SWC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | P33 | sing | 1.61Å | 1.51Å | |
| P33 | O32 | sing | 1.61Å | 1.61Å | |
| P33 | O34 | doub | 1.48Å | 1.51Å | |
| O32 | C27 | sing | 1.43Å | 1.43Å | |
| C31 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C30 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| O17 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | N13 | sing | 1.35Å | 1.33Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C12 | N13 | sing | 1.47Å | 1.45Å | |
| C12 | C1 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C25 | O29 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C24 | O28 | doub | 1.21Å | 1.22Å | |
| C24 | N23 | sing | 1.35Å | 1.33Å | |
| C16 | N18 | sing | 1.46Å | 1.45Å | |
| N23 | C21 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.35Å | 1.33Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | O22 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.81Å | 1.60Å | |
| O9 | S8 | sing | 1.66Å | 1.44Å | |
| S8 | O10 | sing | 1.66Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H25 | sing | 1.08Å | 1.08Å | |
| N13 | H26 | sing | 0.97Å | 1.00Å | |
| N18 | H27 | sing | 0.97Å | 1.00Å | |
| N23 | H28 | sing | 0.97Å | 1.00Å | |
| O10 | H29 | sing | 0.97Å | 0.95Å | |
| O29 | H30 | sing | 0.97Å | 0.95Å | |
| O36 | H32 | sing | 0.97Å | 0.95Å | |
| O9 | H33 | sing | 0.97Å | 0.95Å | |
| S8 | F1 | sing | 1.61Å | 1.65Å | |
| P33 | O1 | sing | 1.61Å | 1.61Å | |
| O1 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | P33 | O32 | 109.5° | 109.5° |
| O36 | P33 | O34 | 110.8° | 109.5° |
| P33 | O36 | H32 | 109.5° | 114.0° |
| O36 | P33 | O1 | 108.9° | 109.4° |
| O32 | P33 | O34 | 109.2° | 109.5° |
| P33 | O32 | C27 | 120.5° | 123.0° |
| O32 | P33 | O1 | 109.7° | 109.5° |
| O34 | P33 | O1 | 108.9° | 109.5° |
| O32 | C27 | C26 | 109.4° | 109.4° |
| O32 | C27 | H14 | 109.5° | 109.4° |
| O32 | C27 | H15 | 109.5° | 109.5° |
| C31 | C26 | C27 | 108.6° | 109.5° |
| C31 | C26 | C30 | 108.6° | 109.5° |
| C31 | C26 | C25 | 108.6° | 109.4° |
| C26 | C31 | H20 | 109.5° | 109.5° |
| C26 | C31 | H21 | 109.5° | 109.4° |
| C26 | C31 | H22 | 109.4° | 109.5° |
| C27 | C26 | C30 | 109.6° | 109.5° |
| C27 | C26 | C25 | 110.1° | 109.5° |
| C26 | C27 | H14 | 109.5° | 109.5° |
| C26 | C27 | H15 | 109.5° | 109.4° |
| C30 | C26 | C25 | 111.2° | 109.5° |
| C26 | C30 | H17 | 109.5° | 109.5° |
| C26 | C30 | H18 | 109.5° | 109.5° |
| C26 | C30 | H19 | 109.4° | 109.5° |
| C26 | C25 | O29 | 109.2° | 109.4° |
| C26 | C25 | C24 | 111.5° | 109.5° |
| C26 | C25 | H13 | 108.5° | 109.5° |
| O17 | C14 | N13 | 123.3° | 120.0° |
| O17 | C14 | C15 | 120.7° | 120.0° |
| N13 | C14 | C15 | 116.0° | 119.9° |
| C14 | N13 | C12 | 122.2° | 119.9° |
| C14 | N13 | H26 | 118.9° | 120.1° |
| C14 | C15 | C16 | 108.9° | 109.4° |
| C14 | C15 | H5 | 109.6° | 109.5° |
| C14 | C15 | H6 | 109.6° | 109.4° |
| N13 | C12 | C1 | 111.5° | 109.4° |
| N13 | C12 | H3 | 109.0° | 109.5° |
| N13 | C12 | H4 | 108.9° | 109.4° |
| C12 | N13 | H26 | 118.9° | 120.0° |
| C12 | C1 | C2 | 110.1° | 109.5° |
| C12 | C1 | H1 | 109.3° | 109.4° |
| C12 | C1 | H2 | 109.3° | 109.4° |
| C1 | C12 | H3 | 109.0° | 109.5° |
| C1 | C12 | H4 | 109.0° | 109.5° |
| C15 | C16 | N18 | 111.6° | 109.4° |
| C16 | C15 | H5 | 109.6° | 109.5° |
| C16 | C15 | H6 | 109.6° | 109.5° |
| C15 | C16 | H7 | 109.0° | 109.5° |
| C15 | C16 | H8 | 109.0° | 109.5° |
| O29 | C25 | C24 | 109.2° | 109.5° |
| O29 | C25 | H13 | 109.7° | 109.5° |
| C25 | O29 | H30 | 109.5° | 114.1° |
| C25 | C24 | O28 | 120.8° | 120.0° |
| C25 | C24 | N23 | 116.2° | 120.0° |
| C24 | C25 | H13 | 108.7° | 109.5° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | C7 | 120.1° | 120.0° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | H2 | 109.3° | 109.5° |
| O28 | C24 | N23 | 123.0° | 120.0° |
| C24 | N23 | C21 | 122.4° | 120.0° |
| C24 | N23 | H28 | 118.8° | 120.0° |
| C16 | N18 | C19 | 121.3° | 119.9° |
| N18 | C16 | H7 | 108.9° | 109.5° |
| N18 | C16 | H8 | 108.9° | 109.5° |
| C16 | N18 | H27 | 119.3° | 120.1° |
| N23 | C21 | C20 | 111.9° | 109.5° |
| N23 | C21 | H11 | 108.9° | 109.5° |
| N23 | C21 | H12 | 108.9° | 109.5° |
| C21 | N23 | H28 | 118.8° | 120.0° |
| C3 | C2 | C7 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H16 | 120.0° | 120.0° |
| C2 | C7 | C6 | 120.0° | 120.0° |
| C2 | C7 | H25 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | H16 | 120.0° | 120.0° |
| C3 | C4 | H23 | 120.0° | 120.0° |
| N18 | C19 | C20 | 116.6° | 120.0° |
| N18 | C19 | O22 | 123.0° | 120.0° |
| C19 | N18 | H27 | 119.3° | 120.0° |
| C21 | C20 | C19 | 109.1° | 109.5° |
| C21 | C20 | H9 | 109.6° | 109.5° |
| C21 | C20 | H10 | 109.6° | 109.5° |
| C20 | C21 | H11 | 108.9° | 109.5° |
| C20 | C21 | H12 | 108.8° | 109.4° |
| C7 | C6 | C5 | 120.0° | 120.0° |
| C7 | C6 | H24 | 120.0° | 120.0° |
| C6 | C7 | H25 | 120.0° | 120.0° |
| C20 | C19 | O22 | 120.5° | 120.0° |
| C19 | C20 | H9 | 109.5° | 109.4° |
| C19 | C20 | H10 | 109.6° | 109.5° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | S8 | 120.0° | 120.0° |
| C5 | C4 | H23 | 120.0° | 120.0° |
| C6 | C5 | S8 | 120.1° | 120.0° |
| C5 | C6 | H24 | 120.0° | 120.0° |
| C5 | S8 | O9 | 109.5° | 180.0° |
| C5 | S8 | O10 | 109.2° | 90.0° |
| C5 | S8 | F1 | 109.6° | 90.0° |
| O9 | S8 | O10 | 109.0° | 90.1° |
| S8 | O9 | H33 | 109.5° | 114.0° |
| O9 | S8 | F1 | 109.8° | 90.0° |
| S8 | O10 | H29 | 109.5° | 114.0° |
| O10 | S8 | F1 | 109.8° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.6° |
| H7 | C16 | H8 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.4° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H17 | C30 | H18 | 109.5° | 109.4° |
| H17 | C30 | H19 | 109.5° | 109.4° |
| H18 | C30 | H19 | 109.4° | 109.5° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H20 | C31 | H22 | 109.5° | 109.5° |
| H21 | C31 | H22 | 109.5° | 109.4° |
| P33 | O1 | H35 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | P33 | O32 | O34 | 121.4° | 120.0° |
| O36 | P33 | O32 | O1 | 119.4° | 120.0° |
| O36 | P33 | O34 | O1 | 119.7° | 119.9° |
| O36 | P33 | O32 | C27 | 150.5° | 175.0° |
| O36 | P33 | O1 | H35 | 120.9° | 60.1° |
| O32 | P33 | O34 | O1 | 119.7° | 120.0° |
| P33 | O32 | C27 | C26 | 163.2° | 180.0° |
| P33 | O32 | C27 | H14 | 43.2° | 60.1° |
| P33 | O32 | C27 | H15 | 76.8° | 60.0° |
| O32 | P33 | O36 | H32 | 120.4° | 180.0° |
| O32 | P33 | O1 | H35 | 119.4° | 59.9° |
| O34 | P33 | O32 | C27 | 29.1° | 54.9° |
| O34 | P33 | O36 | H32 | 0.0° | 59.9° |
| O34 | P33 | O1 | H35 | 0.0° | 180.0° |
| O32 | C27 | C26 | C31 | 67.2° | 60.0° |
| O32 | C27 | C26 | H14 | 120.0° | 119.9° |
| O32 | C27 | C26 | H15 | 120.0° | 120.0° |
| O32 | C27 | C26 | C30 | 51.4° | 60.1° |
| O32 | C27 | C26 | C25 | 174.0° | 180.0° |
| O32 | C27 | H14 | H15 | 120.1° | 120.1° |
| C27 | O32 | P33 | O1 | 90.1° | 65.1° |
| C31 | C26 | C27 | C30 | 118.6° | 120.1° |
| C31 | C26 | C27 | C25 | 118.8° | 119.9° |
| C31 | C26 | C30 | C25 | 119.4° | 119.9° |
| C31 | C26 | C25 | O29 | 80.6° | 174.3° |
| C31 | C26 | C25 | C24 | 158.6° | 65.7° |
| C31 | C26 | C25 | H13 | 38.9° | 54.3° |
| C31 | C26 | C27 | H14 | 52.8° | 59.9° |
| C31 | C26 | C27 | H15 | 172.9° | 180.0° |
| C31 | C26 | C30 | H17 | 180.0° | 65.2° |
| C31 | C26 | C30 | H18 | 60.0° | 54.8° |
| C31 | C26 | C30 | H19 | 60.0° | 174.8° |
| C26 | C31 | H20 | H21 | 120.0° | 119.9° |
| C26 | C31 | H20 | H22 | 120.0° | 120.1° |
| C26 | C31 | H21 | H22 | 120.0° | 120.0° |
| C27 | C26 | C30 | C25 | 122.0° | 120.0° |
| C27 | C26 | C25 | O29 | 38.3° | 65.7° |
| C27 | C26 | C25 | C24 | 82.6° | 54.3° |
| C27 | C26 | C25 | H13 | 157.8° | 174.3° |
| C26 | C27 | H14 | H15 | 120.0° | 120.0° |
| C27 | C26 | C30 | H17 | 61.4° | 174.7° |
| C27 | C26 | C30 | H18 | 58.6° | 65.3° |
| C27 | C26 | C30 | H19 | 178.5° | 54.7° |
| C27 | C26 | C31 | H20 | 180.0° | 54.0° |
| C27 | C26 | C31 | H21 | 60.0° | 65.9° |
| C27 | C26 | C31 | H22 | 60.0° | 174.1° |
| C30 | C26 | C25 | O29 | 159.9° | 54.3° |
| C30 | C26 | C25 | C24 | 39.1° | 174.3° |
| C30 | C26 | C25 | H13 | 80.6° | 65.7° |
| C30 | C26 | C27 | H14 | 171.4° | 180.0° |
| C30 | C26 | C27 | H15 | 68.6° | 59.9° |
| C26 | C30 | H17 | H18 | 120.0° | 120.0° |
| C26 | C30 | H17 | H19 | 120.0° | 120.0° |
| C26 | C30 | H18 | H19 | 119.9° | 120.1° |
| C30 | C26 | C31 | H20 | 60.9° | 174.1° |
| C30 | C26 | C31 | H21 | 59.2° | 54.1° |
| C30 | C26 | C31 | H22 | 179.1° | 65.8° |
| C26 | C25 | O29 | C24 | 122.2° | 120.0° |
| C26 | C25 | O29 | H13 | 118.8° | 120.0° |
| C26 | C25 | C24 | H13 | 119.5° | 120.0° |
| C26 | C25 | C24 | O28 | 76.2° | 105.4° |
| C26 | C25 | C24 | N23 | 104.1° | 74.5° |
| C25 | C26 | C27 | H14 | 66.0° | 60.0° |
| C25 | C26 | C27 | H15 | 54.0° | 60.0° |
| C25 | C26 | C30 | H17 | 60.6° | 54.7° |
| C25 | C26 | C30 | H18 | 179.4° | 174.7° |
| C25 | C26 | C30 | H19 | 59.5° | 65.3° |
| C25 | C26 | C31 | H20 | 60.2° | 65.9° |
| C25 | C26 | C31 | H21 | 179.8° | 174.1° |
| C25 | C26 | C31 | H22 | 59.8° | 54.2° |
| C26 | C25 | O29 | H30 | 104.1° | 60.0° |
| O17 | C14 | N13 | C15 | 179.9° | 180.0° |
| O17 | C14 | N13 | C12 | 12.8° | 0.1° |
| O17 | C14 | C15 | C16 | 119.8° | 0.0° |
| O17 | C14 | C15 | H5 | 120.3° | 119.9° |
| O17 | C14 | C15 | H6 | 0.1° | 120.0° |
| O17 | C14 | N13 | H26 | 167.2° | 180.0° |
| C14 | N13 | C12 | H26 | 180.0° | 180.0° |
| C14 | N13 | C12 | C1 | 129.2° | 180.0° |
| N13 | C14 | C15 | C16 | 60.3° | 180.0° |
| C14 | N13 | C12 | H3 | 8.9° | 59.9° |
| C14 | N13 | C12 | H4 | 110.5° | 60.0° |
| N13 | C14 | C15 | H5 | 59.6° | 60.0° |
| N13 | C14 | C15 | H6 | 179.7° | 60.1° |
| C15 | C14 | N13 | C12 | 167.4° | 180.0° |
| C14 | C15 | C16 | H5 | 119.9° | 120.0° |
| C14 | C15 | C16 | H6 | 119.9° | 119.9° |
| C14 | C15 | C16 | N18 | 66.0° | 180.0° |
| C14 | C15 | H5 | H6 | 120.3° | 120.0° |
| C14 | C15 | C16 | H7 | 54.4° | 59.9° |
| C14 | C15 | C16 | H8 | 173.7° | 60.0° |
| C15 | C14 | N13 | H26 | 12.7° | 0.0° |
| N13 | C12 | C1 | H3 | 120.3° | 120.0° |
| N13 | C12 | C1 | H4 | 120.3° | 120.0° |
| N13 | C12 | C1 | C2 | 78.9° | 180.0° |
| N13 | C12 | C1 | H1 | 161.0° | 60.0° |
| N13 | C12 | C1 | H2 | 41.2° | 60.0° |
| N13 | C12 | H3 | H4 | 119.0° | 119.9° |
| C12 | C1 | C2 | H1 | 120.1° | 119.9° |
| C12 | C1 | C2 | H2 | 120.1° | 120.0° |
| C12 | C1 | C2 | C3 | 69.9° | 90.0° |
| C12 | C1 | C2 | C7 | 110.6° | 90.3° |
| C12 | C1 | H1 | H2 | 119.7° | 120.0° |
| C1 | C12 | H3 | H4 | 119.1° | 120.1° |
| C1 | C12 | N13 | H26 | 50.8° | 0.0° |
| C15 | C16 | N18 | H7 | 120.3° | 120.0° |
| C15 | C16 | N18 | H8 | 120.3° | 120.0° |
| C15 | C16 | N18 | C19 | 125.0° | 180.0° |
| C16 | C15 | H5 | H6 | 120.3° | 120.1° |
| C15 | C16 | H7 | H8 | 119.0° | 120.0° |
| C15 | C16 | N18 | H27 | 55.0° | 0.0° |
| O29 | C25 | C24 | H13 | 119.7° | 120.0° |
| O29 | C25 | C24 | O28 | 44.6° | 14.5° |
| O29 | C25 | C24 | N23 | 135.1° | 165.5° |
| C25 | C24 | O28 | N23 | 179.8° | 179.9° |
| C25 | C24 | N23 | C21 | 172.5° | 175.1° |
| C25 | C24 | N23 | H28 | 7.6° | 5.0° |
| C24 | C25 | O29 | H30 | 18.1° | 60.0° |
| C1 | C2 | C3 | C7 | 179.4° | 179.8° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C7 | C6 | 179.9° | 179.8° |
| C2 | C1 | H1 | H2 | 119.7° | 120.1° |
| C2 | C1 | C12 | H3 | 41.4° | 60.0° |
| C2 | C1 | C12 | H4 | 160.8° | 60.0° |
| C1 | C2 | C3 | H16 | 0.2° | 0.0° |
| C1 | C2 | C7 | H25 | 0.1° | 0.0° |
| O28 | C24 | N23 | C21 | 7.8° | 5.0° |
| O28 | C24 | C25 | H13 | 164.3° | 134.5° |
| O28 | C24 | N23 | H28 | 172.2° | 175.0° |
| C24 | N23 | C21 | H28 | 180.0° | 180.0° |
| C24 | N23 | C21 | C20 | 128.6° | 180.0° |
| C24 | N23 | C21 | H11 | 8.2° | 60.0° |
| C24 | N23 | C21 | H12 | 111.1° | 60.0° |
| N23 | C24 | C25 | H13 | 15.5° | 45.5° |
| C16 | N18 | C19 | H27 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 150.9° | 180.0° |
| C16 | N18 | C19 | O22 | 29.3° | 0.0° |
| N18 | C16 | C15 | H5 | 174.1° | 60.0° |
| N18 | C16 | C15 | H6 | 53.9° | 60.1° |
| N18 | C16 | H7 | H8 | 119.0° | 120.0° |
| N23 | C21 | C20 | H11 | 120.4° | 120.1° |
| N23 | C21 | C20 | H12 | 120.4° | 120.0° |
| N23 | C21 | C20 | C19 | 40.2° | 180.0° |
| N23 | C21 | C20 | H9 | 79.8° | 60.0° |
| N23 | C21 | C20 | H10 | 160.1° | 60.0° |
| N23 | C21 | H11 | H12 | 118.9° | 120.0° |
| C2 | C3 | C4 | H16 | 180.0° | 179.9° |
| C3 | C2 | C7 | C6 | 0.5° | 0.5° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 50.2° | 30.0° |
| C3 | C2 | C1 | H2 | 170.0° | 150.1° |
| C2 | C3 | C4 | H23 | 179.8° | 180.0° |
| C3 | C2 | C7 | H25 | 179.5° | 179.8° |
| C7 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | C7 | C6 | H25 | 180.0° | 179.8° |
| C2 | C7 | C6 | C5 | 0.5° | 0.5° |
| C7 | C2 | C1 | H1 | 129.3° | 149.8° |
| C7 | C2 | C1 | H2 | 9.5° | 29.7° |
| C7 | C2 | C3 | H16 | 179.7° | 179.8° |
| C2 | C7 | C6 | H24 | 179.4° | 179.7° |
| C3 | C4 | C5 | H23 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | S8 | 179.9° | 180.0° |
| N18 | C19 | C20 | C21 | 51.7° | 180.0° |
| N18 | C19 | C20 | O22 | 179.8° | 179.9° |
| C19 | N18 | C16 | H7 | 114.6° | 60.0° |
| C19 | N18 | C16 | H8 | 4.7° | 60.0° |
| N18 | C19 | C20 | H9 | 171.7° | 60.0° |
| N18 | C19 | C20 | H10 | 68.2° | 60.0° |
| C21 | C20 | C19 | H9 | 120.0° | 120.0° |
| C21 | C20 | C19 | H10 | 120.0° | 120.0° |
| C21 | C20 | C19 | O22 | 128.5° | 0.1° |
| C21 | C20 | H9 | H10 | 120.2° | 120.0° |
| C20 | C21 | H11 | H12 | 118.8° | 119.9° |
| C20 | C21 | N23 | H28 | 51.4° | 0.0° |
| C7 | C6 | C5 | C4 | 0.4° | 0.3° |
| C7 | C6 | C5 | H24 | 180.0° | 179.8° |
| C7 | C6 | C5 | S8 | 179.9° | 179.8° |
| C19 | C20 | H9 | H10 | 120.2° | 120.0° |
| C19 | C20 | C21 | H11 | 160.6° | 60.0° |
| C19 | C20 | C21 | H12 | 80.2° | 60.0° |
| C20 | C19 | N18 | H27 | 29.1° | 0.0° |
| O22 | C19 | C20 | H9 | 8.6° | 120.1° |
| O22 | C19 | C20 | H10 | 111.5° | 120.0° |
| O22 | C19 | N18 | H27 | 150.7° | 179.9° |
| C4 | C5 | C6 | S8 | 179.7° | 179.9° |
| C4 | C5 | S8 | O9 | 81.5° | 20.7° |
| C4 | C5 | S8 | O10 | 159.2° | 180.0° |
| C5 | C4 | C3 | H16 | 179.8° | 180.0° |
| C4 | C5 | C6 | H24 | 179.6° | 180.0° |
| C4 | C5 | S8 | F1 | 38.9° | 60.0° |
| C6 | C5 | S8 | O9 | 98.1° | 159.4° |
| C6 | C5 | S8 | O10 | 21.1° | 0.0° |
| C6 | C5 | C4 | H23 | 179.8° | 180.0° |
| C5 | C6 | C7 | H25 | 179.4° | 179.8° |
| C6 | C5 | S8 | F1 | 141.4° | 120.0° |
| C5 | S8 | O9 | O10 | 119.4° | 159.4° |
| C5 | S8 | O9 | F1 | 120.3° | 39.4° |
| C5 | S8 | O10 | F1 | 120.2° | 89.9° |
| S8 | C5 | C4 | H23 | 0.1° | 0.0° |
| S8 | C5 | C6 | H24 | 0.1° | 0.0° |
| C5 | S8 | O10 | H29 | 180.0° | 90.0° |
| C5 | S8 | O9 | H33 | 180.0° | 20.6° |
| O9 | S8 | O10 | F1 | 120.2° | 90.0° |
| O9 | S8 | O10 | H29 | 60.4° | 90.0° |
| O10 | S8 | O9 | H33 | 60.6° | 180.0° |
| H1 | C1 | C12 | H3 | 78.7° | 60.0° |
| H1 | C1 | C12 | H4 | 40.7° | 180.0° |
| H2 | C1 | C12 | H3 | 161.5° | 180.0° |
| H2 | C1 | C12 | H4 | 79.1° | 60.0° |
| H3 | C12 | N13 | H26 | 171.1° | 120.0° |
| H4 | C12 | N13 | H26 | 69.5° | 120.0° |
| H5 | C15 | C16 | H7 | 65.5° | 179.9° |
| H5 | C15 | C16 | H8 | 53.8° | 60.0° |
| H6 | C15 | C16 | H7 | 174.3° | 60.0° |
| H6 | C15 | C16 | H8 | 66.4° | 179.9° |
| H7 | C16 | N18 | H27 | 65.3° | 120.0° |
| H8 | C16 | N18 | H27 | 175.3° | 120.0° |
| H9 | C20 | C21 | H11 | 40.6° | 179.9° |
| H9 | C20 | C21 | H12 | 159.9° | 60.0° |
| H10 | C20 | C21 | H11 | 79.5° | 60.0° |
| H10 | C20 | C21 | H12 | 39.8° | 180.0° |
| H11 | C21 | N23 | H28 | 171.8° | 120.0° |
| H12 | C21 | N23 | H28 | 69.0° | 120.0° |
| H13 | C25 | O29 | H30 | 137.2° | 180.0° |
| H16 | C3 | C4 | H23 | 0.2° | 0.0° |
| H17 | C30 | H18 | H19 | 120.1° | 119.9° |
| H20 | C31 | H21 | H22 | 120.0° | 120.1° |
| H24 | C6 | C7 | H25 | 0.6° | 0.0° |
| H29 | O10 | S8 | F1 | 59.8° | 180.0° |
| H32 | O36 | P33 | O1 | 119.7° | 60.0° |
| H33 | O9 | S8 | F1 | 59.7° | 60.0° |
