WGU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C26 | doub | 1.21Å | 1.24Å | |
| C11 | C09 | sing | 1.53Å | 1.55Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C26 | N27 | sing | 1.34Å | 1.38Å | |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C09 | C12 | sing | 1.53Å | 1.60Å | |
| C09 | O08 | sing | 1.43Å | 1.45Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| O34 | C14 | doub | 1.21Å | 1.23Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | O13 | sing | 1.45Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C29 | sing | 1.55Å | 1.54Å | |
| O08 | C07 | sing | 1.36Å | 1.41Å | |
| O13 | C14 | sing | 1.35Å | 1.38Å | |
| C07 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.35Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.35Å | 1.38Å | |
| C28 | C29 | sing | 1.54Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| S2 | C31 | sing | 1.81Å | 1.82Å | |
| N15 | C16 | sing | 1.47Å | 1.50Å | |
| N22 | C23 | sing | 1.46Å | 1.47Å | |
| N22 | C21 | sing | 1.35Å | 1.37Å | |
| C16 | C21 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C23 | C31 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C21 | O33 | doub | 1.21Å | 1.24Å | |
| C31 | O32 | sing | 1.43Å | 1.42Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | 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 | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C06 | H24 | sing | 1.08Å | 1.08Å | |
| C05 | H25 | sing | 1.08Å | 1.08Å | |
| C04 | H26 | sing | 1.08Å | 1.08Å | |
| C03 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| N15 | H33 | sing | 0.97Å | 1.00Å | |
| N22 | H34 | sing | 0.97Å | 1.00Å | |
| N27 | H35 | sing | 0.97Å | 1.00Å | |
| O32 | H36 | sing | 0.97Å | 0.95Å | |
| S2 | O1 | doub | 1.42Å | 1.81Å | |
| S2 | O2 | doub | 1.42Å | 33.79Å | |
| S2 | O3 | sing | 1.52Å | 33.79Å | |
| O3 | H19 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C26 | N27 | 122.3° | 124.9° |
| O30 | C26 | C25 | 125.6° | 124.9° |
| C11 | C09 | C10 | 111.4° | 109.4° |
| C11 | C09 | C12 | 107.8° | 109.5° |
| C11 | C09 | O08 | 107.3° | 109.5° |
| C09 | C11 | H4 | 109.5° | 109.4° |
| C09 | C11 | H5 | 109.5° | 109.5° |
| C09 | C11 | H6 | 109.5° | 109.5° |
| C10 | C09 | C12 | 106.7° | 109.5° |
| C10 | C09 | O08 | 112.7° | 109.5° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.4° |
| N27 | C26 | C25 | 112.1° | 110.2° |
| C26 | N27 | C28 | 110.4° | 111.3° |
| C26 | N27 | H35 | 124.8° | 124.4° |
| C26 | C25 | C24 | 110.6° | 110.5° |
| C26 | C25 | C29 | 101.6° | 104.1° |
| C26 | C25 | H23 | 110.7° | 110.6° |
| C12 | C09 | O08 | 110.9° | 109.5° |
| C09 | C12 | O13 | 113.3° | 109.5° |
| C09 | C12 | H7 | 108.5° | 109.5° |
| C09 | C12 | H8 | 108.5° | 109.4° |
| C09 | O08 | C07 | 123.4° | 117.0° |
| N27 | C28 | C29 | 104.4° | 105.5° |
| N27 | C28 | H28 | 110.7° | 110.2° |
| N27 | C28 | H29 | 110.7° | 110.3° |
| C28 | N27 | H35 | 124.8° | 124.4° |
| O34 | C14 | O13 | 118.1° | 120.0° |
| O34 | C14 | N15 | 120.4° | 120.0° |
| C06 | C05 | C02 | 118.3° | 120.0° |
| C05 | C06 | C07 | 122.1° | 120.0° |
| C05 | C06 | H24 | 118.9° | 119.9° |
| C06 | C05 | H25 | 120.9° | 120.0° |
| C05 | C02 | F01 | 119.1° | 120.0° |
| C05 | C02 | C03 | 122.0° | 120.0° |
| C02 | C05 | H25 | 120.8° | 120.0° |
| C06 | C07 | O08 | 122.3° | 120.0° |
| C06 | C07 | C04 | 117.0° | 120.0° |
| C07 | C06 | H24 | 119.0° | 120.1° |
| C12 | O13 | C14 | 120.3° | 117.0° |
| O13 | C12 | H7 | 108.5° | 109.5° |
| O13 | C12 | H8 | 108.5° | 109.5° |
| C24 | C25 | C29 | 113.1° | 110.5° |
| C25 | C24 | C23 | 111.9° | 109.5° |
| C25 | C24 | H21 | 108.8° | 109.5° |
| C25 | C24 | H22 | 108.9° | 109.5° |
| C24 | C25 | H23 | 110.4° | 110.5° |
| C25 | C29 | C28 | 106.1° | 101.8° |
| C29 | C25 | H23 | 110.1° | 110.5° |
| C25 | C29 | H30 | 110.3° | 111.0° |
| C25 | C29 | H31 | 110.3° | 110.9° |
| O08 | C07 | C04 | 120.7° | 120.0° |
| O13 | C14 | N15 | 121.6° | 120.0° |
| C07 | C04 | C03 | 122.4° | 119.9° |
| C07 | C04 | H26 | 118.8° | 120.0° |
| F01 | C02 | C03 | 118.8° | 120.0° |
| C02 | C03 | C04 | 118.2° | 120.1° |
| C02 | C03 | H27 | 120.9° | 120.0° |
| C14 | N15 | C16 | 121.3° | 119.9° |
| C14 | N15 | H33 | 119.3° | 120.0° |
| C29 | C28 | H28 | 110.7° | 110.2° |
| C29 | C28 | H29 | 110.7° | 110.3° |
| C28 | C29 | H30 | 110.3° | 111.0° |
| C28 | C29 | H31 | 110.3° | 111.0° |
| C24 | C23 | N22 | 110.0° | 109.5° |
| C24 | C23 | C31 | 112.5° | 109.5° |
| C24 | C23 | H20 | 107.9° | 109.5° |
| C23 | C24 | H21 | 108.9° | 109.5° |
| C23 | C24 | H22 | 108.9° | 109.5° |
| C20 | C18 | C17 | 110.9° | 109.4° |
| C20 | C18 | C19 | 110.2° | 109.5° |
| C20 | C18 | H12 | 107.6° | 109.5° |
| C18 | C20 | H16 | 109.5° | 109.5° |
| C18 | C20 | H17 | 109.4° | 109.4° |
| C18 | C20 | H18 | 109.4° | 109.5° |
| C03 | C04 | H26 | 118.8° | 120.1° |
| C04 | C03 | H27 | 120.9° | 120.0° |
| S2 | C31 | C23 | 111.2° | 109.5° |
| S2 | C31 | O32 | 113.8° | 109.5° |
| S2 | C31 | H32 | 105.1° | 109.4° |
| C31 | S2 | O1 | 101.4° | 110.5° |
| C31 | S2 | O2 | 136.1° | 110.5° |
| C31 | S2 | O3 | 136.1° | 104.5° |
| N15 | C16 | C21 | 109.9° | 109.4° |
| N15 | C16 | C17 | 111.1° | 109.5° |
| N15 | C16 | H9 | 108.9° | 109.5° |
| C16 | N15 | H33 | 119.4° | 120.0° |
| C23 | N22 | C21 | 125.3° | 120.0° |
| N22 | C23 | C31 | 109.2° | 109.4° |
| N22 | C23 | H20 | 109.0° | 109.5° |
| C23 | N22 | H34 | 117.3° | 120.0° |
| N22 | C21 | C16 | 122.9° | 120.0° |
| N22 | C21 | O33 | 118.9° | 119.9° |
| C21 | N22 | H34 | 117.3° | 120.0° |
| C21 | C16 | C17 | 110.2° | 109.4° |
| C16 | C21 | O33 | 118.2° | 120.1° |
| C21 | C16 | H9 | 108.2° | 109.5° |
| C16 | C17 | C18 | 114.7° | 109.4° |
| C17 | C16 | H9 | 108.4° | 109.5° |
| C16 | C17 | H10 | 108.2° | 109.5° |
| C16 | C17 | H11 | 108.2° | 109.5° |
| C23 | C31 | O32 | 109.2° | 109.5° |
| C31 | C23 | H20 | 108.1° | 109.4° |
| C23 | C31 | H32 | 107.8° | 109.4° |
| C17 | C18 | C19 | 113.1° | 109.5° |
| C18 | C17 | H10 | 108.1° | 109.4° |
| C18 | C17 | H11 | 108.1° | 109.5° |
| C17 | C18 | H12 | 107.5° | 109.5° |
| C19 | C18 | H12 | 107.3° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.4° | 109.5° |
| C18 | C19 | H15 | 109.4° | 109.5° |
| O32 | C31 | H32 | 109.5° | 109.5° |
| C31 | O32 | H36 | 109.5° | 113.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H6 | 109.4° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H15 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 109.5° |
| H16 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.4° |
| H28 | C28 | H29 | 109.5° | 110.2° |
| H30 | C29 | H31 | 109.5° | 110.9° |
| O1 | S2 | O2 | 84.5° | 121.0° |
| O1 | S2 | O3 | 84.5° | 104.3° |
| O2 | S2 | O3 | 0.0° | 104.3° |
| S2 | O3 | H19 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C26 | N27 | C25 | 180.0° | 180.0° |
| O30 | C26 | N27 | C28 | 180.0° | 179.5° |
| O30 | C26 | C25 | C24 | 45.8° | 45.1° |
| O30 | C26 | C25 | C29 | 166.1° | 163.8° |
| O30 | C26 | C25 | H23 | 76.9° | 77.5° |
| O30 | C26 | N27 | H35 | 0.0° | 0.4° |
| C11 | C09 | C10 | C12 | 117.4° | 120.0° |
| C11 | C09 | C10 | O08 | 120.6° | 120.0° |
| C11 | C09 | C12 | O08 | 117.2° | 120.0° |
| C11 | C09 | C12 | O13 | 57.1° | 60.0° |
| C11 | C09 | O08 | C07 | 16.9° | 56.3° |
| C11 | C09 | C10 | H1 | 180.0° | 45.9° |
| C11 | C09 | C10 | H2 | 60.0° | 74.1° |
| C11 | C09 | C10 | H3 | 60.0° | 165.9° |
| C09 | C11 | H4 | H5 | 120.0° | 120.0° |
| C09 | C11 | H4 | H6 | 120.0° | 120.0° |
| C09 | C11 | H5 | H6 | 120.0° | 120.1° |
| C11 | C09 | C12 | H7 | 177.6° | 180.0° |
| C11 | C09 | C12 | H8 | 63.4° | 60.0° |
| C10 | C09 | C12 | O08 | 123.1° | 120.0° |
| C10 | C09 | C12 | O13 | 176.8° | 60.0° |
| C10 | C09 | O08 | C07 | 106.1° | 63.7° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 119.9° |
| C10 | C09 | C11 | H4 | 180.0° | 169.2° |
| C10 | C09 | C11 | H5 | 60.0° | 70.8° |
| C10 | C09 | C11 | H6 | 60.0° | 49.3° |
| C10 | C09 | C12 | H7 | 62.6° | 60.1° |
| C10 | C09 | C12 | H8 | 56.3° | 180.0° |
| C26 | N27 | C28 | H35 | 180.0° | 179.9° |
| N27 | C26 | C25 | C24 | 134.2° | 134.9° |
| N27 | C26 | C25 | C29 | 13.9° | 16.2° |
| C26 | N27 | C28 | C29 | 14.1° | 17.1° |
| N27 | C26 | C25 | H23 | 103.1° | 102.5° |
| C26 | N27 | C28 | H28 | 105.1° | 136.0° |
| C26 | N27 | C28 | H29 | 133.3° | 102.0° |
| C25 | C26 | N27 | C28 | 0.0° | 0.5° |
| C26 | C25 | C24 | C29 | 113.3° | 114.7° |
| C26 | C25 | C24 | H23 | 122.9° | 122.8° |
| C26 | C25 | C29 | H23 | 117.4° | 118.8° |
| C26 | C25 | C29 | C28 | 21.7° | 24.8° |
| C26 | C25 | C24 | C23 | 177.0° | 179.5° |
| C26 | C25 | C24 | H21 | 56.7° | 60.5° |
| C26 | C25 | C24 | H22 | 62.6° | 59.4° |
| C26 | C25 | C29 | H30 | 97.8° | 93.3° |
| C26 | C25 | C29 | H31 | 141.2° | 142.9° |
| C25 | C26 | N27 | H35 | 180.0° | 179.6° |
| C09 | C12 | O13 | H7 | 120.6° | 120.0° |
| C09 | C12 | O13 | H8 | 120.6° | 120.0° |
| C12 | C09 | O08 | C07 | 134.4° | 176.3° |
| C09 | C12 | O13 | C14 | 160.7° | 180.0° |
| C12 | C09 | C10 | H1 | 62.6° | 74.0° |
| C12 | C09 | C10 | H2 | 177.4° | 165.9° |
| C12 | C09 | C10 | H3 | 57.4° | 45.9° |
| C12 | C09 | C11 | H4 | 63.3° | 49.2° |
| C12 | C09 | C11 | H5 | 56.7° | 169.3° |
| C12 | C09 | C11 | H6 | 176.7° | 70.7° |
| C09 | C12 | H7 | H8 | 118.3° | 119.9° |
| C09 | O08 | C07 | C06 | 75.8° | 4.8° |
| O08 | C09 | C12 | O13 | 60.1° | 180.0° |
| C09 | O08 | C07 | C04 | 103.0° | 174.9° |
| O08 | C09 | C10 | H1 | 59.4° | 165.9° |
| O08 | C09 | C10 | H2 | 60.6° | 45.8° |
| O08 | C09 | C10 | H3 | 179.4° | 74.1° |
| O08 | C09 | C11 | H4 | 56.2° | 70.8° |
| O08 | C09 | C11 | H5 | 176.3° | 49.2° |
| O08 | C09 | C11 | H6 | 63.7° | 169.3° |
| O08 | C09 | C12 | H7 | 60.4° | 60.0° |
| O08 | C09 | C12 | H8 | 179.4° | 60.0° |
| N27 | C28 | C29 | C25 | 22.4° | 25.5° |
| N27 | C28 | C29 | H28 | 119.2° | 118.9° |
| N27 | C28 | C29 | H29 | 119.2° | 119.1° |
| N27 | C28 | H28 | H29 | 122.3° | 122.0° |
| N27 | C28 | C29 | H30 | 97.1° | 92.7° |
| N27 | C28 | C29 | H31 | 141.8° | 143.6° |
| O34 | C14 | O13 | C12 | 25.9° | 0.0° |
| O34 | C14 | O13 | N15 | 178.9° | 180.0° |
| O34 | C14 | N15 | C16 | 5.9° | 5.0° |
| O34 | C14 | N15 | H33 | 174.1° | 175.0° |
| C06 | C05 | C02 | H25 | 180.0° | 180.0° |
| C05 | C06 | C07 | H24 | 180.0° | 180.0° |
| C05 | C06 | C07 | O08 | 179.3° | 179.7° |
| C05 | C06 | C07 | C04 | 0.4° | 0.0° |
| C06 | C05 | C02 | F01 | 179.9° | 180.0° |
| C06 | C05 | C02 | C03 | 0.1° | 0.0° |
| C02 | C05 | C06 | C07 | 0.2° | 0.0° |
| C05 | C02 | F01 | C03 | 179.9° | 180.0° |
| C05 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C05 | C06 | H24 | 179.8° | 180.0° |
| C05 | C02 | C03 | H27 | 179.8° | 180.0° |
| C06 | C07 | O08 | C04 | 178.8° | 179.7° |
| C06 | C07 | C04 | C03 | 0.6° | 0.0° |
| C07 | C06 | C05 | H25 | 179.8° | 180.0° |
| C06 | C07 | C04 | H26 | 179.5° | 180.0° |
| C12 | O13 | C14 | N15 | 152.9° | 180.0° |
| O13 | C12 | H7 | H8 | 118.2° | 120.0° |
| C24 | C25 | C29 | H23 | 124.0° | 122.5° |
| C24 | C25 | C29 | C28 | 140.3° | 143.5° |
| C25 | C24 | C23 | H21 | 120.3° | 120.0° |
| C25 | C24 | C23 | H22 | 120.4° | 120.1° |
| C25 | C24 | C23 | N22 | 62.9° | 61.7° |
| C25 | C24 | C23 | C31 | 175.1° | 178.3° |
| C25 | C24 | C23 | H20 | 55.9° | 58.4° |
| C25 | C24 | H21 | H22 | 118.9° | 120.0° |
| C24 | C25 | C29 | H30 | 20.9° | 25.3° |
| C24 | C25 | C29 | H31 | 100.2° | 98.4° |
| C25 | C29 | C28 | H30 | 119.5° | 118.1° |
| C25 | C29 | C28 | H31 | 119.5° | 118.1° |
| C29 | C25 | C24 | C23 | 63.8° | 64.8° |
| C29 | C25 | C24 | H21 | 56.6° | 175.2° |
| C29 | C25 | C24 | H22 | 175.9° | 55.3° |
| C25 | C29 | C28 | H28 | 96.8° | 144.4° |
| C25 | C29 | C28 | H29 | 141.5° | 93.7° |
| C25 | C29 | H30 | H31 | 121.6° | 123.8° |
| O08 | C07 | C04 | C03 | 179.4° | 179.7° |
| O08 | C07 | C06 | H24 | 0.7° | 0.3° |
| O08 | C07 | C04 | H26 | 0.6° | 0.3° |
| O13 | C14 | N15 | C16 | 172.9° | 175.0° |
| C14 | O13 | C12 | H7 | 78.7° | 60.0° |
| C14 | O13 | C12 | H8 | 40.2° | 60.0° |
| O13 | C14 | N15 | H33 | 7.1° | 5.0° |
| C07 | C04 | C03 | C02 | 0.4° | 0.0° |
| C07 | C04 | C03 | H26 | 180.0° | 180.0° |
| C04 | C07 | C06 | H24 | 179.6° | 180.0° |
| C07 | C04 | C03 | H27 | 179.6° | 180.0° |
| F01 | C02 | C03 | C04 | 180.0° | 180.0° |
| F01 | C02 | C05 | H25 | 0.1° | 0.0° |
| F01 | C02 | C03 | H27 | 0.0° | 0.0° |
| C02 | C03 | C04 | H27 | 180.0° | 180.0° |
| C03 | C02 | C05 | H25 | 179.9° | 180.0° |
| C02 | C03 | C04 | H26 | 179.6° | 180.0° |
| C14 | N15 | C16 | H33 | 180.0° | 180.0° |
| C14 | N15 | C16 | C21 | 71.3° | 151.4° |
| C14 | N15 | C16 | C17 | 166.4° | 88.7° |
| C14 | N15 | C16 | H9 | 47.1° | 31.4° |
| C28 | C29 | C25 | H23 | 95.7° | 94.0° |
| C29 | C28 | H28 | H29 | 122.4° | 122.0° |
| C28 | C29 | H30 | H31 | 121.5° | 123.8° |
| C29 | C28 | N27 | H35 | 165.9° | 163.0° |
| C24 | C23 | C31 | S2 | 61.7° | 65.7° |
| C24 | C23 | N22 | C31 | 123.9° | 120.0° |
| C24 | C23 | N22 | H20 | 118.2° | 120.0° |
| C24 | C23 | N22 | C21 | 136.0° | 148.3° |
| C24 | C23 | C31 | H20 | 119.1° | 120.0° |
| C24 | C23 | C31 | O32 | 64.7° | 174.3° |
| C23 | C24 | H21 | H22 | 118.9° | 120.0° |
| C23 | C24 | C25 | H23 | 60.1° | 57.8° |
| C24 | C23 | C31 | H32 | 176.4° | 54.2° |
| C24 | C23 | N22 | H34 | 44.1° | 31.6° |
| C20 | C18 | C17 | C16 | 54.7° | 175.7° |
| C20 | C18 | C17 | C19 | 124.4° | 120.0° |
| C20 | C18 | C17 | H12 | 117.3° | 120.0° |
| C20 | C18 | C19 | H12 | 116.9° | 120.0° |
| C20 | C18 | C17 | H10 | 175.5° | 64.4° |
| C20 | C18 | C17 | H11 | 66.0° | 55.6° |
| C20 | C18 | C19 | H13 | 180.0° | 56.0° |
| C20 | C18 | C19 | H14 | 60.0° | 64.0° |
| C20 | C18 | C19 | H15 | 60.0° | 176.0° |
| C18 | C20 | H16 | H17 | 120.0° | 120.0° |
| C18 | C20 | H16 | H18 | 120.0° | 120.0° |
| C18 | C20 | H17 | H18 | 120.0° | 120.0° |
| S2 | C31 | C23 | N22 | 60.7° | 174.3° |
| S2 | C31 | C23 | O32 | 126.4° | 120.0° |
| S2 | C31 | C23 | H32 | 114.7° | 119.9° |
| S2 | C31 | O32 | H32 | 117.3° | 120.0° |
| S2 | C31 | C23 | H20 | 179.2° | 54.3° |
| S2 | C31 | O32 | H36 | 180.0° | 180.0° |
| C31 | S2 | O1 | O2 | 136.0° | 131.5° |
| C31 | S2 | O1 | O3 | 136.0° | 111.8° |
| C31 | S2 | O2 | O3 | 90.0° | 111.8° |
| C31 | S2 | O3 | H19 | 90.0° | 180.0° |
| N15 | C16 | C21 | N22 | 118.9° | 156.8° |
| N15 | C16 | C21 | C17 | 122.8° | 120.0° |
| N15 | C16 | C21 | H9 | 118.8° | 120.0° |
| N15 | C16 | C17 | H9 | 119.6° | 120.0° |
| N15 | C16 | C17 | C18 | 65.9° | 175.5° |
| N15 | C16 | C21 | O33 | 59.5° | 23.1° |
| N15 | C16 | C17 | H10 | 54.9° | 55.5° |
| N15 | C16 | C17 | H11 | 173.4° | 64.5° |
| C23 | N22 | C21 | H34 | 180.0° | 179.9° |
| C23 | N22 | C21 | C16 | 179.9° | 174.7° |
| N22 | C23 | C31 | H20 | 118.5° | 120.0° |
| C23 | N22 | C21 | O33 | 1.7° | 5.3° |
| N22 | C23 | C31 | O32 | 172.9° | 54.3° |
| N22 | C23 | C24 | H21 | 176.7° | 58.3° |
| N22 | C23 | C24 | H22 | 57.4° | 178.2° |
| N22 | C23 | C31 | H32 | 54.0° | 65.8° |
| N22 | C21 | C16 | O33 | 178.4° | 180.0° |
| N22 | C21 | C16 | C17 | 118.3° | 83.2° |
| C21 | N22 | C23 | C31 | 100.1° | 91.7° |
| N22 | C21 | C16 | H9 | 0.1° | 36.8° |
| C21 | N22 | C23 | H20 | 17.8° | 28.3° |
| C21 | C16 | C17 | H9 | 118.3° | 120.0° |
| C21 | C16 | C17 | C18 | 172.0° | 64.6° |
| C21 | C16 | C17 | H10 | 67.2° | 175.5° |
| C21 | C16 | C17 | H11 | 51.2° | 55.4° |
| C21 | C16 | N15 | H33 | 108.7° | 28.6° |
| C16 | C21 | N22 | H34 | 0.0° | 5.2° |
| C16 | C17 | C18 | H10 | 120.8° | 119.9° |
| C16 | C17 | C18 | H11 | 120.8° | 120.1° |
| C16 | C17 | C18 | C19 | 179.1° | 64.3° |
| C17 | C16 | C21 | O33 | 63.3° | 96.8° |
| C16 | C17 | H10 | H11 | 117.7° | 120.1° |
| C16 | C17 | C18 | H12 | 62.6° | 55.7° |
| C17 | C16 | N15 | H33 | 13.6° | 91.3° |
| C23 | C31 | O32 | H32 | 117.9° | 120.0° |
| C31 | C23 | C24 | H21 | 54.7° | 61.7° |
| C31 | C23 | C24 | H22 | 64.6° | 58.3° |
| C31 | C23 | N22 | H34 | 79.9° | 88.4° |
| C23 | C31 | O32 | H36 | 55.1° | 60.0° |
| C23 | C31 | S2 | O1 | 166.6° | 178.3° |
| C23 | C31 | S2 | O2 | 72.6° | 45.0° |
| C23 | C31 | S2 | O3 | 72.6° | 66.6° |
| C17 | C18 | C19 | H12 | 118.3° | 120.0° |
| C18 | C17 | C16 | H9 | 53.7° | 55.4° |
| C18 | C17 | H10 | H11 | 117.6° | 120.0° |
| C17 | C18 | C19 | H13 | 55.2° | 63.9° |
| C17 | C18 | C19 | H14 | 64.8° | 176.1° |
| C17 | C18 | C19 | H15 | 175.2° | 56.0° |
| C17 | C18 | C20 | H16 | 180.0° | 60.0° |
| C17 | C18 | C20 | H17 | 60.0° | 180.0° |
| C17 | C18 | C20 | H18 | 60.0° | 60.1° |
| C19 | C18 | C17 | H10 | 60.1° | 55.6° |
| C19 | C18 | C17 | H11 | 58.4° | 175.6° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C19 | C18 | C20 | H16 | 54.0° | 180.0° |
| C19 | C18 | C20 | H17 | 66.0° | 60.0° |
| C19 | C18 | C20 | H18 | 174.0° | 60.0° |
| O33 | C21 | C16 | H9 | 178.3° | 143.2° |
| O33 | C21 | N22 | H34 | 178.4° | 174.8° |
| O32 | C31 | C23 | H20 | 54.4° | 65.7° |
| O32 | C31 | S2 | O1 | 42.8° | 61.7° |
| O32 | C31 | S2 | O2 | 51.2° | 75.0° |
| O32 | C31 | S2 | O3 | 51.2° | 173.4° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C11 | H5 | H6 | 120.0° | 119.9° |
| H9 | C16 | C17 | H10 | 174.5° | 64.5° |
| H9 | C16 | C17 | H11 | 67.0° | 175.4° |
| H9 | C16 | N15 | H33 | 132.9° | 148.6° |
| H10 | C17 | C18 | H12 | 58.2° | 175.6° |
| H11 | C17 | C18 | H12 | 176.6° | 64.4° |
| H12 | C18 | C19 | H13 | 63.1° | 176.1° |
| H12 | C18 | C19 | H14 | 176.9° | 56.0° |
| H12 | C18 | C19 | H15 | 56.9° | 64.0° |
| H12 | C18 | C20 | H16 | 62.8° | 60.0° |
| H12 | C18 | C20 | H17 | 177.3° | 60.0° |
| H12 | C18 | C20 | H18 | 57.3° | 180.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C20 | H17 | H18 | 120.0° | 120.0° |
| H20 | C23 | C24 | H21 | 64.4° | 178.3° |
| H20 | C23 | C24 | H22 | 176.3° | 61.7° |
| H20 | C23 | C31 | H32 | 64.5° | 174.2° |
| H20 | C23 | N22 | H34 | 162.2° | 151.6° |
| H21 | C24 | C25 | H23 | 179.6° | 62.2° |
| H22 | C24 | C25 | H23 | 60.3° | 177.8° |
| H23 | C25 | C29 | H30 | 144.9° | 147.9° |
| H23 | C25 | C29 | H31 | 23.8° | 24.1° |
| H24 | C06 | C05 | H25 | 0.2° | 0.0° |
| H26 | C04 | C03 | H27 | 0.4° | 0.0° |
| H28 | C28 | C29 | H30 | 143.7° | 26.3° |
| H28 | C28 | C29 | H31 | 22.7° | 97.5° |
| H28 | C28 | N27 | H35 | 74.9° | 44.1° |
| H29 | C28 | C29 | H30 | 22.1° | 148.2° |
| H29 | C28 | C29 | H31 | 99.0° | 24.4° |
| H29 | C28 | N27 | H35 | 46.7° | 77.9° |
| H32 | C31 | O32 | H36 | 62.8° | 60.0° |
| H32 | C31 | S2 | O1 | 77.0° | 58.3° |
| H32 | C31 | S2 | O2 | 171.0° | 164.9° |
| H32 | C31 | S2 | O3 | 171.0° | 53.3° |
| O1 | S2 | O2 | O3 | 90.0° | 116.8° |
| O1 | S2 | O3 | H19 | 90.0° | 63.9° |
| O2 | S2 | O3 | H19 | 90.0° | 64.0° |
