0° |
| N18 | C19 | H17 | 110.2° | 109.4° |
| C19 | N18 | H30 | 116.3° | 119.9° |
| S2 | C27 | H25 | 107.7° | 109.5° |
| C27 | S2 | O1 | 94.3° | 104.5° |
| C27 | S2 | O2 | 75.4° | 110.6° |
| C27 | S2 | O3 | 75.4° | 110.5° |
| O07 | C05 | C06 | 110.4° | 109.5° |
| O07 | C05 | C08 | 106.5° | 109.5° |
| O07 | C05 | C04 | 108.9° | 109.4° |
| C05 | O07 | H32 | 109.5° | 114.0° |
| N18 | C17 | O29 | 116.8° | 120.0° |
| N18 | C17 | C12 | 125.0° | 120.0° |
| C17 | N18 | H30 | 116.4° | 120.0° |
| C06 | C05 | C08 | 107.2° | 109.5° |
| C06 | C05 | C04 | 111.3° | 109.5° |
| C05 | C06 | H2 | 109.5° | 109.4° |
| C05 | C06 | H3 | 109.4° | 109.5° |
| C05 | C06 | H4 | 109.5° | 109.4° |
| O29 | C17 | C12 | 118.2° | 120.0° |
| C05 | C08 | O09 | 111.2° | 109.5° |
| C08 | C05 | C04 | 112.4° | 109.5° |
| C05 | C08 | H5 | 109.0° | 109.5° |
| C05 | C08 | H6 | 109.0° | 109.5° |
| C08 | O09 | C10 | 117.6° | 117.0° |
| O09 | C08 | H5 | 109.1° | 109.5° |
| O09 | C08 | H6 | 109.1° | 109.4° |
| C05 | C04 | C31 | 119.3° | 120.0° |
| C05 | C04 | C03 | 121.9° | 120.0° |
| C17 | C12 | N11 | 106.8° | 109.5° |
| C17 | C12 | C13 | 110.3° | 109.5° |
| C17 | C12 | H7 | 107.9° | 109.4° |
| O30 | C10 | O09 | 113.4° | 120.0° |
| O30 | C10 | N11 | 122.4° | 120.0° |
| O09 | C10 | N11 | 124.2° | 120.0° |
| C10 | N11 | C12 | 123.7° | 120.0° |
| C10 | N11 | H29 | 118.2° | 120.0° |
| C31 | C04 | C03 | 118.8° | 120.0° |
| C04 | C31 | C32 | 120.5° | 120.0° |
| C04 | C31 | H26 | 119.8° | 120.0° |
| C04 | C03 | C02 | 119.6° | 120.0° |
| C04 | C03 | H1 | 120.2° | 120.0° |
| N11 | C12 | C13 | 113.4° | 109.5° |
| N11 | C12 | H7 | 110.0° | 109.5° |
| C12 | N11 | H29 | 118.1° | 120.0° |
| C12 | C13 | C14 | 113.3° | 109.5° |
| C13 | C12 | H7 | 108.3° | 109.4° |
| C12 | C13 | H8 | 108.5° | 109.4° |
| C12 | C13 | H9 | 108.5° | 109.5° |
| C31 | C32 | C33 | 120.8° | 120.0° |
| C32 | C31 | H26 | 119.7° | 120.0° |
| C31 | C32 | H27 | 119.6° | 120.0° |
| C03 | C02 | C33 | 122.7° | 120.0° |
| C03 | C02 | CL01 | 119.0° | 120.0° |
| C02 | C03 | H1 | 120.2° | 120.0° |
| C13 | C14 | C16 | 109.8° | 109.5° |
| C13 | C14 | C15 | 114.6° | 109.4° |
| C14 | C13 | H8 | 108.5° | 109.5° |
| C14 | C13 | H9 | 108.5° | 109.5° |
| C13 | C14 | H10 | 107.1° | 109.5° |
| C32 | C33 | C02 | 117.6° | 120.0° |
| C33 | C32 | H27 | 119.6° | 120.0° |
| C32 | C33 | H28 | 121.2° | 120.0° |
| C33 | C02 | CL01 | 118.3° | 120.0° |
| C02 | C33 | H28 | 121.2° | 120.0° |
| C16 | C14 | C15 | 110.0° | 109.4° |
| C16 | C14 | H10 | 107.5° | 109.5° |
| C14 | C16 | H14 | 109.5° | 109.5° |
| C14 | C16 | H15 | 109.5° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C15 | C14 | H10 | 107.5° | 109.4° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C14 | C15 | H13 | 109.5° | 109.4° |
| H2 | C06 | H3 | 109.5° | 109.5° |
| H2 | C06 | H4 | 109.4° | 109.5° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H5 | C08 | H6 | 109.5° | 109.4° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H13 | 109.4° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H16 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 110.2° |
| H23 | C25 | H24 | 109.5° | 110.8° |
| O1 | S2 | O2 | 81.5° | 104.3° |
| O1 | S2 | O3 | 81.5° | 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) |
| C24 | N23 | C22 | H31 | 180.0° | 179.9° |
| N23 | C24 | C25 | H21 | 119.7° | 119.0° |
| N23 | C24 | C25 | H22 | 119.7° | 119.1° |
| C24 | N23 | C22 | O26 | 178.3° | 179.7° |
| C24 | N23 | C22 | C21 | 1.8° | 0.3° |
| N23 | C24 | C25 | C21 | 14.2° | 25.4° |
| N23 | C24 | H21 | H22 | 120.9° | 122.2° |
| N23 | C24 | C25 | H23 | 133.7° | 143.5° |
| N23 | C24 | C25 | H24 | 105.2° | 92.7° |
| C22 | N23 | C24 | C25 | 10.0° | 16.9° |
| N23 | C22 | O26 | C21 | 179.9° | 180.0° |
| N23 | C22 | C21 | C25 | 7.0° | 16.4° |
| N23 | C22 | C21 | C20 | 128.9° | 102.4° |
| N23 | C22 | C21 | H20 | 108.8° | 135.0° |
| C22 | N23 | C24 | H21 | 109.7° | 102.0° |
| C22 | N23 | C24 | H22 | 129.8° | 135.9° |
| C24 | C25 | C21 | C22 | 12.4° | 24.9° |
| C24 | C25 | C21 | H23 | 119.5° | 118.2° |
| C24 | C25 | C21 | H24 | 119.4° | 118.1° |
| C24 | C25 | C21 | C20 | 135.0° | 93.9° |
| C24 | C25 | C21 | H20 | 104.1° | 143.6° |
| C25 | C24 | H21 | H22 | 120.9° | 121.9° |
| C24 | C25 | H23 | H24 | 121.6° | 123.8° |
| C25 | C24 | N23 | H31 | 170.0° | 163.0° |
| O26 | C22 | C21 | C25 | 172.9° | 163.7° |
| O26 | C22 | C21 | C20 | 51.0° | 77.6° |
| O26 | C22 | C21 | H20 | 71.3° | 45.0° |
| O26 | C22 | N23 | H31 | 1.6° | 0.4° |
| C22 | C21 | C25 | C20 | 122.5° | 118.8° |
| C22 | C21 | C25 | H20 | 116.5° | 118.7° |
| C22 | C21 | C20 | H20 | 123.0° | 122.6° |
| C22 | C21 | C20 | C19 | 177.6° | 68.3° |
| C22 | C21 | C20 | H18 | 57.2° | 51.8° |
| C22 | C21 | C20 | H19 | 62.0° | 171.7° |
| C22 | C21 | C25 | H23 | 131.9° | 143.0° |
| C22 | C21 | C25 | H24 | 107.0° | 93.3° |
| C21 | C22 | N23 | H31 | 178.3° | 179.6° |
| C25 | C21 | C20 | H20 | 121.1° | 122.5° |
| C25 | C21 | C20 | C19 | 61.7° | 176.8° |
| C25 | C21 | C20 | H18 | 58.7° | 63.2° |
| C25 | C21 | C20 | H19 | 177.9° | 56.8° |
| C21 | C25 | C24 | H21 | 105.5° | 93.6° |
| C21 | C25 | C24 | H22 | 133.9° | 144.5° |
| C21 | C25 | H23 | H24 | 121.6° | 123.8° |
| O28 | C27 | C19 | C20 | 62.5° | 55.0° |
| O28 | C27 | C19 | S2 | 120.1° | 120.0° |
| O28 | C27 | C19 | H25 | 121.7° | 120.0° |
| O28 | C27 | C19 | N18 | 179.4° | 175.0° |
| O28 | C27 | S2 | H25 | 124.1° | 120.0° |
| O28 | C27 | C19 | H17 | 61.3° | 65.0° |
| O28 | C27 | S2 | O1 | 48.1° | 55.0° |
| O28 | C27 | S2 | O2 | 32.0° | 56.6° |
| O28 | C27 | S2 | O3 | 32.0° | 166.7° |
| C21 | C20 | C19 | H18 | 120.4° | 120.0° |
| C21 | C20 | C19 | H19 | 120.4° | 120.0° |
| C21 | C20 | C19 | C27 | 174.0° | 175.1° |
| C21 | C20 | C19 | N18 | 57.9° | 65.0° |
| C21 | C20 | C19 | H17 | 62.5° | 55.0° |
| C21 | C20 | H18 | H19 | 118.9° | 120.0° |
| C20 | C21 | C25 | H23 | 105.5° | 24.3° |
| C20 | C21 | C25 | H24 | 15.5° | 148.0° |
| C20 | C19 | C27 | N18 | 118.1° | 120.0° |
| C20 | C19 | C27 | H17 | 123.8° | 120.1° |
| C20 | C19 | N18 | H17 | 120.3° | 120.0° |
| C20 | C19 | C27 | S2 | 57.6° | 64.9° |
| C20 | C19 | N18 | C17 | 129.8° | 155.0° |
| C19 | C20 | H18 | H19 | 118.8° | 120.0° |
| C19 | C20 | C21 | H20 | 59.4° | 54.3° |
| C20 | C19 | C27 | H25 | 175.8° | 175.0° |
| C20 | C19 | N18 | H30 | 50.2° | 25.1° |
| C27 | C19 | N18 | H17 | 117.5° | 120.0° |
| C19 | C27 | S2 | H25 | 119.9° | 120.0° |
| C27 | C19 | N18 | C17 | 108.0° | 85.0° |
| C27 | C19 | C20 | H18 | 65.6° | 65.0° |
| C27 | C19 | C20 | H19 | 53.6° | 55.1° |
| C27 | C19 | N18 | H30 | 72.1° | 94.9° |
| C19 | C27 | O28 | H33 | 180.0° | 60.0° |
| C19 | C27 | S2 | O1 | 164.1° | 175.0° |
| C19 | C27 | S2 | O2 | 84.1° | 63.3° |
| C19 | C27 | S2 | O3 | 84.1° | 73.4° |
| N18 | C19 | C27 | S2 | 60.4° | 55.1° |
| C19 | N18 | C17 | H30 | 180.0° | 179.9° |
| C19 | N18 | C17 | O29 | 1.5° | 0.1° |
| C19 | N18 | C17 | C12 | 177.9° | 180.0° |
| N18 | C19 | C20 | H18 | 178.3° | 55.0° |
| N18 | C19 | C20 | H19 | 62.4° | 175.0° |
| N18 | C19 | C27 | H25 | 57.7° | 65.0° |
| S2 | C27 | C19 | H17 | 178.5° | 175.0° |
| S2 | C27 | O28 | H33 | 61.6° | 60.0° |
| C27 | S2 | O1 | O2 | 74.5° | 116.1° |
| C27 | S2 | O1 | O3 | 74.5° | 116.1° |
| C27 | S2 | O2 | O3 | 90.0° | 131.5° |
| C27 | S2 | O1 | H34 | 180.0° | 180.0° |
| O07 | C05 | C06 | C08 | 115.6° | 120.0° |
| O07 | C05 | C06 | C04 | 121.1° | 120.0° |
| O07 | C05 | C08 | C04 | 119.2° | 120.0° |
| O07 | C05 | C08 | O09 | 159.4° | 60.0° |
| O07 | C05 | C04 | C31 | 96.1° | 30.0° |
| O07 | C05 | C04 | C03 | 83.8° | 150.1° |
| O07 | C05 | C06 | H2 | 180.0° | 60.0° |
| O07 | C05 | C06 | H3 | 60.0° | 60.0° |
| O07 | C05 | C06 | H4 | 60.0° | 180.0° |
| O07 | C05 | C08 | H5 | 80.3° | 60.0° |
| O07 | C05 | C08 | H6 | 39.1° | 180.0° |
| N18 | C17 | O29 | C12 | 179.5° | 179.9° |
| N18 | C17 | C12 | N11 | 124.1° | 180.0° |
| N18 | C17 | C12 | C13 | 112.3° | 59.9° |
| N18 | C17 | C12 | H7 | 5.8° | 60.0° |
| C17 | N18 | C19 | H17 | 9.6° | 35.0° |
| C06 | C05 | C08 | C04 | 122.6° | 120.1° |
| C06 | C05 | C08 | O09 | 82.4° | 60.0° |
| C06 | C05 | C04 | C31 | 25.9° | 90.0° |
| C06 | C05 | C04 | C03 | 154.2° | 89.9° |
| C05 | C06 | H2 | H3 | 120.0° | 120.0° |
| C05 | C06 | H2 | H4 | 120.0° | 119.9° |
| C05 | C06 | H3 | H4 | 120.0° | 120.0° |
| C06 | C05 | C08 | H5 | 37.9° | 180.0° |
| C06 | C05 | C08 | H6 | 157.4° | 60.0° |
| C06 | C05 | O07 | H32 | 180.0° | 180.0° |
| O29 | C17 | C12 | N11 | 56.5° | 0.1° |
| O29 | C17 | C12 | C13 | 67.1° | 120.0° |
| O29 | C17 | C12 | H7 | 174.7° | 120.1° |
| O29 | C17 | N18 | H30 | 178.5° | 179.9° |
| C05 | C08 | O09 | H5 | 120.2° | 120.0° |
| C05 | C08 | O09 | H6 | 120.2° | 120.0° |
| C05 | C08 | O09 | C10 | 166.4° | 180.0° |
| C08 | C05 | C04 | C31 | 146.1° | 150.0° |
| C08 | C05 | C04 | C03 | 34.0° | 30.1° |
| C08 | C05 | C06 | H2 | 64.4° | 180.0° |
| C08 | C05 | C06 | H3 | 175.7° | 60.0° |
| C08 | C05 | C06 | H4 | 55.7° | 60.0° |
| C05 | C08 | H5 | H6 | 119.2° | 120.0° |
| C08 | C05 | O07 | H32 | 63.9° | 60.0° |
| O09 | C08 | C05 | C04 | 40.2° | 180.0° |
| C08 | O09 | C10 | O30 | 26.9° | 0.0° |
| C08 | O09 | C10 | N11 | 154.0° | 180.0° |
| O09 | C08 | H5 | H6 | 119.3° | 119.9° |
| C05 | C04 | C31 | C03 | 179.9° | 179.9° |
| C05 | C04 | C31 | C32 | 179.6° | 179.9° |
| C05 | C04 | C03 | C02 | 179.7° | 180.0° |
| C05 | C04 | C03 | H1 | 0.3° | 0.1° |
| C04 | C05 | C06 | H2 | 58.9° | 60.0° |
| C04 | C05 | C06 | H3 | 61.1° | 179.9° |
| C04 | C05 | C06 | H4 | 178.9° | 60.0° |
| C04 | C05 | C08 | H5 | 160.5° | 60.0° |
| C04 | C05 | C08 | H6 | 80.1° | 60.0° |
| C05 | C04 | C31 | H26 | 0.4° | 0.0° |
| C04 | C05 | O07 | H32 | 57.5° | 60.0° |
| C17 | C12 | N11 | C10 | 65.8° | 154.9° |
| C17 | C12 | N11 | C13 | 121.7° | 120.1° |
| C17 | C12 | N11 | H7 | 116.8° | 120.0° |
| C17 | C12 | C13 | H7 | 117.9° | 120.0° |
| C17 | C12 | C13 | C14 | 179.7° | 175.0° |
| C17 | C12 | C13 | H8 | 59.8° | 65.1° |
| C17 | C12 | C13 | H9 | 59.1° | 54.9° |
| C17 | C12 | N11 | H29 | 114.2° | 25.0° |
| C12 | C17 | N18 | H30 | 2.1° | 0.0° |
| O30 | C10 | O09 | N11 | 179.1° | 179.9° |
| O30 | C10 | N11 | C12 | 7.6° | 0.0° |
| O30 | C10 | N11 | H29 | 172.4° | 180.0° |
| O09 | C10 | N11 | C12 | 171.4° | 180.0° |
| C10 | O09 | C08 | H5 | 46.2° | 60.0° |
| C10 | O09 | C08 | H6 | 73.4° | 60.0° |
| O09 | C10 | N11 | H29 | 8.6° | 0.1° |
| C10 | N11 | C12 | H29 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 172.5° | 85.0° |
| C10 | N11 | C12 | H7 | 51.0° | 35.0° |
| C04 | C31 | C32 | H26 | 180.0° | 180.0° |
| C31 | C04 | C03 | C02 | 0.2° | 0.0° |
| C04 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C04 | C03 | H1 | 179.8° | 179.9° |
| C04 | C31 | C32 | H27 | 179.9° | 179.9° |
| C03 | C04 | C31 | C32 | 0.3° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 179.9° |
| C04 | C03 | C02 | C33 | 0.0° | 0.1° |
| C04 | C03 | C02 | CL01 | 179.8° | 179.7° |
| C03 | C04 | C31 | H26 | 179.7° | 180.0° |
| N11 | C12 | C13 | H7 | 122.4° | 120.0° |
| N11 | C12 | C13 | C14 | 60.7° | 65.0° |
| N11 | C12 | C13 | H8 | 59.9° | 55.0° |
| N11 | C12 | C13 | H9 | 178.8° | 175.0° |
| C12 | C13 | C14 | H8 | 120.6° | 119.9° |
| C12 | C13 | C14 | H9 | 120.6° | 120.1° |
| C12 | C13 | C14 | C16 | 56.8° | 65.1° |
| C12 | C13 | C14 | C15 | 178.8° | 175.0° |
| C12 | C13 | H8 | H9 | 118.3° | 120.0° |
| C12 | C13 | C14 | H10 | 59.7° | 55.0° |
| C13 | C12 | N11 | H29 | 7.5° | 95.0° |
| C31 | C32 | C33 | H27 | 180.0° | 179.9° |
| C31 | C32 | C33 | C02 | 0.2° | 0.0° |
| C31 | C32 | C33 | H28 | 179.8° | 179.7° |
| C03 | C02 | C33 | C32 | 0.3° | 0.1° |
| C03 | C02 | C33 | CL01 | 179.8° | 179.6° |
| C03 | C02 | C33 | H28 | 179.7° | 179.7° |
| C13 | C14 | C16 | C15 | 127.0° | 120.0° |
| C13 | C14 | C16 | H10 | 116.2° | 120.1° |
| C13 | C14 | C15 | H10 | 118.9° | 120.0° |
| C14 | C13 | C12 | H7 | 61.8° | 55.0° |
| C14 | C13 | H8 | H9 | 118.2° | 120.0° |
| C13 | C14 | C15 | H11 | 180.0° | 60.0° |
| C13 | C14 | C15 | H12 | 60.0° | 180.0° |
| C13 | C14 | C15 | H13 | 60.0° | 60.1° |
| C13 | C14 | C16 | H14 | 180.0° | 60.1° |
| C13 | C14 | C16 | H15 | 60.0° | 180.0° |
| C13 | C14 | C16 | H16 | 60.0° | 60.0° |
| C32 | C33 | C02 | H28 | 180.0° | 179.8° |
| C32 | C33 | C02 | CL01 | 180.0° | 179.7° |
| C33 | C32 | C31 | H26 | 179.9° | 180.0° |
| C33 | C02 | C03 | H1 | 179.9° | 180.0° |
| C02 | C33 | C32 | H27 | 179.8° | 179.9° |
| CL01 | C02 | C03 | H1 | 0.2° | 0.4° |
| CL01 | C02 | C33 | H28 | 0.1° | 0.0° |
| C16 | C14 | C15 | H10 | 116.8° | 120.0° |
| C16 | C14 | C13 | H8 | 177.4° | 175.0° |
| C16 | C14 | C13 | H9 | 63.8° | 55.0° |
| C16 | C14 | C15 | H11 | 55.7° | 60.0° |
| C16 | C14 | C15 | H12 | 175.7° | 60.0° |
| C16 | C14 | C15 | H13 | 64.2° | 180.0° |
| C14 | C16 | H14 | H15 | 120.0° | 120.0° |
| C14 | C16 | H14 | H16 | 120.0° | 120.1° |
| C14 | C16 | H15 | H16 | 120.0° | 120.1° |
| C15 | C14 | C13 | H8 | 58.3° | 55.0° |
| C15 | C14 | C13 | H9 | 60.6° | 65.0° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H13 | 120.0° | 120.0° |
| C14 | C15 | H12 | H13 | 120.0° | 119.9° |
| C15 | C14 | C16 | H14 | 53.0° | 180.0° |
| C15 | C14 | C16 | H15 | 67.0° | 60.0° |
| C15 | C14 | C16 | H16 | 173.0° | 60.0° |
| H2 | C06 | H3 | H4 | 120.0° | 120.0° |
| H7 | C12 | C13 | H8 | 177.7° | 175.0° |
| H7 | C12 | C13 | H9 | 58.8° | 65.0° |
| H7 | C12 | N11 | H29 | 129.0° | 145.0° |
| H8 | C13 | C14 | H10 | 60.9° | 64.9° |
| H9 | C13 | C14 | H10 | 179.8° | 175.1° |
| H10 | C14 | C15 | H11 | 61.1° | 180.0° |
| H10 | C14 | C15 | H12 | 58.9° | 60.0° |
| H10 | C14 | C15 | H13 | 179.0° | 59.9° |
| H10 | C14 | C16 | H14 | 63.8° | 60.0° |
| H10 | C14 | C16 | H15 | 176.2° | 59.9° |
| H10 | C14 | C16 | H16 | 56.2° | 180.0° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H14 | C16 | H15 | H16 | 120.0° | 119.9° |
| H17 | C19 | C20 | H18 | 57.9° | 175.0° |
| H17 | C19 | C20 | H19 | 177.1° | 65.0° |
| H17 | C19 | C27 | H25 | 60.4° | 54.9° |
| H17 | C19 | N18 | H30 | 170.4° | 145.1° |
| H18 | C20 | C21 | H20 | 179.7° | 174.3° |
| H19 | C20 | C21 | H20 | 61.0° | 65.7° |
| H20 | C21 | C25 | H23 | 15.4° | 98.2° |
| H20 | C21 | C25 | H24 | 136.5° | 25.5° |
| H21 | C24 | C25 | H23 | 14.0° | 24.6° |
| H21 | C24 | C25 | H24 | 135.1° | 148.3° |
| H21 | C24 | N23 | H31 | 70.3° | 78.1° |
| H22 | C24 | C25 | H23 | 106.6° | 97.4° |
| H22 | C24 | C25 | H24 | 14.5° | 26.4° |
| H22 | C24 | N23 | H31 | 50.3° | 44.0° |
| H25 | C27 | O28 | H33 | 59.7° | 180.0° |
| H25 | C27 | S2 | O1 | 76.0° | 65.0° |
| H25 | C27 | S2 | O2 | 156.1° | 176.7° |
| H25 | C27 | S2 | O3 | 156.1° | 46.6° |
| H26 | C31 | C32 | H27 | 0.1° | 0.1° |
| H27 | C32 | C33 | H28 | 0.2° | 0.3° |
| O1 | S2 | O2 | O3 | 90.0° | 116.8° |
| O2 | S2 | O1 | H34 | 105.5° | 63.9° |
| O3 | S2 | O1 | H34 | 105.5° | 63.9° |
