OVQ
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 | 1.51Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| O6 | S | sing | 1.52Å | 1.59Å | |
| 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 | 1.52Å | |
| N3S | S | sing | 1.66Å | 1.60Å | |
| O1S | S | doub | 1.42Å | 1.42Å | |
| S | O2S | doub | 1.42Å | 1.42Å | |
| C9 | N10 | sing | 1.47Å | 1.46Å | |
| N11 | N10 | sing | 1.29Å | 1.34Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.31Å | Aromatic |
| N10 | C14 | sing | 1.35Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.47Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N17 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| N17 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.09Å | 1.10Å | |
| CD1 | H10 | sing | 1.09Å | 1.10Å | |
| CD2 | H11 | sing | 1.09Å | 1.10Å | |
| CD2 | H12 | sing | 1.09Å | 1.10Å | |
| CD2 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| N3S | H33 | sing | 0.97Å | 1.00Å | |
| O3 | H34 | sing | 0.97Å | 0.95Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 111.1° | 109.5° |
| CD2 | CG | CD1 | 110.7° | 109.5° |
| CD2 | CG | H7 | 107.9° | 109.5° |
| CG | CD2 | H11 | 109.5° | 109.5° |
| CG | CD2 | H12 | 109.5° | 109.5° |
| CG | CD2 | H13 | 109.5° | 109.5° |
| O4 | C4 | C5 | 108.9° | 109.6° |
| O4 | C4 | C3 | 109.9° | 109.5° |
| O4 | C4 | H23 | 109.6° | 109.5° |
| C4 | O4 | H35 | 109.5° | 114.0° |
| O5 | C5 | C4 | 113.0° | 109.4° |
| O5 | C5 | C6 | 109.2° | 109.5° |
| C5 | O5 | C1 | 114.1° | 114.1° |
| O5 | C5 | H24 | 106.8° | 109.5° |
| C4 | C5 | C6 | 115.6° | 109.5° |
| C5 | C4 | C3 | 112.1° | 109.2° |
| C5 | C4 | H23 | 108.2° | 109.6° |
| C4 | C5 | H24 | 105.7° | 109.5° |
| C5 | C6 | O6 | 109.7° | 109.5° |
| C6 | C5 | H24 | 105.9° | 109.5° |
| C5 | C6 | H25 | 109.4° | 109.5° |
| C5 | C6 | H26 | 109.4° | 109.5° |
| O5 | C1 | C2 | 111.4° | 109.4° |
| O5 | C1 | H14 | 109.0° | 109.5° |
| O5 | C1 | H15 | 109.0° | 109.5° |
| CB | CG | CD1 | 111.2° | 109.5° |
| CG | CB | CA | 118.7° | 109.5° |
| CG | CB | H5 | 107.1° | 109.5° |
| CG | CB | H6 | 107.1° | 109.5° |
| CB | CG | H7 | 107.9° | 109.5° |
| CD1 | CG | H7 | 107.9° | 109.4° |
| CG | CD1 | H8 | 109.5° | 109.4° |
| CG | CD1 | H9 | 109.5° | 109.5° |
| CG | CD1 | H10 | 109.4° | 109.4° |
| C4 | C3 | C2 | 112.3° | 109.0° |
| C4 | C3 | O3 | 109.9° | 109.6° |
| C4 | C3 | H22 | 107.8° | 109.6° |
| C3 | C4 | H23 | 108.2° | 109.6° |
| CB | CA | N | 112.4° | 109.5° |
| CB | CA | C | 110.4° | 109.5° |
| CB | CA | H4 | 107.3° | 109.5° |
| CA | CB | H5 | 107.1° | 109.5° |
| CA | CB | H6 | 107.1° | 109.5° |
| C6 | O6 | S | 118.3° | 114.0° |
| O6 | C6 | H25 | 109.4° | 109.5° |
| O6 | C6 | H26 | 109.4° | 109.4° |
| C1 | C2 | C3 | 108.5° | 109.1° |
| C1 | C2 | C7 | 110.3° | 109.5° |
| C2 | C1 | H14 | 109.0° | 109.5° |
| C2 | C1 | H15 | 109.0° | 109.5° |
| C1 | C2 | H20 | 109.0° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.6° |
| C3 | C2 | C7 | 111.4° | 109.6° |
| C3 | C2 | H20 | 108.8° | 109.5° |
| C2 | C3 | H22 | 107.7° | 109.5° |
| O3 | C3 | H22 | 109.1° | 109.6° |
| C3 | O3 | H34 | 109.5° | 114.0° |
| C2 | C7 | C8 | 115.3° | 109.5° |
| C7 | C2 | H20 | 108.8° | 109.6° |
| C2 | C7 | H27 | 108.0° | 109.5° |
| C2 | C7 | H28 | 108.0° | 109.5° |
| N | CA | C | 111.0° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 108.1° | 109.5° |
| CA | C | N3S | 115.8° | 120.0° |
| CA | C | O | 120.9° | 120.0° |
| C | CA | H4 | 107.4° | 109.4° |
| O6 | S | N3S | 107.0° | 107.2° |
| O6 | S | O1S | 106.3° | 106.4° |
| O6 | S | O2S | 104.8° | 106.4° |
| N3S | C | O | 123.2° | 120.0° |
| C | N3S | S | 129.4° | 120.0° |
| C | N3S | H33 | 115.3° | 120.0° |
| C7 | C8 | C9 | 113.8° | 109.5° |
| C8 | C7 | H27 | 108.0° | 109.5° |
| C8 | C7 | H28 | 108.0° | 109.5° |
| C7 | C8 | H29 | 108.4° | 109.5° |
| C7 | C8 | H30 | 108.4° | 109.5° |
| C8 | C9 | N10 | 112.9° | 109.5° |
| C9 | C8 | H29 | 108.4° | 109.5° |
| C9 | C8 | H30 | 108.4° | 109.5° |
| C8 | C9 | H31 | 108.6° | 109.5° |
| C8 | C9 | H32 | 108.6° | 109.5° |
| N3S | S | O1S | 108.7° | 106.4° |
| N3S | S | O2S | 108.1° | 106.4° |
| S | N3S | H33 | 115.3° | 120.0° |
| O1S | S | O2S | 121.1° | 123.1° |
| C9 | N10 | N11 | 120.9° | 125.7° |
| C9 | N10 | C14 | 128.1° | 125.8° |
| N10 | C9 | H31 | 108.6° | 109.5° |
| N10 | C9 | H32 | 108.6° | 109.4° |
| N10 | N11 | N12 | 107.0° | 110.5° |
| N11 | N10 | C14 | 110.9° | 108.5° |
| N11 | N12 | C13 | 109.1° | 108.8° |
| N10 | C14 | C13 | 105.1° | 106.1° |
| N10 | C14 | H16 | 127.5° | 127.0° |
| N12 | C13 | C14 | 107.8° | 106.2° |
| N12 | C13 | C15 | 122.3° | 126.9° |
| C14 | C13 | C15 | 129.9° | 126.9° |
| C13 | C14 | H16 | 127.4° | 127.0° |
| C13 | C15 | C16 | 122.0° | 120.5° |
| C13 | C15 | C20 | 120.8° | 120.6° |
| C15 | C16 | N17 | 123.8° | 120.6° |
| C16 | C15 | C20 | 117.2° | 118.9° |
| C15 | C16 | H17 | 118.1° | 119.7° |
| C16 | N17 | C18 | 117.5° | 121.8° |
| N17 | C16 | H17 | 118.1° | 119.7° |
| C15 | C20 | C19 | 119.9° | 118.3° |
| C15 | C20 | H21 | 120.0° | 120.8° |
| N17 | C18 | C19 | 123.2° | 121.0° |
| N17 | C18 | H18 | 118.4° | 119.5° |
| C20 | C19 | C18 | 118.3° | 119.3° |
| C20 | C19 | H19 | 120.9° | 120.4° |
| C19 | C20 | H21 | 120.1° | 120.9° |
| C19 | C18 | H18 | 118.4° | 119.5° |
| C18 | C19 | H19 | 120.8° | 120.4° |
| H1 | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.4° |
| H8 | CD1 | H9 | 109.5° | 109.5° |
| H8 | CD1 | H10 | 109.5° | 109.5° |
| H9 | CD1 | H10 | 109.5° | 109.5° |
| H11 | CD2 | H12 | 109.4° | 109.5° |
| H11 | CD2 | H13 | 109.5° | 109.4° |
| H12 | CD2 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.4° | 109.5° |
| H25 | C6 | H26 | 109.5° | 109.4° |
| H27 | C7 | H28 | 109.5° | 109.5° |
| H29 | C8 | H30 | 109.5° | 109.5° |
| H31 | C9 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 123.7° | 120.0° |
| CD2 | CG | CB | H7 | 118.1° | 120.0° |
| CD2 | CG | CD1 | H7 | 117.9° | 120.0° |
| CD2 | CG | CB | CA | 168.9° | 65.8° |
| CD2 | CG | CB | H5 | 69.8° | 174.1° |
| CD2 | CG | CB | H6 | 47.6° | 54.1° |
| CD2 | CG | CD1 | H8 | 180.0° | 57.4° |
| CD2 | CG | CD1 | H9 | 60.0° | 177.4° |
| CD2 | CG | CD1 | H10 | 60.0° | 62.6° |
| CG | CD2 | H11 | H12 | 120.0° | 120.0° |
| CG | CD2 | H11 | H13 | 120.0° | 120.0° |
| CG | CD2 | H12 | H13 | 120.0° | 120.0° |
| O4 | C4 | C5 | O5 | 75.8° | 177.6° |
| O4 | C4 | C5 | C3 | 121.8° | 119.9° |
| O4 | C4 | C5 | H23 | 119.0° | 120.1° |
| O4 | C4 | C5 | C6 | 157.5° | 62.4° |
| O4 | C4 | C3 | H23 | 119.6° | 120.1° |
| O4 | C4 | C3 | C2 | 73.7° | 177.0° |
| O4 | C4 | C3 | O3 | 49.1° | 57.1° |
| O4 | C4 | C3 | H22 | 167.9° | 63.2° |
| O4 | C4 | C5 | H24 | 40.7° | 57.6° |
| O5 | C5 | C4 | C6 | 126.7° | 120.0° |
| O5 | C5 | C4 | H24 | 116.5° | 120.0° |
| O5 | C5 | C6 | H24 | 114.7° | 120.0° |
| O5 | C5 | C4 | C3 | 46.0° | 57.6° |
| O5 | C5 | C6 | O6 | 78.9° | 64.9° |
| C5 | O5 | C1 | C2 | 60.2° | 61.1° |
| C5 | O5 | C1 | H14 | 179.5° | 178.9° |
| C5 | O5 | C1 | H15 | 60.1° | 58.9° |
| O5 | C5 | C4 | H23 | 165.2° | 62.3° |
| O5 | C5 | C6 | H25 | 41.1° | 175.0° |
| O5 | C5 | C6 | H26 | 161.0° | 55.0° |
| C4 | C5 | C6 | H24 | 116.7° | 120.0° |
| C4 | C5 | O5 | C1 | 52.9° | 61.1° |
| C5 | C4 | C3 | H23 | 119.2° | 120.0° |
| C4 | C5 | C6 | O6 | 49.7° | 175.1° |
| C5 | C4 | C3 | C2 | 47.6° | 57.1° |
| C5 | C4 | C3 | O3 | 170.3° | 62.9° |
| C5 | C4 | C3 | H22 | 70.9° | 176.9° |
| C4 | C5 | C6 | H25 | 169.8° | 55.0° |
| C4 | C5 | C6 | H26 | 70.4° | 64.9° |
| C5 | C4 | O4 | H35 | 180.0° | 60.2° |
| C6 | C5 | O5 | C1 | 77.2° | 178.9° |
| C6 | C5 | C4 | C3 | 80.8° | 177.6° |
| C5 | C6 | O6 | H25 | 120.0° | 120.1° |
| C5 | C6 | O6 | H26 | 120.1° | 120.0° |
| C5 | C6 | O6 | S | 161.4° | 180.0° |
| C6 | C5 | C4 | H23 | 38.4° | 57.7° |
| C5 | C6 | H25 | H26 | 119.9° | 120.0° |
| O5 | C1 | C2 | H14 | 120.3° | 120.0° |
| O5 | C1 | C2 | H15 | 120.3° | 120.0° |
| O5 | C1 | C2 | C3 | 58.8° | 57.6° |
| O5 | C1 | C2 | C7 | 178.9° | 62.3° |
| O5 | C1 | H14 | H15 | 119.1° | 120.0° |
| O5 | C1 | C2 | H20 | 59.6° | 177.5° |
| C1 | O5 | C5 | H24 | 168.7° | 58.9° |
| CB | CG | CD1 | H7 | 118.1° | 120.0° |
| CG | CB | CA | H5 | 121.3° | 120.0° |
| CG | CB | CA | H6 | 121.3° | 120.0° |
| CG | CB | CA | N | 75.1° | 63.3° |
| CG | CB | CA | C | 160.4° | 176.7° |
| CG | CB | CA | H4 | 43.7° | 56.7° |
| CG | CB | H5 | H6 | 115.8° | 120.0° |
| CB | CG | CD1 | H8 | 56.0° | 177.4° |
| CB | CG | CD1 | H9 | 176.0° | 62.6° |
| CB | CG | CD1 | H10 | 64.0° | 57.4° |
| CB | CG | CD2 | H11 | 180.0° | 60.0° |
| CB | CG | CD2 | H12 | 60.0° | 180.0° |
| CB | CG | CD2 | H13 | 60.0° | 60.0° |
| CD1 | CG | CB | CA | 67.4° | 174.1° |
| CD1 | CG | CB | H5 | 54.0° | 54.1° |
| CD1 | CG | CB | H6 | 171.3° | 65.9° |
| CG | CD1 | H8 | H9 | 120.0° | 120.0° |
| CG | CD1 | H8 | H10 | 120.0° | 120.0° |
| CG | CD1 | H9 | H10 | 120.0° | 120.0° |
| CD1 | CG | CD2 | H11 | 56.0° | 180.0° |
| CD1 | CG | CD2 | H12 | 176.0° | 60.0° |
| CD1 | CG | CD2 | H13 | 64.0° | 60.0° |
| C4 | C3 | C2 | C1 | 53.3° | 57.0° |
| C4 | C3 | C2 | O3 | 122.7° | 119.9° |
| C4 | C3 | C2 | H22 | 118.5° | 119.9° |
| C4 | C3 | O3 | H22 | 117.9° | 120.3° |
| C4 | C3 | C2 | C7 | 174.9° | 62.9° |
| C4 | C3 | C2 | H20 | 65.2° | 176.9° |
| C3 | C4 | C5 | H24 | 162.5° | 62.3° |
| C4 | C3 | O3 | H34 | 180.0° | 60.4° |
| C3 | C4 | O4 | H35 | 56.9° | 179.9° |
| CB | CA | N | C | 124.2° | 120.0° |
| CB | CA | N | H4 | 118.3° | 120.0° |
| CB | CA | C | H4 | 116.7° | 120.0° |
| CB | CA | C | N3S | 114.9° | 79.9° |
| CB | CA | C | O | 65.4° | 100.0° |
| CB | CA | N | H1 | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 115.8° | 120.0° |
| CA | CB | CG | H7 | 50.8° | 54.2° |
| C6 | O6 | S | N3S | 57.1° | 75.1° |
| C6 | O6 | S | O1S | 58.9° | 38.5° |
| C6 | O6 | S | O2S | 171.7° | 171.4° |
| O6 | C6 | C5 | H24 | 166.4° | 55.1° |
| O6 | C6 | H25 | H26 | 119.9° | 119.9° |
| C1 | C2 | C3 | C7 | 121.6° | 119.9° |
| C1 | C2 | C3 | H20 | 118.5° | 119.9° |
| C1 | C2 | C3 | O3 | 176.0° | 62.9° |
| C1 | C2 | C7 | H20 | 119.5° | 120.2° |
| C1 | C2 | C7 | C8 | 132.5° | 65.0° |
| C2 | C1 | H14 | H15 | 119.1° | 120.1° |
| C1 | C2 | C3 | H22 | 65.2° | 176.9° |
| C1 | C2 | C7 | H27 | 11.6° | 55.0° |
| C1 | C2 | C7 | H28 | 106.7° | 175.0° |
| C2 | C3 | O3 | H22 | 117.9° | 120.2° |
| C3 | C2 | C7 | H20 | 119.9° | 120.2° |
| C3 | C2 | C7 | C8 | 107.0° | 175.3° |
| C3 | C2 | C1 | H14 | 179.1° | 177.6° |
| C3 | C2 | C1 | H15 | 61.5° | 62.4° |
| C2 | C3 | C4 | H23 | 166.7° | 62.9° |
| C3 | C2 | C7 | H27 | 132.2° | 64.7° |
| C3 | C2 | C7 | H28 | 13.8° | 55.3° |
| C2 | C3 | O3 | H34 | 55.9° | 180.0° |
| O3 | C3 | C2 | C7 | 62.4° | 177.2° |
| O3 | C3 | C2 | H20 | 57.5° | 57.0° |
| O3 | C3 | C4 | H23 | 70.5° | 177.2° |
| C2 | C7 | C8 | H27 | 120.9° | 120.0° |
| C2 | C7 | C8 | H28 | 120.9° | 120.0° |
| C2 | C7 | C8 | C9 | 174.8° | 180.0° |
| C7 | C2 | C1 | H14 | 58.6° | 57.7° |
| C7 | C2 | C1 | H15 | 60.8° | 177.7° |
| C7 | C2 | C3 | H22 | 56.4° | 57.0° |
| C2 | C7 | H27 | H28 | 117.4° | 120.0° |
| C2 | C7 | C8 | H29 | 54.2° | 60.0° |
| C2 | C7 | C8 | H30 | 64.5° | 60.0° |
| N | CA | C | H4 | 117.9° | 120.0° |
| N | CA | C | N3S | 10.5° | 160.0° |
| N | CA | C | O | 169.2° | 20.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 163.6° | 56.7° |
| N | CA | CB | H6 | 46.2° | 176.7° |
| CA | C | N3S | O | 179.7° | 179.9° |
| CA | C | N3S | S | 180.0° | 180.0° |
| C | CA | N | H1 | 55.8° | 64.0° |
| C | CA | N | H2 | 64.2° | 60.0° |
| C | CA | CB | H5 | 39.1° | 63.3° |
| C | CA | CB | H6 | 78.3° | 56.7° |
| CA | C | N3S | H33 | 0.0° | 0.1° |
| O6 | S | N3S | C | 65.6° | 65.0° |
| O6 | S | N3S | O1S | 114.4° | 113.5° |
| O6 | S | N3S | O2S | 112.4° | 113.6° |
| O6 | S | O1S | O2S | 119.2° | 122.9° |
| S | O6 | C6 | H25 | 78.6° | 59.9° |
| S | O6 | C6 | H26 | 41.4° | 60.0° |
| O6 | S | N3S | H33 | 114.4° | 115.0° |
| C | N3S | S | H33 | 180.0° | 179.9° |
| C | N3S | S | O1S | 180.0° | 178.5° |
| C | N3S | S | O2S | 46.8° | 48.6° |
| N3S | C | CA | H4 | 128.4° | 40.1° |
| O | C | N3S | S | 0.3° | 0.1° |
| O | C | CA | H4 | 51.3° | 140.0° |
| O | C | N3S | H33 | 179.7° | 180.0° |
| C7 | C8 | C9 | H29 | 120.7° | 120.0° |
| C7 | C8 | C9 | H30 | 120.6° | 120.0° |
| C7 | C8 | C9 | N10 | 64.2° | 180.0° |
| C8 | C7 | C2 | H20 | 13.0° | 55.1° |
| C8 | C7 | H27 | H28 | 117.3° | 120.0° |
| C7 | C8 | H29 | H30 | 118.0° | 120.0° |
| C7 | C8 | C9 | H31 | 56.3° | 60.0° |
| C7 | C8 | C9 | H32 | 175.4° | 60.0° |
| C8 | C9 | N10 | H31 | 120.5° | 120.0° |
| C8 | C9 | N10 | H32 | 120.5° | 120.0° |
| C8 | C9 | N10 | N11 | 90.4° | 55.0° |
| C8 | C9 | N10 | C14 | 89.6° | 125.0° |
| C9 | C8 | C7 | H27 | 64.3° | 60.0° |
| C9 | C8 | C7 | H28 | 54.0° | 60.0° |
| C9 | C8 | H29 | H30 | 118.0° | 120.0° |
| C8 | C9 | H31 | H32 | 118.5° | 120.0° |
| N3S | S | O1S | O2S | 126.0° | 122.9° |
| O1S | S | N3S | H33 | 0.0° | 1.4° |
| O2S | S | N3S | H33 | 133.2° | 131.5° |
| C9 | N10 | N11 | C14 | 180.0° | 180.0° |
| C9 | N10 | N11 | N12 | 179.9° | 179.8° |
| C9 | N10 | C14 | C13 | 179.8° | 180.0° |
| C9 | N10 | C14 | H16 | 0.3° | 0.0° |
| N10 | C9 | C8 | H29 | 175.2° | 60.0° |
| N10 | C9 | C8 | H30 | 56.5° | 60.0° |
| N10 | C9 | H31 | H32 | 118.4° | 120.0° |
| N10 | N11 | N12 | C13 | 0.0° | 0.4° |
| N11 | N10 | C14 | C13 | 0.2° | 0.0° |
| N11 | N10 | C14 | H16 | 179.7° | 180.0° |
| N11 | N10 | C9 | H31 | 149.1° | 175.0° |
| N11 | N10 | C9 | H32 | 30.1° | 65.0° |
| N12 | N11 | N10 | C14 | 0.1° | 0.3° |
| N11 | N12 | C13 | C14 | 0.2° | 0.4° |
| N11 | N12 | C13 | C15 | 179.3° | 179.8° |
| N10 | C14 | C13 | N12 | 0.3° | 0.2° |
| N10 | C14 | C13 | H16 | 180.0° | 180.0° |
| N10 | C14 | C13 | C15 | 179.1° | 180.0° |
| C14 | N10 | C9 | H31 | 30.9° | 5.0° |
| C14 | N10 | C9 | H32 | 149.9° | 115.0° |
| N12 | C13 | C14 | C15 | 179.4° | 179.8° |
| N12 | C13 | C15 | C16 | 21.0° | 179.4° |
| N12 | C13 | C15 | C20 | 159.4° | 0.3° |
| N12 | C13 | C14 | H16 | 179.7° | 179.7° |
| C14 | C13 | C15 | C16 | 158.4° | 0.3° |
| C14 | C13 | C15 | C20 | 21.3° | 180.0° |
| C13 | C15 | C16 | C20 | 179.7° | 179.7° |
| C13 | C15 | C16 | N17 | 179.7° | 180.0° |
| C13 | C15 | C20 | C19 | 179.7° | 180.0° |
| C15 | C13 | C14 | H16 | 0.9° | 0.0° |
| C13 | C15 | C16 | H17 | 0.3° | 0.0° |
| C13 | C15 | C20 | H21 | 0.3° | 0.0° |
| C15 | C16 | N17 | H17 | 180.0° | 180.0° |
| C15 | C16 | N17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | C19 | 0.0° | 0.2° |
| C16 | C15 | C20 | H21 | 180.0° | 179.7° |
| N17 | C16 | C15 | C20 | 0.0° | 0.3° |
| C16 | N17 | C18 | C19 | 0.2° | 0.3° |
| C16 | N17 | C18 | H18 | 179.8° | 180.0° |
| C15 | C20 | C19 | H21 | 180.0° | 180.0° |
| C15 | C20 | C19 | C18 | 0.0° | 0.1° |
| C20 | C15 | C16 | H17 | 180.0° | 179.8° |
| C15 | C20 | C19 | H19 | 179.9° | 180.0° |
| N17 | C18 | C19 | C20 | 0.2° | 0.4° |
| N17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | N17 | C16 | H17 | 179.9° | 179.9° |
| N17 | C18 | C19 | H19 | 179.8° | 179.7° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C18 | C19 | C20 | H21 | 179.9° | 180.0° |
| H1 | N | CA | H4 | 61.7° | 56.0° |
| H2 | N | CA | H4 | 178.3° | 180.0° |
| H4 | CA | CB | H5 | 77.6° | 176.7° |
| H4 | CA | CB | H6 | 165.0° | 63.3° |
| H5 | CB | CG | H7 | 172.1° | 65.8° |
| H6 | CB | CG | H7 | 70.5° | 174.2° |
| H7 | CG | CD1 | H8 | 62.1° | 62.6° |
| H7 | CG | CD1 | H9 | 57.9° | 57.4° |
| H7 | CG | CD1 | H10 | 177.8° | 177.4° |
| H7 | CG | CD2 | H11 | 61.9° | 60.1° |
| H7 | CG | CD2 | H12 | 58.1° | 60.0° |
| H7 | CG | CD2 | H13 | 178.1° | 180.0° |
| H8 | CD1 | H9 | H10 | 120.0° | 120.1° |
| H11 | CD2 | H12 | H13 | 120.0° | 119.9° |
| H14 | C1 | C2 | H20 | 60.8° | 62.5° |
| H15 | C1 | C2 | H20 | 179.9° | 57.5° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| H19 | C19 | C20 | H21 | 0.1° | 0.1° |
| H20 | C2 | C3 | H22 | 176.3° | 63.2° |
| H20 | C2 | C7 | H27 | 107.9° | 175.1° |
| H20 | C2 | C7 | H28 | 133.8° | 64.9° |
| H22 | C3 | C4 | H23 | 48.3° | 56.9° |
| H22 | C3 | O3 | H34 | 62.1° | 59.9° |
| H23 | C4 | C5 | H24 | 78.3° | 177.7° |
| H23 | C4 | O4 | H35 | 61.8° | 59.9° |
| H24 | C5 | C6 | H25 | 73.6° | 65.0° |
| H24 | C5 | C6 | H26 | 46.3° | 175.0° |
| H27 | C7 | C8 | H29 | 175.0° | NaN° |
| H27 | C7 | C8 | H30 | 56.3° | 60.0° |
| H28 | C7 | C8 | H29 | 66.7° | 60.0° |
| H28 | C7 | C8 | H30 | 174.6° | 180.0° |
| H29 | C8 | C9 | H31 | 64.3° | 180.0° |
| H29 | C8 | C9 | H32 | 54.7° | 60.0° |
| H30 | C8 | C9 | H31 | 177.0° | 60.0° |
| H30 | C8 | C9 | H32 | 64.0° | 180.0° |
