WF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C26 | doub | 1.21Å | 1.22Å | |
| C26 | N27 | sing | 1.34Å | 1.59Å | |
| C26 | C25 | sing | 1.51Å | 1.34Å | |
| S2 | C31 | sing | 1.81Å | 1.81Å | |
| N27 | C28 | sing | 1.47Å | 1.57Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.58Å | |
| C25 | C29 | sing | 1.55Å | 1.66Å | |
| O32 | C31 | sing | 1.43Å | 1.45Å | |
| C31 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | N22 | sing | 1.46Å | 1.44Å | |
| C28 | C29 | sing | 1.54Å | 1.33Å | |
| N22 | C21 | sing | 1.35Å | 1.47Å | |
| O34 | C14 | doub | 1.21Å | 1.20Å | |
| C21 | C16 | sing | 1.51Å | 1.53Å | |
| C21 | O33 | doub | 1.21Å | 1.20Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.48Å | |
| C14 | N15 | sing | 1.35Å | 1.46Å | |
| C14 | O13 | sing | 1.35Å | 1.46Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | sing | 1.45Å | 1.41Å | |
| C12 | C09 | sing | 1.53Å | 1.60Å | |
| C11 | C09 | sing | 1.53Å | 1.52Å | |
| O08 | C09 | sing | 1.43Å | 1.47Å | |
| O08 | C07 | sing | 1.36Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.58Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C04 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.39Å | 1.43Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.43Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.79Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | 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 | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C03 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| N15 | H32 | sing | 0.97Å | 1.00Å | |
| N22 | H33 | sing | 0.97Å | 1.00Å | |
| N27 | H34 | sing | 0.97Å | 1.00Å | |
| O32 | H35 | sing | 0.97Å | 0.95Å | |
| S2 | O1 | doub | 1.42Å | 1.81Å | |
| S2 | O2 | sing | 1.52Å | 20.50Å | |
| S2 | O3 | doub | 1.42Å | 20.50Å | |
| O2 | H36 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C26 | N27 | 124.4° | 125.0° |
| O30 | C26 | C25 | 128.8° | 124.9° |
| N27 | C26 | C25 | 106.8° | 110.1° |
| C26 | N27 | C28 | 105.1° | 111.3° |
| C26 | N27 | H34 | 127.4° | 124.4° |
| C26 | C25 | C24 | 111.4° | 110.5° |
| C26 | C25 | C29 | 106.2° | 104.1° |
| C26 | C25 | H29 | 112.5° | 110.5° |
| S2 | C31 | O32 | 110.7° | 109.5° |
| S2 | C31 | C23 | 108.2° | 109.5° |
| S2 | C31 | H25 | 105.7° | 109.5° |
| C31 | S2 | O1 | 102.6° | 110.6° |
| C31 | S2 | O2 | 113.2° | 104.4° |
| C31 | S2 | O3 | 113.2° | 110.6° |
| N27 | C28 | C29 | 105.0° | 105.4° |
| N27 | C28 | H30 | 110.6° | 110.3° |
| N27 | C28 | H31 | 110.6° | 110.3° |
| C28 | N27 | H34 | 127.4° | 124.3° |
| C25 | C24 | C23 | 118.1° | 109.4° |
| C24 | C25 | C29 | 109.2° | 110.5° |
| C25 | C24 | H21 | 107.3° | 109.5° |
| C25 | C24 | H22 | 107.3° | 109.5° |
| C24 | C25 | H29 | 109.3° | 110.5° |
| C24 | C23 | C31 | 116.4° | 109.5° |
| C24 | C23 | N22 | 106.2° | 109.5° |
| C24 | C23 | H20 | 108.9° | 109.5° |
| C23 | C24 | H21 | 107.3° | 109.5° |
| C23 | C24 | H22 | 107.2° | 109.5° |
| C25 | C29 | C28 | 106.0° | 101.8° |
| C25 | C29 | H23 | 110.3° | 111.0° |
| C25 | C29 | H24 | 110.3° | 111.0° |
| C29 | C25 | H29 | 108.0° | 110.6° |
| O32 | C31 | C23 | 113.9° | 109.5° |
| O32 | C31 | H25 | 109.7° | 109.5° |
| C31 | O32 | H35 | 109.5° | 113.9° |
| C31 | C23 | N22 | 105.2° | 109.5° |
| C31 | C23 | H20 | 109.2° | 109.4° |
| C23 | C31 | H25 | 108.3° | 109.4° |
| C23 | N22 | C21 | 119.7° | 120.0° |
| N22 | C23 | H20 | 110.9° | 109.5° |
| C23 | N22 | H33 | 120.2° | 120.0° |
| C28 | C29 | H23 | 110.3° | 111.0° |
| C28 | C29 | H24 | 110.3° | 111.0° |
| C29 | C28 | H30 | 110.6° | 110.3° |
| C29 | C28 | H31 | 110.6° | 110.2° |
| N22 | C21 | C16 | 117.6° | 120.0° |
| N22 | C21 | O33 | 120.2° | 120.0° |
| C21 | N22 | H33 | 120.1° | 120.0° |
| O34 | C14 | N15 | 123.8° | 120.1° |
| O34 | C14 | O13 | 121.0° | 120.0° |
| C16 | C21 | O33 | 122.2° | 120.0° |
| C21 | C16 | N15 | 105.8° | 109.4° |
| C21 | C16 | C17 | 110.0° | 109.5° |
| C21 | C16 | H12 | 109.2° | 109.5° |
| N15 | C16 | C17 | 111.6° | 109.5° |
| C16 | N15 | C14 | 117.8° | 119.9° |
| N15 | C16 | H12 | 110.4° | 109.5° |
| C16 | N15 | H32 | 121.1° | 120.0° |
| C16 | C17 | C18 | 112.1° | 109.5° |
| C17 | C16 | H12 | 109.8° | 109.5° |
| C16 | C17 | H27 | 108.8° | 109.5° |
| C16 | C17 | H28 | 108.8° | 109.4° |
| N15 | C14 | O13 | 115.3° | 119.9° |
| C14 | N15 | H32 | 121.1° | 120.0° |
| C14 | O13 | C12 | 118.0° | 117.0° |
| C20 | C18 | C17 | 108.7° | 109.5° |
| C20 | C18 | C19 | 110.9° | 109.5° |
| C20 | C18 | H13 | 109.1° | 109.5° |
| C18 | C20 | H17 | 109.5° | 109.5° |
| C18 | C20 | H18 | 109.5° | 109.4° |
| C18 | C20 | H19 | 109.5° | 109.5° |
| O13 | C12 | C09 | 103.6° | 109.5° |
| O13 | C12 | H10 | 110.9° | 109.5° |
| O13 | C12 | H11 | 110.9° | 109.4° |
| C12 | C09 | C11 | 110.3° | 109.4° |
| C12 | C09 | O08 | 103.7° | 109.5° |
| C12 | C09 | C10 | 108.2° | 109.5° |
| C09 | C12 | H10 | 110.9° | 109.5° |
| C09 | C12 | H11 | 110.9° | 109.5° |
| C11 | C09 | O08 | 112.2° | 109.4° |
| C11 | C09 | C10 | 109.8° | 109.5° |
| C09 | C11 | H7 | 109.5° | 109.5° |
| C09 | C11 | H8 | 109.5° | 109.5° |
| C09 | C11 | H9 | 109.4° | 109.5° |
| C09 | O08 | C07 | 119.5° | 117.0° |
| O08 | C09 | C10 | 112.4° | 109.5° |
| O08 | C07 | C04 | 118.7° | 120.1° |
| O08 | C07 | C06 | 120.6° | 120.0° |
| C17 | C18 | C19 | 110.9° | 109.4° |
| C17 | C18 | H13 | 108.4° | 109.5° |
| C18 | C17 | H27 | 108.8° | 109.5° |
| C18 | C17 | H28 | 108.8° | 109.4° |
| C09 | C10 | H4 | 109.5° | 109.5° |
| C09 | C10 | H5 | 109.4° | 109.4° |
| C09 | C10 | H6 | 109.5° | 109.5° |
| C07 | C04 | C03 | 119.2° | 120.0° |
| C04 | C07 | C06 | 120.6° | 119.9° |
| C07 | C04 | H1 | 120.4° | 120.0° |
| C04 | C03 | C02 | 120.4° | 120.0° |
| C03 | C04 | H1 | 120.4° | 120.0° |
| C04 | C03 | H26 | 119.8° | 120.0° |
| C19 | C18 | H13 | 108.9° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.4° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.4° | 109.5° |
| C07 | C06 | C05 | 120.0° | 119.9° |
| C07 | C06 | H3 | 120.0° | 120.0° |
| C03 | C02 | C05 | 120.1° | 120.1° |
| C03 | C02 | CL01 | 120.3° | 120.0° |
| C02 | C03 | H26 | 119.8° | 120.0° |
| C06 | C05 | C02 | 119.7° | 120.0° |
| C06 | C05 | H2 | 120.1° | 120.0° |
| C05 | C06 | H3 | 120.0° | 120.0° |
| C05 | C02 | CL01 | 119.6° | 119.9° |
| C02 | C05 | H2 | 120.2° | 120.0° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.4° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 110.8° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 110.2° |
| O1 | S2 | O2 | 68.3° | 104.2° |
| O1 | S2 | O3 | 68.3° | 121.1° |
| O2 | S2 | O3 | 0.0° | 104.3° |
| S2 | O2 | H36 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C26 | N27 | C25 | 179.2° | 179.8° |
| O30 | C26 | N27 | C28 | 179.6° | 179.8° |
| O30 | C26 | C25 | C24 | 43.4° | 77.9° |
| O30 | C26 | C25 | C29 | 162.2° | 163.5° |
| O30 | C26 | C25 | H29 | 79.8° | 44.7° |
| O30 | C26 | N27 | H34 | 0.4° | 0.3° |
| C26 | N27 | C28 | H34 | 180.0° | 179.9° |
| N27 | C26 | C25 | C24 | 135.8° | 102.4° |
| N27 | C26 | C25 | C29 | 17.0° | 16.3° |
| C26 | N27 | C28 | C29 | 22.0° | 17.0° |
| N27 | C26 | C25 | H29 | 101.0° | 135.0° |
| C26 | N27 | C28 | H30 | 97.3° | 102.0° |
| C26 | N27 | C28 | H31 | 141.3° | 136.0° |
| C25 | C26 | N27 | C28 | 0.4° | 0.4° |
| C26 | C25 | C24 | C29 | 117.0° | 114.7° |
| C26 | C25 | C24 | H29 | 125.0° | 122.6° |
| C26 | C25 | C24 | C23 | 179.6° | 66.5° |
| C26 | C25 | C29 | H29 | 121.0° | 118.7° |
| C26 | C25 | C29 | C28 | 33.1° | 24.8° |
| C26 | C25 | C24 | H21 | 58.3° | 53.5° |
| C26 | C25 | C24 | H22 | 59.2° | 173.5° |
| C26 | C25 | C29 | H23 | 86.4° | 143.0° |
| C26 | C25 | C29 | H24 | 152.5° | 93.4° |
| C25 | C26 | N27 | H34 | 179.6° | 179.5° |
| S2 | C31 | C23 | C24 | 56.7° | 65.0° |
| S2 | C31 | O32 | C23 | 122.2° | 120.0° |
| S2 | C31 | O32 | H25 | 116.3° | 120.0° |
| S2 | C31 | C23 | H25 | 114.1° | 120.0° |
| S2 | C31 | C23 | N22 | 60.5° | 55.0° |
| S2 | C31 | C23 | H20 | 179.6° | 175.0° |
| S2 | C31 | O32 | H35 | 26.1° | 60.0° |
| C31 | S2 | O1 | O2 | 110.2° | 111.7° |
| C31 | S2 | O1 | O3 | 110.2° | 131.6° |
| C31 | S2 | O2 | O3 | 90.0° | 116.1° |
| C31 | S2 | O2 | H36 | 90.0° | 180.0° |
| N27 | C28 | C29 | C25 | 31.4° | 25.4° |
| N27 | C28 | C29 | H30 | 119.3° | 119.0° |
| N27 | C28 | C29 | H31 | 119.3° | 119.1° |
| N27 | C28 | C29 | H23 | 88.1° | 143.6° |
| N27 | C28 | C29 | H24 | 150.8° | 92.7° |
| N27 | C28 | H30 | H31 | 122.1° | 122.0° |
| C25 | C24 | C23 | H21 | 121.2° | 120.0° |
| C25 | C24 | C23 | H22 | 121.2° | 120.0° |
| C24 | C25 | C29 | H29 | 118.8° | 122.6° |
| C25 | C24 | C23 | C31 | 176.7° | 175.0° |
| C25 | C24 | C23 | N22 | 66.7° | 65.0° |
| C24 | C25 | C29 | C28 | 153.4° | 93.8° |
| C25 | C24 | C23 | H20 | 52.8° | 55.0° |
| C25 | C24 | H21 | H22 | 116.1° | 120.0° |
| C24 | C25 | C29 | H23 | 33.9° | 24.3° |
| C24 | C25 | C29 | H24 | 87.2° | 148.0° |
| C23 | C24 | C25 | C29 | 62.6° | 178.8° |
| C24 | C23 | C31 | O32 | 66.9° | 55.0° |
| C24 | C23 | C31 | N22 | 117.2° | 120.0° |
| C24 | C23 | C31 | H20 | 123.7° | 120.0° |
| C24 | C23 | N22 | H20 | 118.2° | 120.1° |
| C24 | C23 | N22 | C21 | 116.5° | 155.0° |
| C23 | C24 | H21 | H22 | 116.0° | 120.0° |
| C24 | C23 | C31 | H25 | 170.8° | 175.0° |
| C23 | C24 | C25 | H29 | 55.4° | 56.1° |
| C24 | C23 | N22 | H33 | 63.5° | 25.0° |
| C25 | C29 | C28 | H23 | 119.5° | 118.2° |
| C25 | C29 | C28 | H24 | 119.4° | 118.2° |
| C29 | C25 | C24 | H21 | 58.7° | 61.2° |
| C29 | C25 | C24 | H22 | 176.2° | 58.8° |
| C25 | C29 | H23 | H24 | 121.6° | 123.7° |
| C25 | C29 | C28 | H30 | 87.9° | 93.6° |
| C25 | C29 | C28 | H31 | 150.7° | 144.5° |
| O32 | C31 | C23 | H25 | 122.3° | 120.0° |
| O32 | C31 | C23 | N22 | 175.9° | 175.1° |
| O32 | C31 | C23 | H20 | 56.8° | 65.0° |
| O32 | C31 | S2 | O1 | 44.0° | 166.6° |
| O32 | C31 | S2 | O2 | 27.6° | 55.0° |
| O32 | C31 | S2 | O3 | 27.6° | 56.6° |
| C31 | C23 | N22 | H20 | 117.9° | 120.0° |
| C31 | C23 | N22 | C21 | 119.6° | 85.0° |
| C31 | C23 | C24 | H21 | 55.4° | 65.0° |
| C31 | C23 | C24 | H22 | 62.1° | 55.0° |
| C31 | C23 | N22 | H33 | 60.4° | 95.0° |
| C23 | C31 | O32 | H35 | 148.3° | 60.0° |
| C23 | C31 | S2 | O1 | 169.4° | 73.4° |
| C23 | C31 | S2 | O2 | 97.8° | 175.0° |
| C23 | C31 | S2 | O3 | 97.8° | 63.4° |
| C23 | N22 | C21 | H33 | 180.0° | 179.9° |
| C23 | N22 | C21 | C16 | 179.6° | 174.0° |
| C23 | N22 | C21 | O33 | 0.4° | 6.0° |
| N22 | C23 | C24 | H21 | 172.1° | 54.9° |
| N22 | C23 | C24 | H22 | 54.6° | 175.0° |
| N22 | C23 | C31 | H25 | 53.6° | 65.0° |
| C28 | C29 | H23 | H24 | 121.6° | 123.8° |
| C28 | C29 | C25 | H29 | 87.9° | 143.5° |
| C29 | C28 | H30 | H31 | 122.1° | 121.9° |
| C29 | C28 | N27 | H34 | 158.0° | 162.9° |
| N22 | C21 | C16 | O33 | 180.0° | 179.9° |
| N22 | C21 | C16 | N15 | 139.8° | 164.6° |
| N22 | C21 | C16 | C17 | 99.6° | 75.4° |
| N22 | C21 | C16 | H12 | 20.9° | 44.6° |
| C21 | N22 | C23 | H20 | 1.7° | 34.9° |
| O34 | C14 | N15 | C16 | 3.2° | 5.0° |
| O34 | C14 | N15 | O13 | 179.7° | 180.0° |
| O34 | C14 | O13 | C12 | 8.1° | 0.0° |
| O34 | C14 | N15 | H32 | 176.7° | 175.0° |
| C21 | C16 | N15 | C17 | 119.6° | 120.0° |
| C21 | C16 | N15 | H12 | 118.0° | 120.0° |
| C21 | C16 | C17 | H12 | 120.1° | 120.0° |
| C21 | C16 | N15 | C14 | 74.4° | 151.4° |
| C21 | C16 | C17 | C18 | 175.2° | 69.6° |
| C21 | C16 | C17 | H27 | 54.8° | 170.4° |
| C21 | C16 | C17 | H28 | 64.4° | 50.4° |
| C21 | C16 | N15 | H32 | 105.5° | 28.6° |
| C16 | C21 | N22 | H33 | 0.4° | 5.9° |
| O33 | C21 | C16 | N15 | 40.2° | 15.5° |
| O33 | C21 | C16 | C17 | 80.4° | 104.5° |
| O33 | C21 | C16 | H12 | 159.1° | 135.5° |
| O33 | C21 | N22 | H33 | 179.6° | 174.0° |
| N15 | C16 | C17 | H12 | 122.8° | 120.0° |
| C16 | N15 | C14 | H32 | 180.0° | 180.0° |
| C16 | N15 | C14 | O13 | 177.1° | 175.0° |
| N15 | C16 | C17 | C18 | 58.1° | 170.5° |
| N15 | C16 | C17 | H27 | 62.3° | 50.4° |
| N15 | C16 | C17 | H28 | 178.5° | 69.6° |
| C17 | C16 | N15 | C14 | 166.0° | 88.6° |
| C16 | C17 | C18 | C20 | 60.5° | 173.0° |
| C16 | C17 | C18 | H27 | 120.4° | 120.1° |
| C16 | C17 | C18 | H28 | 120.4° | 119.9° |
| C16 | C17 | C18 | C19 | 177.4° | 67.1° |
| C16 | C17 | C18 | H13 | 58.0° | 52.9° |
| C16 | C17 | H27 | H28 | 118.8° | 120.0° |
| C17 | C16 | N15 | H32 | 14.0° | 91.5° |
| N15 | C14 | O13 | C12 | 171.6° | 180.0° |
| C14 | N15 | C16 | H12 | 43.6° | 31.4° |
| C14 | O13 | C12 | C09 | 104.6° | 180.0° |
| C14 | O13 | C12 | H10 | 136.3° | 60.0° |
| C14 | O13 | C12 | H11 | 14.5° | 60.0° |
| O13 | C14 | N15 | H32 | 3.0° | 4.9° |
| C20 | C18 | C17 | C19 | 122.1° | 120.0° |
| C20 | C18 | C17 | H13 | 118.5° | 120.1° |
| C20 | C18 | C19 | H13 | 120.0° | 120.0° |
| C20 | C18 | C19 | H14 | 180.0° | 63.9° |
| C20 | C18 | C19 | H15 | 60.0° | 176.1° |
| C20 | C18 | C19 | H16 | 60.0° | 56.0° |
| C18 | C20 | H17 | H18 | 120.0° | 119.9° |
| C18 | C20 | H17 | H19 | 120.0° | 120.0° |
| C18 | C20 | H18 | H19 | 120.0° | 120.0° |
| C20 | C18 | C17 | H27 | 179.2° | 67.0° |
| C20 | C18 | C17 | H28 | 59.9° | 53.0° |
| O13 | C12 | C09 | H10 | 119.1° | 120.0° |
| O13 | C12 | C09 | H11 | 119.1° | 120.0° |
| O13 | C12 | C09 | C11 | 177.1° | 60.0° |
| O13 | C12 | C09 | O08 | 62.6° | 180.0° |
| O13 | C12 | C09 | C10 | 56.9° | 60.0° |
| O13 | C12 | H10 | H11 | 122.7° | 120.0° |
| C12 | C09 | C11 | O08 | 115.1° | 120.0° |
| C12 | C09 | C11 | C10 | 119.2° | 120.0° |
| C12 | C09 | O08 | C10 | 116.7° | 120.0° |
| C12 | C09 | O08 | C07 | 143.8° | 177.1° |
| C12 | C09 | C10 | H4 | 180.0° | 164.6° |
| C12 | C09 | C10 | H5 | 60.0° | 44.6° |
| C12 | C09 | C10 | H6 | 60.0° | 75.4° |
| C12 | C09 | C11 | H7 | 180.0° | 61.8° |
| C12 | C09 | C11 | H8 | 60.0° | 178.2° |
| C12 | C09 | C11 | H9 | 60.0° | 58.2° |
| C09 | C12 | H10 | H11 | 122.7° | 120.0° |
| C11 | C09 | O08 | C10 | 124.3° | 120.0° |
| C11 | C09 | O08 | C07 | 97.2° | 57.1° |
| C11 | C09 | C10 | H4 | 59.6° | 75.5° |
| C11 | C09 | C10 | H5 | 179.5° | 164.6° |
| C11 | C09 | C10 | H6 | 60.5° | 44.6° |
| C09 | C11 | H7 | H8 | 120.0° | 120.0° |
| C09 | C11 | H7 | H9 | 120.0° | 120.0° |
| C09 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | C09 | C12 | H10 | 58.0° | 180.0° |
| C11 | C09 | C12 | H11 | 63.9° | 60.0° |
| C09 | O08 | C07 | C04 | 91.4° | 175.1° |
| C09 | O08 | C07 | C06 | 91.1° | 4.6° |
| O08 | C09 | C10 | H4 | 66.1° | 44.5° |
| O08 | C09 | C10 | H5 | 53.9° | 75.4° |
| O08 | C09 | C10 | H6 | 173.9° | 164.6° |
| O08 | C09 | C11 | H7 | 64.9° | 58.2° |
| O08 | C09 | C11 | H8 | 175.1° | 61.8° |
| O08 | C09 | C11 | H9 | 55.1° | 178.2° |
| O08 | C09 | C12 | H10 | 178.3° | 60.0° |
| O08 | C09 | C12 | H11 | 56.4° | 60.0° |
| C07 | O08 | C09 | C10 | 27.1° | 62.9° |
| O08 | C07 | C04 | C06 | 177.5° | 179.7° |
| O08 | C07 | C04 | C03 | 179.1° | 180.0° |
| O08 | C07 | C06 | C05 | 179.2° | 179.7° |
| O08 | C07 | C04 | H1 | 0.9° | 0.3° |
| O08 | C07 | C06 | H3 | 0.8° | 0.2° |
| C17 | C18 | C19 | H13 | 119.2° | 120.0° |
| C18 | C17 | C16 | H12 | 64.7° | 50.5° |
| C17 | C18 | C19 | H14 | 59.2° | 176.1° |
| C17 | C18 | C19 | H15 | 60.8° | 56.1° |
| C17 | C18 | C19 | H16 | 179.2° | 64.0° |
| C17 | C18 | C20 | H17 | 180.0° | 59.9° |
| C17 | C18 | C20 | H18 | 60.0° | 60.0° |
| C17 | C18 | C20 | H19 | 60.0° | 180.0° |
| C18 | C17 | H27 | H28 | 118.8° | 120.0° |
| C09 | C10 | H4 | H5 | 120.0° | 119.9° |
| C09 | C10 | H4 | H6 | 120.0° | 120.1° |
| C09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | C09 | C11 | H7 | 60.8° | 178.2° |
| C10 | C09 | C11 | H8 | 59.2° | 58.2° |
| C10 | C09 | C11 | H9 | 179.2° | 61.8° |
| C10 | C09 | C12 | H10 | 62.2° | 60.0° |
| C10 | C09 | C12 | H11 | 176.0° | 179.9° |
| C07 | C04 | C03 | H1 | 180.0° | 179.7° |
| C07 | C04 | C03 | C02 | 0.4° | 0.5° |
| C04 | C07 | C06 | C05 | 1.7° | 0.0° |
| C04 | C07 | C06 | H3 | 178.3° | 179.9° |
| C07 | C04 | C03 | H26 | 179.6° | 179.9° |
| C03 | C04 | C07 | C06 | 1.6° | 0.3° |
| C04 | C03 | C02 | H26 | 180.0° | 179.5° |
| C04 | C03 | C02 | C05 | 0.6° | 0.5° |
| C04 | C03 | C02 | CL01 | 179.9° | 179.8° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H16 | 120.0° | 120.1° |
| C19 | C18 | C20 | H17 | 57.9° | 60.0° |
| C19 | C18 | C20 | H18 | 62.1° | 179.9° |
| C19 | C18 | C20 | H19 | 177.9° | 60.1° |
| C19 | C18 | C17 | H27 | 57.1° | 53.0° |
| C19 | C18 | C17 | H28 | 62.1° | 173.0° |
| C07 | C06 | C05 | H3 | 180.0° | 179.9° |
| C07 | C06 | C05 | C02 | 0.6° | 0.0° |
| C06 | C07 | C04 | H1 | 178.4° | 180.0° |
| C07 | C06 | C05 | H2 | 179.4° | 180.0° |
| C03 | C02 | C05 | C06 | 0.5° | 0.3° |
| C03 | C02 | C05 | CL01 | 179.5° | 179.7° |
| C02 | C03 | C04 | H1 | 179.6° | 179.7° |
| C03 | C02 | C05 | H2 | 179.5° | 179.7° |
| C06 | C05 | C02 | H2 | 180.0° | 180.0° |
| C06 | C05 | C02 | CL01 | 180.0° | 180.0° |
| C02 | C05 | C06 | H3 | 179.4° | 179.9° |
| C05 | C02 | C03 | H26 | 179.4° | 180.0° |
| CL01 | C02 | C05 | H2 | 0.0° | 0.0° |
| CL01 | C02 | C03 | H26 | 0.1° | 0.3° |
| H1 | C04 | C03 | H26 | 0.4° | 0.2° |
| H2 | C05 | C06 | H3 | 0.6° | 0.1° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H12 | C16 | C17 | H27 | 175.0° | 69.6° |
| H12 | C16 | C17 | H28 | 55.7° | 170.4° |
| H12 | C16 | N15 | H32 | 136.4° | 148.5° |
| H13 | C18 | C19 | H14 | 60.0° | 56.1° |
| H13 | C18 | C19 | H15 | 180.0° | 63.9° |
| H13 | C18 | C19 | H16 | 60.0° | 176.1° |
| H13 | C18 | C20 | H17 | 62.0° | 180.0° |
| H13 | C18 | C20 | H18 | 178.0° | 60.1° |
| H13 | C18 | C20 | H19 | 58.1° | 59.9° |
| H13 | C18 | C17 | H27 | 62.4° | 173.0° |
| H13 | C18 | C17 | H28 | 178.4° | 67.1° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C20 | H18 | H19 | 120.0° | 120.0° |
| H20 | C23 | C24 | H21 | 68.4° | 175.0° |
| H20 | C23 | C24 | H22 | 174.0° | 65.0° |
| H20 | C23 | C31 | H25 | 65.5° | 55.0° |
| H20 | C23 | N22 | H33 | 178.3° | 145.0° |
| H21 | C24 | C25 | H29 | 176.7° | 176.1° |
| H22 | C24 | C25 | H29 | 65.8° | 63.9° |
| H23 | C29 | C25 | H29 | 152.6° | 98.3° |
| H23 | C29 | C28 | H30 | 152.6° | 24.6° |
| H23 | C29 | C28 | H31 | 31.2° | 97.4° |
| H24 | C29 | C25 | H29 | 31.6° | 25.3° |
| H24 | C29 | C28 | H30 | 31.5° | 148.2° |
| H24 | C29 | C28 | H31 | 89.9° | 26.3° |
| H25 | C31 | O32 | H35 | 90.2° | 179.9° |
| H25 | C31 | S2 | O1 | 74.8° | 46.6° |
| H25 | C31 | S2 | O2 | 146.4° | 65.0° |
| H25 | C31 | S2 | O3 | 146.4° | 176.6° |
| H30 | C28 | N27 | H34 | 82.7° | 78.1° |
| H31 | C28 | N27 | H34 | 38.8° | 43.9° |
| O1 | S2 | O2 | O3 | 90.0° | 127.8° |
| O1 | S2 | O2 | H36 | 90.0° | 63.9° |
| O3 | S2 | O2 | H36 | 90.0° | 63.9° |
