OVB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG | sing | 1.53Å | 1.52Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| O6 | S | sing | 1.52Å | 1.60Å | |
| C | N3S | sing | 1.35Å | 1.37Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N3S | S | sing | 1.66Å | 1.60Å | |
| O2S | S | doub | 1.42Å | 1.42Å | |
| S | O1S | doub | 1.42Å | 1.42Å | |
| C9 | N10 | sing | 1.46Å | 1.46Å | |
| N11 | N10 | sing | 1.29Å | 1.35Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.31Å | Aromatic |
| N10 | C14 | sing | 1.35Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.34Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.47Å | |
| C20 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | O21 | sing | 1.36Å | 1.41Å | |
| O21 | C22 | sing | 1.43Å | 1.33Å | |
| C22 | F25 | sing | 1.40Å | 1.32Å | |
| C22 | F24 | sing | 1.40Å | 1.32Å | |
| C22 | F23 | sing | 1.40Å | 1.32Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| O3 | H19 | sing | 0.97Å | 0.95Å | |
| N | H20 | sing | 1.01Å | 1.00Å | |
| N | H21 | sing | 1.01Å | 1.00Å | |
| CA | H23 | sing | 1.09Å | 1.10Å | |
| CB | H24 | sing | 1.09Å | 1.10Å | |
| CB | H25 | sing | 1.09Å | 1.10Å | |
| CG | H26 | sing | 1.09Å | 1.10Å | |
| CD1 | H27 | sing | 1.09Å | 1.10Å | |
| CD1 | H28 | sing | 1.09Å | 1.10Å | |
| CD1 | H29 | sing | 1.09Å | 1.10Å | |
| CD2 | H30 | sing | 1.09Å | 1.10Å | |
| CD2 | H31 | sing | 1.09Å | 1.10Å | |
| CD2 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H33 | sing | 1.09Å | 1.10Å | |
| N3S | H34 | sing | 0.97Å | 1.00Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 110.3° | 109.5° |
| CD2 | CG | CD1 | 110.6° | 109.4° |
| CD2 | CG | H26 | 108.4° | 109.5° |
| CG | CD2 | H30 | 109.5° | 109.5° |
| CG | CD2 | H31 | 109.5° | 109.5° |
| CG | CD2 | H32 | 109.4° | 109.5° |
| O4 | C4 | C5 | 109.6° | 109.6° |
| O4 | C4 | C3 | 108.6° | 109.5° |
| O4 | C4 | H5 | 109.7° | 109.5° |
| C4 | O4 | H35 | 109.5° | 114.0° |
| O5 | C5 | C4 | 112.9° | 109.4° |
| O5 | C5 | C6 | 109.4° | 109.5° |
| C5 | O5 | C1 | 114.0° | 114.1° |
| O5 | C5 | H33 | 106.6° | 109.5° |
| C4 | C5 | C6 | 116.1° | 109.4° |
| C5 | C4 | C3 | 112.4° | 109.2° |
| C5 | C4 | H5 | 108.3° | 109.6° |
| C4 | C5 | H33 | 105.5° | 109.5° |
| C5 | C6 | O6 | 110.3° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| C5 | C6 | H7 | 109.3° | 109.5° |
| C6 | C5 | H33 | 105.6° | 109.5° |
| O5 | C1 | C2 | 111.9° | 109.4° |
| O5 | C1 | H1 | 108.9° | 109.5° |
| O5 | C1 | H2 | 108.9° | 109.5° |
| CB | CG | CD1 | 110.8° | 109.5° |
| CG | CB | CA | 114.0° | 109.5° |
| CG | CB | H24 | 108.3° | 109.5° |
| CG | CB | H25 | 108.3° | 109.4° |
| CB | CG | H26 | 108.4° | 109.5° |
| CD1 | CG | H26 | 108.3° | 109.5° |
| CG | CD1 | H27 | 109.5° | 109.5° |
| CG | CD1 | H28 | 109.4° | 109.5° |
| CG | CD1 | H29 | 109.4° | 109.4° |
| C4 | C3 | C2 | 111.5° | 109.0° |
| C4 | C3 | O3 | 109.3° | 109.6° |
| C4 | C3 | H4 | 108.3° | 109.6° |
| C3 | C4 | H5 | 108.3° | 109.5° |
| CB | CA | N | 111.5° | 109.4° |
| CB | CA | C | 108.0° | 109.5° |
| CB | CA | H23 | 108.2° | 109.5° |
| CA | CB | H24 | 108.3° | 109.5° |
| CA | CB | H25 | 108.3° | 109.5° |
| C6 | O6 | S | 118.2° | 114.0° |
| O6 | C6 | H6 | 109.3° | 109.4° |
| O6 | C6 | H7 | 109.3° | 109.4° |
| C1 | C2 | C3 | 108.7° | 109.2° |
| C1 | C2 | C7 | 110.1° | 109.5° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C1 | C2 | H3 | 109.1° | 109.5° |
| C3 | C2 | C7 | 111.0° | 109.5° |
| C2 | C3 | O3 | 109.8° | 109.5° |
| C3 | C2 | H3 | 109.0° | 109.5° |
| C2 | C3 | H4 | 108.3° | 109.5° |
| C2 | C7 | C8 | 115.6° | 109.5° |
| C7 | C2 | H3 | 108.9° | 109.5° |
| C2 | C7 | H8 | 107.9° | 109.4° |
| C2 | C7 | H9 | 107.9° | 109.5° |
| O3 | C3 | H4 | 109.6° | 109.5° |
| C3 | O3 | H19 | 109.5° | 114.0° |
| N | CA | C | 111.8° | 109.5° |
| CA | N | H20 | 109.5° | 111.0° |
| CA | N | H21 | 109.5° | 111.1° |
| N | CA | H23 | 108.9° | 109.4° |
| CA | C | N3S | 116.3° | 120.0° |
| CA | C | O | 120.8° | 120.0° |
| C | CA | H23 | 108.3° | 109.5° |
| O6 | S | N3S | 105.6° | 107.2° |
| O6 | S | O2S | 106.9° | 106.4° |
| O6 | S | O1S | 104.1° | 106.4° |
| N3S | C | O | 122.9° | 120.0° |
| C | N3S | S | 129.8° | 120.0° |
| C | N3S | H34 | 115.1° | 120.0° |
| C7 | C8 | C9 | 113.4° | 109.4° |
| C8 | C7 | H8 | 107.9° | 109.5° |
| C8 | C7 | H9 | 107.9° | 109.5° |
| C7 | C8 | H10 | 108.5° | 109.5° |
| C7 | C8 | H11 | 108.5° | 109.4° |
| C8 | C9 | N10 | 112.7° | 109.5° |
| C9 | C8 | H10 | 108.5° | 109.5° |
| C9 | C8 | H11 | 108.5° | 109.5° |
| C8 | C9 | H12 | 108.7° | 109.5° |
| C8 | C9 | H13 | 108.7° | 109.4° |
| N3S | S | O2S | 108.4° | 106.4° |
| N3S | S | O1S | 109.7° | 106.4° |
| S | N3S | H34 | 115.1° | 120.0° |
| O2S | S | O1S | 121.2° | 123.2° |
| C9 | N10 | N11 | 120.9° | 125.8° |
| C9 | N10 | C14 | 128.4° | 125.7° |
| N10 | C9 | H12 | 108.6° | 109.5° |
| N10 | C9 | H13 | 108.7° | 109.5° |
| N10 | N11 | N12 | 107.0° | 110.5° |
| N11 | N10 | C14 | 110.7° | 108.5° |
| N11 | N12 | C13 | 109.4° | 108.7° |
| N10 | C14 | C13 | 105.4° | 106.0° |
| N10 | C14 | H14 | 127.3° | 127.0° |
| N12 | C13 | C14 | 107.5° | 106.2° |
| N12 | C13 | C15 | 122.5° | 126.9° |
| C14 | C13 | C15 | 130.0° | 126.9° |
| C13 | C14 | H14 | 127.3° | 127.0° |
| C13 | C15 | C20 | 120.7° | 120.1° |
| C13 | C15 | C16 | 120.6° | 120.1° |
| C15 | C20 | C19 | 120.9° | 119.9° |
| C20 | C15 | C16 | 118.6° | 119.9° |
| C15 | C20 | H18 | 119.6° | 120.0° |
| C20 | C19 | C18 | 119.8° | 120.1° |
| C20 | C19 | H17 | 120.1° | 119.9° |
| C19 | C20 | H18 | 119.6° | 120.0° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C15 | C16 | H15 | 119.6° | 120.1° |
| C19 | C18 | C17 | 120.1° | 120.1° |
| C19 | C18 | O21 | 118.5° | 119.9° |
| C18 | C19 | H17 | 120.1° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.1° |
| C17 | C16 | H15 | 119.6° | 120.0° |
| C16 | C17 | H16 | 120.1° | 120.0° |
| C17 | C18 | O21 | 121.2° | 120.0° |
| C18 | C17 | H16 | 120.1° | 120.0° |
| C18 | O21 | C22 | 118.0° | 117.0° |
| O21 | C22 | F25 | 111.7° | 109.5° |
| O21 | C22 | F24 | 110.4° | 109.5° |
| O21 | C22 | F23 | 112.3° | 109.4° |
| F25 | C22 | F24 | 107.5° | 109.5° |
| F25 | C22 | F23 | 107.4° | 109.4° |
| F24 | C22 | F23 | 107.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H20 | N | H21 | 109.5° | 111.0° |
| H24 | CB | H25 | 109.5° | 109.5° |
| H27 | CD1 | H28 | 109.5° | 109.5° |
| H27 | CD1 | H29 | 109.5° | 109.5° |
| H28 | CD1 | H29 | 109.5° | 109.5° |
| H30 | CD2 | H31 | 109.5° | 109.5° |
| H30 | CD2 | H32 | 109.5° | 109.4° |
| H31 | CD2 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 122.7° | 120.0° |
| CD2 | CG | CB | H26 | 118.6° | 120.0° |
| CD2 | CG | CD1 | H26 | 118.7° | 120.0° |
| CD2 | CG | CB | CA | 168.2° | 65.0° |
| CD2 | CG | CB | H24 | 71.2° | 175.0° |
| CD2 | CG | CB | H25 | 47.5° | 55.0° |
| CD2 | CG | CD1 | H27 | 180.0° | 60.1° |
| CD2 | CG | CD1 | H28 | 60.0° | 60.0° |
| CD2 | CG | CD1 | H29 | 60.0° | 180.0° |
| CG | CD2 | H30 | H31 | 120.0° | 120.1° |
| CG | CD2 | H30 | H32 | 120.0° | 119.9° |
| CG | CD2 | H31 | H32 | 120.0° | 120.0° |
| O4 | C4 | C5 | O5 | 73.9° | 177.5° |
| O4 | C4 | C5 | C3 | 120.8° | 119.9° |
| O4 | C4 | C5 | H5 | 119.6° | 120.2° |
| O4 | C4 | C5 | C6 | 158.6° | 62.5° |
| O4 | C4 | C3 | H5 | 119.1° | 120.1° |
| O4 | C4 | C3 | C2 | 72.6° | 176.9° |
| O4 | C4 | C3 | O3 | 49.0° | 57.1° |
| O4 | C4 | C3 | H4 | 168.4° | 63.2° |
| O4 | C4 | C5 | H33 | 42.1° | 57.5° |
| O5 | C5 | C4 | C6 | 127.5° | 120.0° |
| O5 | C5 | C4 | H33 | 116.0° | 120.0° |
| O5 | C5 | C6 | H33 | 114.3° | 120.1° |
| O5 | C5 | C4 | C3 | 46.9° | 57.6° |
| O5 | C5 | C6 | O6 | 78.8° | 65.0° |
| C5 | O5 | C1 | C2 | 58.9° | 61.2° |
| C5 | O5 | C1 | H1 | 179.3° | 178.9° |
| C5 | O5 | C1 | H2 | 61.4° | 58.9° |
| O5 | C5 | C4 | H5 | 166.5° | 62.3° |
| O5 | C5 | C6 | H6 | 41.3° | 175.0° |
| O5 | C5 | C6 | H7 | 161.1° | 55.0° |
| C4 | C5 | C6 | H33 | 116.5° | 120.0° |
| C4 | C5 | O5 | C1 | 52.1° | 61.2° |
| C5 | C4 | C3 | H5 | 119.6° | 120.0° |
| C4 | C5 | C6 | O6 | 50.4° | 175.1° |
| C5 | C4 | C3 | C2 | 48.7° | 57.0° |
| C5 | C4 | C3 | O3 | 170.4° | 62.8° |
| C5 | C4 | C3 | H4 | 70.3° | 176.9° |
| C4 | C5 | C6 | H6 | 170.5° | 55.1° |
| C4 | C5 | C6 | H7 | 69.7° | 64.9° |
| C5 | C4 | O4 | H35 | 180.0° | 60.3° |
| C6 | C5 | O5 | C1 | 78.8° | 178.9° |
| C6 | C5 | C4 | C3 | 80.6° | 177.6° |
| C5 | C6 | O6 | H6 | 120.1° | 120.0° |
| C5 | C6 | O6 | H7 | 120.1° | 120.0° |
| C5 | C6 | O6 | S | 163.5° | 180.0° |
| C6 | C5 | C4 | H5 | 39.0° | 57.7° |
| C5 | C6 | H6 | H7 | 119.6° | 120.1° |
| O5 | C1 | C2 | H1 | 120.3° | 120.0° |
| O5 | C1 | C2 | H2 | 120.4° | 120.0° |
| O5 | C1 | C2 | C3 | 58.5° | 57.6° |
| O5 | C1 | C2 | C7 | 179.7° | 62.3° |
| O5 | C1 | H1 | H2 | 118.9° | 120.0° |
| O5 | C1 | C2 | H3 | 60.2° | 177.6° |
| C1 | O5 | C5 | H33 | 167.5° | 58.8° |
| CB | CG | CD1 | H26 | 118.8° | 120.0° |
| CG | CB | CA | H24 | 120.7° | 120.0° |
| CG | CB | CA | H25 | 120.7° | 120.0° |
| CG | CB | CA | N | 68.5° | 65.0° |
| CG | CB | CA | C | 168.3° | 175.0° |
| CG | CB | CA | H23 | 51.3° | 54.9° |
| CG | CB | H24 | H25 | 117.9° | 119.9° |
| CB | CG | CD1 | H27 | 57.5° | 60.0° |
| CB | CG | CD1 | H28 | 177.5° | 180.0° |
| CB | CG | CD1 | H29 | 62.5° | 60.0° |
| CB | CG | CD2 | H30 | 180.0° | 59.9° |
| CB | CG | CD2 | H31 | 60.0° | 180.0° |
| CB | CG | CD2 | H32 | 60.0° | 60.0° |
| CD1 | CG | CB | CA | 69.1° | 175.0° |
| CD1 | CG | CB | H24 | 51.6° | 55.0° |
| CD1 | CG | CB | H25 | 170.3° | 65.0° |
| CG | CD1 | H27 | H28 | 120.0° | 120.0° |
| CG | CD1 | H27 | H29 | 120.0° | 119.9° |
| CG | CD1 | H28 | H29 | 120.0° | 119.9° |
| CD1 | CG | CD2 | H30 | 57.2° | 180.0° |
| CD1 | CG | CD2 | H31 | 177.1° | 60.0° |
| CD1 | CG | CD2 | H32 | 62.9° | 60.0° |
| C4 | C3 | C2 | C1 | 53.8° | 57.0° |
| C4 | C3 | C2 | O3 | 121.4° | 119.9° |
| C4 | C3 | C2 | H4 | 119.0° | 119.9° |
| C4 | C3 | C2 | C7 | 175.1° | 62.9° |
| C4 | C3 | O3 | H4 | 118.5° | 120.3° |
| C4 | C3 | C2 | H3 | 65.1° | 176.9° |
| C4 | C3 | O3 | H19 | 180.0° | 60.4° |
| C3 | C4 | C5 | H33 | 162.9° | 62.3° |
| C3 | C4 | O4 | H35 | 57.0° | 180.0° |
| CB | CA | N | C | 121.0° | 120.0° |
| CB | CA | N | H23 | 119.4° | 119.9° |
| CB | CA | C | H23 | 117.0° | 120.0° |
| CB | CA | C | N3S | 114.5° | 80.0° |
| CB | CA | C | O | 64.5° | 100.0° |
| CB | CA | N | H20 | 180.0° | 60.1° |
| CB | CA | N | H21 | 60.0° | 63.9° |
| CA | CB | H24 | H25 | 117.9° | 120.0° |
| CA | CB | CG | H26 | 49.6° | 55.0° |
| C6 | O6 | S | N3S | 55.7° | 75.0° |
| C6 | O6 | S | O2S | 59.5° | 171.4° |
| C6 | O6 | S | O1S | 171.2° | 38.5° |
| O6 | C6 | H6 | H7 | 119.7° | 119.9° |
| O6 | C6 | C5 | H33 | 166.9° | 55.0° |
| C1 | C2 | C3 | C7 | 121.3° | 119.9° |
| C1 | C2 | C3 | H3 | 118.8° | 119.9° |
| C1 | C2 | C7 | H3 | 119.6° | 120.1° |
| C1 | C2 | C3 | O3 | 175.1° | 62.9° |
| C1 | C2 | C7 | C8 | 140.9° | 65.0° |
| C2 | C1 | H1 | H2 | 118.9° | 120.0° |
| C1 | C2 | C3 | H4 | 65.3° | 176.9° |
| C1 | C2 | C7 | H8 | 20.0° | 55.0° |
| C1 | C2 | C7 | H9 | 98.2° | 175.0° |
| C3 | C2 | C7 | H3 | 119.9° | 120.2° |
| C2 | C3 | O3 | H4 | 118.8° | 120.2° |
| C3 | C2 | C7 | C8 | 98.7° | 175.3° |
| C3 | C2 | C1 | H1 | 178.8° | 177.6° |
| C3 | C2 | C1 | H2 | 61.9° | 62.4° |
| C2 | C3 | C4 | H5 | 168.3° | 63.0° |
| C3 | C2 | C7 | H8 | 140.4° | 64.7° |
| C3 | C2 | C7 | H9 | 22.2° | 55.3° |
| C2 | C3 | O3 | H19 | 57.3° | 180.0° |
| C7 | C2 | C3 | O3 | 63.6° | 177.2° |
| C2 | C7 | C8 | H8 | 120.9° | 120.0° |
| C2 | C7 | C8 | H9 | 120.9° | 120.0° |
| C2 | C7 | C8 | C9 | 171.6° | 180.0° |
| C7 | C2 | C1 | H1 | 59.4° | 57.7° |
| C7 | C2 | C1 | H2 | 59.9° | 177.7° |
| C7 | C2 | C3 | H4 | 56.0° | 57.0° |
| C2 | C7 | H8 | H9 | 117.2° | 120.0° |
| C2 | C7 | C8 | H10 | 51.0° | 60.0° |
| C2 | C7 | C8 | H11 | 67.9° | 60.0° |
| O3 | C3 | C2 | H3 | 56.3° | 57.0° |
| O3 | C3 | C4 | H5 | 70.0° | 177.2° |
| N | CA | C | H23 | 120.0° | 120.0° |
| N | CA | C | N3S | 8.5° | 160.0° |
| N | CA | C | O | 172.5° | 20.0° |
| CA | N | H20 | H21 | 120.0° | 124.1° |
| N | CA | CB | H24 | 170.9° | 55.0° |
| N | CA | CB | H25 | 52.2° | 175.0° |
| CA | C | N3S | O | 179.0° | 180.0° |
| CA | C | N3S | S | 179.2° | 180.0° |
| C | CA | N | H20 | 59.0° | 60.0° |
| C | CA | N | H21 | 61.0° | 176.0° |
| C | CA | CB | H24 | 47.7° | 65.0° |
| C | CA | CB | H25 | 71.0° | 55.0° |
| CA | C | N3S | H34 | 0.8° | 0.0° |
| O6 | S | N3S | C | 64.7° | 65.0° |
| O6 | S | N3S | O2S | 114.2° | 113.6° |
| O6 | S | N3S | O1S | 111.6° | 113.5° |
| O6 | S | O2S | O1S | 118.7° | 123.0° |
| S | O6 | C6 | H6 | 76.4° | 60.0° |
| S | O6 | C6 | H7 | 43.4° | 60.0° |
| O6 | S | N3S | H34 | 115.3° | 115.0° |
| C | N3S | S | H34 | 180.0° | 180.0° |
| C | N3S | S | O2S | 178.8° | 48.5° |
| C | N3S | S | O1S | 46.9° | 178.5° |
| N3S | C | CA | H23 | 128.6° | 40.0° |
| O | C | N3S | S | 0.2° | 0.1° |
| O | C | CA | H23 | 52.5° | 140.0° |
| O | C | N3S | H34 | 179.8° | 180.0° |
| C7 | C8 | C9 | H10 | 120.6° | 120.0° |
| C7 | C8 | C9 | H11 | 120.6° | 119.9° |
| C7 | C8 | C9 | N10 | 56.0° | 180.0° |
| C8 | C7 | C2 | H3 | 21.3° | 55.1° |
| C8 | C7 | H8 | H9 | 117.2° | 120.1° |
| C7 | C8 | H10 | H11 | 118.3° | 120.0° |
| C7 | C8 | C9 | H12 | 64.4° | 60.0° |
| C7 | C8 | C9 | H13 | 176.5° | 60.0° |
| C8 | C9 | N10 | H12 | 120.5° | 120.0° |
| C8 | C9 | N10 | H13 | 120.5° | 120.0° |
| C8 | C9 | N10 | N11 | 86.4° | 55.0° |
| C8 | C9 | N10 | C14 | 92.7° | 125.0° |
| C9 | C8 | C7 | H8 | 67.5° | 60.0° |
| C9 | C8 | C7 | H9 | 50.7° | 60.0° |
| C9 | C8 | H10 | H11 | 118.2° | 120.1° |
| C8 | C9 | H12 | H13 | 118.5° | 120.0° |
| N3S | S | O2S | O1S | 128.0° | 122.9° |
| O2S | S | N3S | H34 | 1.2° | 131.4° |
| O1S | S | N3S | H34 | 133.1° | 1.5° |
| C9 | N10 | N11 | C14 | 179.3° | 180.0° |
| C9 | N10 | N11 | N12 | 178.8° | 179.7° |
| C9 | N10 | C14 | C13 | 178.8° | 180.0° |
| N10 | C9 | C8 | H10 | 176.6° | 60.0° |
| N10 | C9 | C8 | H11 | 64.6° | 60.1° |
| N10 | C9 | H12 | H13 | 118.5° | 120.0° |
| C9 | N10 | C14 | H14 | 1.3° | 0.4° |
| N10 | N11 | N12 | C13 | 0.2° | 0.4° |
| N11 | N10 | C14 | C13 | 0.5° | 0.0° |
| N11 | N10 | C9 | H12 | 153.1° | 175.0° |
| N11 | N10 | C9 | H13 | 34.0° | 65.0° |
| N11 | N10 | C14 | H14 | 179.5° | 179.7° |
| N12 | N11 | N10 | C14 | 0.4° | 0.2° |
| N11 | N12 | C13 | C14 | 0.0° | 0.4° |
| N11 | N12 | C13 | C15 | 179.6° | 179.6° |
| N10 | C14 | C13 | N12 | 0.3° | 0.3° |
| N10 | C14 | C13 | H14 | 180.0° | 179.6° |
| N10 | C14 | C13 | C15 | 179.3° | 179.7° |
| C14 | N10 | C9 | H12 | 27.8° | 4.9° |
| C14 | N10 | C9 | H13 | 146.8° | 115.1° |
| N12 | C13 | C14 | C15 | 179.6° | 180.0° |
| N12 | C13 | C15 | C20 | 13.0° | 0.0° |
| N12 | C13 | C15 | C16 | 168.7° | 179.4° |
| N12 | C13 | C14 | H14 | 179.7° | 179.9° |
| C14 | C13 | C15 | C20 | 166.5° | 180.0° |
| C14 | C13 | C15 | C16 | 11.8° | 0.6° |
| C13 | C15 | C20 | C16 | 178.4° | 179.4° |
| C13 | C15 | C20 | C19 | 176.8° | 179.9° |
| C13 | C15 | C16 | C17 | 176.9° | 179.9° |
| C15 | C13 | C14 | H14 | 0.7° | 0.1° |
| C13 | C15 | C16 | H15 | 3.1° | 0.3° |
| C13 | C15 | C20 | H18 | 3.2° | 0.5° |
| C15 | C20 | C19 | H18 | 180.0° | 179.6° |
| C15 | C20 | C19 | C18 | 0.1° | 0.2° |
| C20 | C15 | C16 | C17 | 1.4° | 0.5° |
| C20 | C15 | C16 | H15 | 178.6° | 179.7° |
| C15 | C20 | C19 | H17 | 179.9° | 179.8° |
| C19 | C20 | C15 | C16 | 1.5° | 0.5° |
| C20 | C19 | C18 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 1.9° | 0.0° |
| C20 | C19 | C18 | O21 | 173.1° | 179.9° |
| C15 | C16 | C17 | H15 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 0.3° | 0.3° |
| C15 | C16 | C17 | H16 | 179.7° | 179.7° |
| C16 | C15 | C20 | H18 | 178.5° | 179.9° |
| C19 | C18 | C17 | C16 | 2.1° | 0.0° |
| C19 | C18 | C17 | O21 | 175.0° | 180.0° |
| C19 | C18 | O21 | C22 | 114.6° | 0.0° |
| C19 | C18 | C17 | H16 | 178.0° | 180.0° |
| C18 | C19 | C20 | H18 | 179.9° | 179.8° |
| C16 | C17 | C18 | H16 | 180.0° | 179.9° |
| C16 | C17 | C18 | O21 | 172.9° | 180.0° |
| C17 | C18 | O21 | C22 | 70.4° | 180.0° |
| C18 | C17 | C16 | H15 | 179.7° | 180.0° |
| C17 | C18 | C19 | H17 | 178.1° | 179.9° |
| C18 | O21 | C22 | F25 | 56.7° | 59.9° |
| C18 | O21 | C22 | F24 | 176.2° | 180.0° |
| C18 | O21 | C22 | F23 | 64.0° | 60.0° |
| O21 | C18 | C17 | H16 | 7.1° | 0.0° |
| O21 | C18 | C19 | H17 | 6.8° | 0.1° |
| O21 | C22 | F25 | F24 | 121.2° | 120.0° |
| O21 | C22 | F25 | F23 | 123.5° | 120.0° |
| O21 | C22 | F24 | F23 | 122.7° | 120.0° |
| F25 | C22 | F24 | F23 | 115.3° | 120.0° |
| H1 | C1 | C2 | H3 | 60.1° | 62.5° |
| H2 | C1 | C2 | H3 | 179.4° | 57.5° |
| H3 | C2 | C3 | H4 | 175.9° | 63.1° |
| H3 | C2 | C7 | H8 | 99.6° | 175.2° |
| H3 | C2 | C7 | H9 | 142.2° | 64.9° |
| H4 | C3 | C4 | H5 | 49.3° | 56.9° |
| H4 | C3 | O3 | H19 | 61.5° | 59.9° |
| H5 | C4 | C5 | H33 | 77.5° | 177.7° |
| H5 | C4 | O4 | H35 | 61.3° | 59.9° |
| H6 | C6 | C5 | H33 | 73.0° | 64.9° |
| H7 | C6 | C5 | H33 | 46.7° | 175.0° |
| H8 | C7 | C8 | H10 | 171.9° | 180.0° |
| H8 | C7 | C8 | H11 | 53.0° | 60.0° |
| H9 | C7 | C8 | H10 | 69.9° | 60.0° |
| H9 | C7 | C8 | H11 | 171.2° | 180.0° |
| H10 | C8 | C9 | H12 | 56.2° | 180.0° |
| H10 | C8 | C9 | H13 | 62.9° | 60.0° |
| H11 | C8 | C9 | H12 | 175.0° | 60.0° |
| H11 | C8 | C9 | H13 | 55.9° | 180.0° |
| H15 | C16 | C17 | H16 | 0.3° | 0.1° |
| H17 | C19 | C20 | H18 | 0.1° | 0.3° |
| H20 | N | CA | H23 | 60.6° | 180.0° |
| H21 | N | CA | H23 | 179.3° | 56.0° |
| H23 | CA | CB | H24 | 69.3° | 175.0° |
| H23 | CA | CB | H25 | 172.0° | 65.0° |
| H24 | CB | CG | H26 | 170.3° | 65.0° |
| H25 | CB | CG | H26 | 71.0° | 175.0° |
| H26 | CG | CD1 | H27 | 61.3° | 179.9° |
| H26 | CG | CD1 | H28 | 58.7° | 60.0° |
| H26 | CG | CD1 | H29 | 178.7° | 60.0° |
| H26 | CG | CD2 | H30 | 61.4° | 60.1° |
| H26 | CG | CD2 | H31 | 58.5° | 60.0° |
| H26 | CG | CD2 | H32 | 178.6° | NaN° |
| H27 | CD1 | H28 | H29 | 120.0° | 120.0° |
| H30 | CD2 | H31 | H32 | 120.0° | 119.9° |
