WGO
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 | 1.51Å | |
| C26 | N27 | sing | 1.34Å | 1.39Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C09 | C12 | sing | 1.53Å | 1.59Å | |
| C09 | O08 | sing | 1.43Å | 1.45Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| O34 | C14 | doub | 1.22Å | 1.24Å | |
| C12 | O13 | sing | 1.45Å | 1.42Å | |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| O13 | C14 | sing | 1.35Å | 1.37Å | |
| C14 | N15 | sing | 1.35Å | 1.37Å | |
| O08 | C07 | sing | 1.36Å | 1.41Å | |
| C07 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C29 | sing | 1.55Å | 1.54Å | |
| C02 | F01 | sing | 1.35Å | 1.35Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.54Å | 1.53Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.58Å | |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| N15 | C16 | sing | 1.46Å | 1.50Å | |
| S2 | C31 | sing | 1.81Å | 1.80Å | |
| C16 | C21 | sing | 1.51Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| N22 | C21 | sing | 1.35Å | 1.38Å | |
| N22 | C23 | sing | 1.46Å | 1.48Å | |
| C21 | O33 | doub | 1.21Å | 1.25Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C23 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | O32 | sing | 1.43Å | 1.43Å | |
| C23 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C03 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| 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 | H15 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C26 | N27 | 122.5° | 125.0° |
| O30 | C26 | C25 | 125.4° | 124.9° |
| C11 | C09 | C10 | 111.6° | 109.5° |
| C11 | C09 | C12 | 108.2° | 109.5° |
| C11 | C09 | O08 | 107.2° | 109.5° |
| C09 | C11 | H5 | 109.5° | 109.5° |
| C09 | C11 | H6 | 109.5° | 109.5° |
| C09 | C11 | H7 | 109.5° | 109.5° |
| C10 | C09 | C12 | 105.5° | 109.5° |
| C10 | C09 | O08 | 113.1° | 109.5° |
| C09 | C10 | H9 | 109.5° | 109.5° |
| C09 | C10 | H10 | 109.5° | 109.5° |
| C09 | C10 | H11 | 109.5° | 109.5° |
| N27 | C26 | C25 | 112.1° | 110.1° |
| C26 | N27 | C28 | 110.7° | 111.3° |
| C26 | N27 | H35 | 124.7° | 124.3° |
| C26 | C25 | C24 | 110.7° | 110.5° |
| C26 | C25 | C29 | 102.6° | 104.2° |
| C26 | C25 | H4 | 110.6° | 110.6° |
| C12 | C09 | O08 | 111.2° | 109.5° |
| C09 | C12 | O13 | 112.8° | 109.5° |
| C09 | C12 | H16 | 108.6° | 109.5° |
| C09 | C12 | H17 | 108.6° | 109.5° |
| C09 | O08 | C07 | 123.6° | 117.0° |
| N27 | C28 | C29 | 105.3° | 105.5° |
| N27 | C28 | H28 | 110.5° | 110.2° |
| N27 | C28 | H29 | 110.5° | 110.3° |
| C28 | N27 | H35 | 124.6° | 124.4° |
| O34 | C14 | O13 | 118.2° | 120.0° |
| O34 | C14 | N15 | 121.9° | 120.0° |
| C12 | O13 | C14 | 119.8° | 117.0° |
| O13 | C12 | H16 | 108.6° | 109.5° |
| O13 | C12 | H17 | 108.6° | 109.5° |
| C05 | C06 | C07 | 122.1° | 120.0° |
| C06 | C05 | C02 | 118.4° | 120.0° |
| C05 | C06 | H8 | 118.9° | 120.0° |
| C06 | C05 | H12 | 120.8° | 119.9° |
| C06 | C07 | O08 | 122.1° | 120.0° |
| C06 | C07 | C04 | 117.0° | 120.0° |
| C07 | C06 | H8 | 118.9° | 120.0° |
| C05 | C02 | F01 | 119.2° | 120.0° |
| C05 | C02 | C03 | 121.9° | 120.0° |
| C02 | C05 | H12 | 120.8° | 120.0° |
| O13 | C14 | N15 | 119.9° | 120.0° |
| C14 | N15 | C16 | 122.1° | 120.0° |
| C14 | N15 | H33 | 119.0° | 120.0° |
| O08 | C07 | C04 | 120.8° | 120.0° |
| C07 | C04 | C03 | 122.3° | 119.9° |
| C07 | C04 | H13 | 118.8° | 120.1° |
| C24 | C25 | C29 | 112.0° | 110.5° |
| C25 | C24 | C23 | 113.9° | 109.5° |
| C25 | C24 | H2 | 108.4° | 109.5° |
| C25 | C24 | H3 | 108.3° | 109.5° |
| C24 | C25 | H4 | 110.4° | 110.5° |
| C25 | C29 | C28 | 107.0° | 101.7° |
| C29 | C25 | H4 | 110.3° | 110.5° |
| C25 | C29 | H30 | 110.1° | 111.0° |
| C25 | C29 | H31 | 110.1° | 111.0° |
| F01 | C02 | C03 | 118.8° | 120.0° |
| C02 | C03 | C04 | 118.2° | 120.0° |
| C02 | C03 | H14 | 120.9° | 120.0° |
| C29 | C28 | H28 | 110.5° | 110.3° |
| C29 | C28 | H29 | 110.5° | 110.3° |
| C28 | C29 | H30 | 110.1° | 110.9° |
| C28 | C29 | H31 | 110.1° | 111.0° |
| C20 | C18 | C17 | 111.1° | 109.5° |
| C20 | C18 | C19 | 110.1° | 109.5° |
| C20 | C18 | H21 | 107.6° | 109.5° |
| C18 | C20 | H25 | 109.5° | 109.5° |
| C18 | C20 | H26 | 109.4° | 109.5° |
| C18 | C20 | H27 | 109.4° | 109.5° |
| C24 | C23 | N22 | 108.3° | 109.5° |
| C24 | C23 | C31 | 111.2° | 109.5° |
| C24 | C23 | H1 | 108.5° | 109.5° |
| C23 | C24 | H2 | 108.4° | 109.4° |
| C23 | C24 | H3 | 108.4° | 109.5° |
| C03 | C04 | H13 | 118.9° | 120.0° |
| C04 | C03 | H14 | 120.9° | 119.9° |
| N15 | C16 | C21 | 110.5° | 109.5° |
| N15 | C16 | C17 | 111.1° | 109.5° |
| N15 | C16 | H18 | 109.3° | 109.5° |
| C16 | N15 | H33 | 119.0° | 120.0° |
| S2 | C31 | C23 | 107.7° | 109.5° |
| S2 | C31 | O32 | 107.8° | 109.5° |
| S2 | C31 | H32 | 108.6° | 109.5° |
| C31 | S2 | O1 | 96.1° | 110.5° |
| C31 | S2 | O2 | 134.4° | 110.6° |
| C31 | S2 | O3 | 134.4° | 104.5° |
| C21 | C16 | C17 | 108.9° | 109.5° |
| C16 | C21 | N22 | 121.9° | 120.0° |
| C16 | C21 | O33 | 118.2° | 120.0° |
| C21 | C16 | H18 | 108.4° | 109.4° |
| C16 | C17 | C18 | 115.5° | 109.5° |
| C17 | C16 | H18 | 108.7° | 109.5° |
| C16 | C17 | H19 | 108.0° | 109.5° |
| C16 | C17 | H20 | 107.9° | 109.5° |
| C21 | N22 | C23 | 126.0° | 120.0° |
| N22 | C21 | O33 | 119.8° | 120.0° |
| C21 | N22 | H34 | 117.0° | 120.0° |
| N22 | C23 | C31 | 110.0° | 109.5° |
| N22 | C23 | H1 | 109.8° | 109.4° |
| C23 | N22 | H34 | 117.0° | 120.0° |
| C17 | C18 | C19 | 113.1° | 109.5° |
| C18 | C17 | H19 | 107.9° | 109.5° |
| C18 | C17 | H20 | 108.0° | 109.5° |
| C17 | C18 | H21 | 107.5° | 109.5° |
| C19 | C18 | H21 | 107.3° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C18 | C19 | H23 | 109.4° | 109.4° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C23 | C31 | O32 | 106.8° | 109.4° |
| C31 | C23 | H1 | 109.1° | 109.5° |
| C23 | C31 | H32 | 112.0° | 109.5° |
| O32 | C31 | H32 | 113.6° | 109.5° |
| C31 | O32 | H36 | 109.5° | 114.0° |
| H2 | C24 | H3 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.4° | 109.4° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H22 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H25 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| 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 | H15 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C26 | N27 | C25 | 179.8° | 180.0° |
| O30 | C26 | N27 | C28 | 179.8° | 179.6° |
| O30 | C26 | C25 | C24 | 51.4° | 45.1° |
| O30 | C26 | C25 | C29 | 171.1° | 163.8° |
| O30 | C26 | C25 | H4 | 71.3° | 77.5° |
| O30 | C26 | N27 | H35 | 0.2° | 0.4° |
| C11 | C09 | C10 | C12 | 117.3° | 120.0° |
| C11 | C09 | C10 | O08 | 121.0° | 120.0° |
| C11 | C09 | C12 | O08 | 117.5° | 120.0° |
| C11 | C09 | C12 | O13 | 54.6° | 60.0° |
| C11 | C09 | O08 | C07 | 18.0° | 64.1° |
| C09 | C11 | H5 | H6 | 120.0° | 120.0° |
| C09 | C11 | H5 | H7 | 120.0° | 120.0° |
| C09 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C09 | C10 | H9 | 180.0° | 50.9° |
| C11 | C09 | C10 | H10 | 60.0° | 170.9° |
| C11 | C09 | C10 | H11 | 60.0° | 69.1° |
| C11 | C09 | C12 | H16 | 175.1° | 60.0° |
| C11 | C09 | C12 | H17 | 65.9° | 180.0° |
| C10 | C09 | C12 | O08 | 123.0° | 120.0° |
| C10 | C09 | C12 | O13 | 174.1° | 60.0° |
| C10 | C09 | O08 | C07 | 105.5° | 55.9° |
| C10 | C09 | C11 | H5 | 180.0° | 41.2° |
| C10 | C09 | C11 | H6 | 60.0° | 78.7° |
| C10 | C09 | C11 | H7 | 60.0° | 161.2° |
| C09 | C10 | H9 | H10 | 120.0° | 120.0° |
| C09 | C10 | H9 | H11 | 120.0° | 120.0° |
| C09 | C10 | H10 | H11 | 120.0° | 120.0° |
| C10 | C09 | C12 | H16 | 65.4° | 180.0° |
| C10 | C09 | C12 | H17 | 53.6° | 60.0° |
| C26 | N27 | C28 | H35 | 180.0° | 180.0° |
| N27 | C26 | C25 | C24 | 128.7° | 135.0° |
| N27 | C26 | C25 | C29 | 9.1° | 16.3° |
| C26 | N27 | C28 | C29 | 9.2° | 17.0° |
| N27 | C26 | C25 | H4 | 108.5° | 102.4° |
| C26 | N27 | C28 | H28 | 110.1° | 136.0° |
| C26 | N27 | C28 | H29 | 128.6° | 102.1° |
| C25 | C26 | N27 | C28 | 0.0° | 0.4° |
| C26 | C25 | C24 | C29 | 113.9° | 114.8° |
| C26 | C25 | C24 | H4 | 122.9° | 122.7° |
| C26 | C25 | C29 | H4 | 117.9° | 118.8° |
| C26 | C25 | C29 | C28 | 14.2° | 24.8° |
| C26 | C25 | C24 | C23 | 177.6° | 179.6° |
| C26 | C25 | C24 | H2 | 61.8° | 59.6° |
| C26 | C25 | C24 | H3 | 56.9° | 60.4° |
| C26 | C25 | C29 | H30 | 105.4° | 93.3° |
| C26 | C25 | C29 | H31 | 133.9° | 142.9° |
| C25 | C26 | N27 | H35 | 180.0° | 179.6° |
| C09 | C12 | O13 | H16 | 120.5° | 120.0° |
| C09 | C12 | O13 | H17 | 120.5° | 120.0° |
| C09 | C12 | O13 | C14 | 155.9° | 180.0° |
| C12 | C09 | O08 | C07 | 136.1° | 175.8° |
| C12 | C09 | C11 | H5 | 64.4° | 78.8° |
| C12 | C09 | C11 | H6 | 55.6° | 161.3° |
| C12 | C09 | C11 | H7 | 175.6° | 41.2° |
| C12 | C09 | C10 | H9 | 62.8° | 69.1° |
| C12 | C09 | C10 | H10 | 177.3° | 50.9° |
| C12 | C09 | C10 | H11 | 57.3° | 170.9° |
| C09 | C12 | H16 | H17 | 118.5° | 120.0° |
| O08 | C09 | C12 | O13 | 62.9° | 180.0° |
| C09 | O08 | C07 | C06 | 76.3° | 4.7° |
| C09 | O08 | C07 | C04 | 102.6° | 175.0° |
| O08 | C09 | C11 | H5 | 55.6° | 161.2° |
| O08 | C09 | C11 | H6 | 175.6° | 41.3° |
| O08 | C09 | C11 | H7 | 64.4° | 78.8° |
| O08 | C09 | C10 | H9 | 59.0° | 170.9° |
| O08 | C09 | C10 | H10 | 61.0° | 69.1° |
| O08 | C09 | C10 | H11 | 179.0° | 50.9° |
| O08 | C09 | C12 | H16 | 57.6° | 60.0° |
| O08 | C09 | C12 | H17 | 176.6° | 60.0° |
| N27 | C28 | C29 | C25 | 14.7° | 25.4° |
| N27 | C28 | C29 | H28 | 119.4° | 119.0° |
| N27 | C28 | C29 | H29 | 119.4° | 119.1° |
| N27 | C28 | H28 | H29 | 121.9° | 122.0° |
| N27 | C28 | C29 | H30 | 105.0° | 92.7° |
| N27 | C28 | C29 | H31 | 134.3° | 143.5° |
| O34 | C14 | O13 | C12 | 8.5° | 0.0° |
| O34 | C14 | O13 | N15 | 179.5° | 180.0° |
| O34 | C14 | N15 | C16 | 16.2° | 0.0° |
| O34 | C14 | N15 | H33 | 163.8° | 180.0° |
| C12 | O13 | C14 | N15 | 170.9° | 180.0° |
| O13 | C12 | H16 | H17 | 118.5° | 120.0° |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C06 | C05 | C02 | H12 | 180.0° | 179.9° |
| C05 | C06 | C07 | O08 | 179.2° | 179.7° |
| C05 | C06 | C07 | C04 | 0.3° | 0.0° |
| C06 | C05 | C02 | F01 | 179.8° | 179.9° |
| C06 | C05 | C02 | C03 | 0.0° | 0.0° |
| C07 | C06 | C05 | C02 | 0.1° | 0.0° |
| C06 | C07 | O08 | C04 | 178.9° | 179.7° |
| C06 | C07 | C04 | C03 | 0.5° | 0.0° |
| C07 | C06 | C05 | H12 | 179.9° | 179.9° |
| C06 | C07 | C04 | H13 | 179.5° | 180.0° |
| C05 | C02 | F01 | C03 | 179.8° | 179.9° |
| C05 | C02 | C03 | C04 | 0.2° | 0.1° |
| C02 | C05 | C06 | H8 | 179.9° | 180.0° |
| C05 | C02 | C03 | H14 | 179.8° | 179.9° |
| O13 | C14 | N15 | C16 | 163.2° | 180.0° |
| C14 | O13 | C12 | H16 | 83.6° | 60.0° |
| C14 | O13 | C12 | H17 | 35.4° | 60.0° |
| O13 | C14 | N15 | H33 | 16.8° | 0.0° |
| C14 | N15 | C16 | H33 | 180.0° | 179.9° |
| C14 | N15 | C16 | C21 | 47.9° | 155.0° |
| C14 | N15 | C16 | C17 | 168.8° | 85.0° |
| C14 | N15 | C16 | H18 | 71.3° | 35.1° |
| O08 | C07 | C04 | C03 | 179.5° | 179.7° |
| O08 | C07 | C06 | H8 | 0.7° | 0.3° |
| O08 | C07 | C04 | H13 | 0.5° | 0.3° |
| C07 | C04 | C03 | C02 | 0.5° | 0.1° |
| C07 | C04 | C03 | H13 | 180.0° | 180.0° |
| C04 | C07 | C06 | H8 | 179.7° | 180.0° |
| C07 | C04 | C03 | H14 | 179.5° | 179.9° |
| C24 | C25 | C29 | H4 | 123.3° | 122.5° |
| C24 | C25 | C29 | C28 | 133.0° | 143.5° |
| C25 | C24 | C23 | H2 | 120.7° | 120.0° |
| C25 | C24 | C23 | H3 | 120.6° | 120.0° |
| C25 | C24 | C23 | N22 | 62.9° | 64.0° |
| C25 | C24 | C23 | C31 | 176.2° | 175.9° |
| C25 | C24 | C23 | H1 | 56.2° | 55.9° |
| C25 | C24 | H2 | H3 | 118.0° | 120.0° |
| C24 | C25 | C29 | H30 | 13.4° | 25.4° |
| C24 | C25 | C29 | H31 | 107.3° | 98.4° |
| C25 | C29 | C28 | H30 | 119.6° | 118.1° |
| C25 | C29 | C28 | H31 | 119.6° | 118.1° |
| C29 | C25 | C24 | C23 | 68.6° | 65.7° |
| C29 | C25 | C24 | H2 | 52.1° | 174.3° |
| C29 | C25 | C24 | H3 | 170.8° | 54.3° |
| C25 | C29 | C28 | H28 | 104.7° | 144.4° |
| C25 | C29 | C28 | H29 | 134.0° | 93.7° |
| C25 | C29 | H30 | H31 | 121.1° | 123.8° |
| F01 | C02 | C03 | C04 | 180.0° | 180.0° |
| F01 | C02 | C05 | H12 | 0.2° | 0.0° |
| F01 | C02 | C03 | H14 | 0.0° | 0.2° |
| C02 | C03 | C04 | H14 | 180.0° | 179.9° |
| C03 | C02 | C05 | H12 | 180.0° | 179.9° |
| C02 | C03 | C04 | H13 | 179.5° | 180.0° |
| C28 | C29 | C25 | H4 | 103.7° | 94.0° |
| C29 | C28 | H28 | H29 | 121.9° | 121.9° |
| C28 | C29 | H30 | H31 | 121.1° | 123.8° |
| C29 | C28 | N27 | H35 | 170.8° | 163.0° |
| C20 | C18 | C17 | C16 | 53.0° | 65.0° |
| C20 | C18 | C17 | C19 | 124.4° | 120.0° |
| C20 | C18 | C17 | H21 | 117.4° | 120.0° |
| C20 | C18 | C19 | H21 | 116.8° | 120.0° |
| C20 | C18 | C17 | H19 | 173.9° | 175.0° |
| C20 | C18 | C17 | H20 | 67.9° | 55.0° |
| C20 | C18 | C19 | H22 | 180.0° | 60.0° |
| C20 | C18 | C19 | H23 | 60.0° | 60.0° |
| C20 | C18 | C19 | H24 | 60.0° | 180.0° |
| C18 | C20 | H25 | H26 | 120.0° | 120.0° |
| C18 | C20 | H25 | H27 | 120.0° | 120.0° |
| C18 | C20 | H26 | H27 | 120.0° | 120.0° |
| C24 | C23 | C31 | S2 | 65.2° | 178.1° |
| C24 | C23 | N22 | C21 | 101.6° | 63.0° |
| C24 | C23 | N22 | C31 | 121.7° | 120.0° |
| C24 | C23 | N22 | H1 | 118.3° | 120.0° |
| C24 | C23 | C31 | H1 | 119.6° | 120.0° |
| C24 | C23 | C31 | O32 | 179.2° | 58.1° |
| C23 | C24 | H2 | H3 | 118.0° | 120.0° |
| C23 | C24 | C25 | H4 | 54.7° | 56.9° |
| C24 | C23 | C31 | H32 | 54.3° | 61.9° |
| C24 | C23 | N22 | H34 | 78.5° | 117.1° |
| N15 | C16 | C21 | C17 | 122.2° | 120.0° |
| N15 | C16 | C21 | H18 | 119.7° | 119.9° |
| N15 | C16 | C17 | H18 | 120.2° | 120.0° |
| N15 | C16 | C21 | N22 | 146.2° | 180.0° |
| N15 | C16 | C21 | O33 | 34.6° | 0.0° |
| N15 | C16 | C17 | C18 | 62.6° | 65.0° |
| N15 | C16 | C17 | H19 | 58.2° | 55.0° |
| N15 | C16 | C17 | H20 | 176.5° | 175.0° |
| S2 | C31 | C23 | N22 | 54.8° | 61.9° |
| S2 | C31 | C23 | O32 | 115.6° | 120.0° |
| S2 | C31 | C23 | H32 | 119.4° | 120.0° |
| S2 | C31 | O32 | H32 | 120.5° | 120.0° |
| S2 | C31 | C23 | H1 | 175.2° | 58.1° |
| S2 | C31 | O32 | H36 | 180.0° | 180.0° |
| C31 | S2 | O1 | O2 | 134.2° | 131.5° |
| C31 | S2 | O1 | O3 | 134.2° | 111.7° |
| C31 | S2 | O2 | O3 | 90.0° | 111.8° |
| C31 | S2 | O3 | H15 | 90.0° | 180.0° |
| C21 | C16 | C17 | H18 | 117.9° | 120.0° |
| C16 | C21 | N22 | O33 | 179.2° | 180.0° |
| C16 | C21 | N22 | C23 | 179.0° | 175.4° |
| C21 | C16 | C17 | C18 | 175.5° | 175.0° |
| C21 | C16 | C17 | H19 | 63.6° | 65.0° |
| C21 | C16 | C17 | H20 | 54.6° | 55.0° |
| C21 | C16 | N15 | H33 | 132.2° | 25.1° |
| C16 | C21 | N22 | H34 | 1.1° | 4.5° |
| C17 | C16 | C21 | N22 | 91.6° | 60.0° |
| C17 | C16 | C21 | O33 | 87.6° | 120.0° |
| C16 | C17 | C18 | H19 | 120.9° | 120.0° |
| C16 | C17 | C18 | H20 | 120.9° | 120.0° |
| C16 | C17 | C18 | C19 | 177.4° | 175.0° |
| C16 | C17 | H19 | H20 | 117.3° | 120.0° |
| C16 | C17 | C18 | H21 | 64.5° | 55.0° |
| C17 | C16 | N15 | H33 | 11.2° | 94.9° |
| C21 | N22 | C23 | H34 | 180.0° | 179.9° |
| C21 | N22 | C23 | C31 | 136.8° | 57.0° |
| C21 | N22 | C23 | H1 | 16.7° | 177.0° |
| N22 | C21 | C16 | H18 | 26.5° | 60.1° |
| C23 | N22 | C21 | O33 | 1.9° | 4.6° |
| N22 | C23 | C31 | H1 | 120.4° | 120.0° |
| N22 | C23 | C31 | O32 | 60.8° | 178.1° |
| N22 | C23 | C24 | H2 | 176.5° | 56.0° |
| N22 | C23 | C24 | H3 | 57.8° | 176.0° |
| N22 | C23 | C31 | H32 | 174.2° | 58.1° |
| O33 | C21 | C16 | H18 | 154.3° | 120.0° |
| O33 | C21 | N22 | H34 | 178.1° | 175.5° |
| C17 | C18 | C19 | H21 | 118.3° | 120.0° |
| C18 | C17 | C16 | H18 | 57.6° | 55.0° |
| C18 | C17 | H19 | H20 | 117.3° | 120.0° |
| C17 | C18 | C19 | H22 | 55.1° | 60.0° |
| C17 | C18 | C19 | H23 | 64.9° | 180.0° |
| C17 | C18 | C19 | H24 | 175.1° | 60.0° |
| C17 | C18 | C20 | H25 | 180.0° | 180.0° |
| C17 | C18 | C20 | H26 | 60.0° | 60.0° |
| C17 | C18 | C20 | H27 | 60.0° | 60.0° |
| C19 | C18 | C17 | H19 | 61.7° | 55.0° |
| C19 | C18 | C17 | H20 | 56.5° | 65.0° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C19 | C18 | C20 | H25 | 53.9° | 60.0° |
| C19 | C18 | C20 | H26 | 66.1° | 60.0° |
| C19 | C18 | C20 | H27 | 173.9° | 180.0° |
| C23 | C31 | O32 | H32 | 124.0° | 120.0° |
| C31 | C23 | C24 | H2 | 55.6° | 64.0° |
| C31 | C23 | C24 | H3 | 63.2° | 56.0° |
| C31 | C23 | N22 | H34 | 43.2° | 122.9° |
| C23 | C31 | O32 | H36 | 64.4° | 60.0° |
| C23 | C31 | S2 | O1 | 172.5° | 49.9° |
| C23 | C31 | S2 | O2 | 84.2° | 173.3° |
| C23 | C31 | S2 | O3 | 84.2° | 61.7° |
| O32 | C31 | C23 | H1 | 59.6° | 61.9° |
| O32 | C31 | S2 | O1 | 72.6° | 70.1° |
| O32 | C31 | S2 | O2 | 160.9° | 66.7° |
| O32 | C31 | S2 | O3 | 160.9° | 178.3° |
| H1 | C23 | C24 | H2 | 64.4° | 175.9° |
| H1 | C23 | C24 | H3 | 176.8° | 64.1° |
| H1 | C23 | C31 | H32 | 65.3° | 178.1° |
| H1 | C23 | N22 | H34 | 163.3° | 2.9° |
| H2 | C24 | C25 | H4 | 175.3° | 63.1° |
| H3 | C24 | C25 | H4 | 65.9° | 176.9° |
| H4 | C25 | C29 | H30 | 136.7° | 147.9° |
| H4 | C25 | C29 | H31 | 16.0° | 24.1° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C06 | C05 | H12 | 0.1° | 0.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H13 | C04 | C03 | H14 | 0.5° | 0.1° |
| H18 | C16 | C17 | H19 | 178.5° | 175.0° |
| H18 | C16 | C17 | H20 | 63.3° | 65.0° |
| H18 | C16 | N15 | H33 | 108.7° | 145.0° |
| H19 | C17 | C18 | H21 | 56.4° | 65.0° |
| H20 | C17 | C18 | H21 | 174.7° | 175.0° |
| H21 | C18 | C19 | H22 | 63.2° | 180.0° |
| H21 | C18 | C19 | H23 | 176.8° | 60.0° |
| H21 | C18 | C19 | H24 | 56.8° | 60.0° |
| H21 | C18 | C20 | H25 | 62.7° | 60.0° |
| H21 | C18 | C20 | H26 | 177.3° | 180.0° |
| H21 | C18 | C20 | H27 | 57.3° | 60.0° |
| H22 | C19 | H23 | H24 | 120.0° | 120.0° |
| H25 | C20 | H26 | H27 | 120.0° | 120.0° |
| H28 | C28 | C29 | H30 | 135.7° | 26.3° |
| H28 | C28 | C29 | H31 | 14.9° | 97.5° |
| H28 | C28 | N27 | H35 | 69.9° | 44.0° |
| H29 | C28 | C29 | H30 | 14.4° | 148.2° |
| H29 | C28 | C29 | H31 | 106.4° | 24.4° |
| H29 | C28 | N27 | H35 | 51.4° | 77.9° |
| H32 | C31 | O32 | H36 | 59.5° | 60.0° |
| H32 | C31 | S2 | O1 | 51.0° | 169.9° |
| H32 | C31 | S2 | O2 | 37.4° | 53.3° |
| H32 | C31 | S2 | O3 | 37.4° | 58.4° |
| O1 | S2 | O2 | O3 | 90.0° | 116.7° |
| O1 | S2 | O3 | H15 | 90.0° | 63.9° |
| O2 | S2 | O3 | H15 | 90.0° | 63.9° |
