OW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG | sing | 1.53Å | 1.53Å | |
| 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 | 1.43Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | CD1 | sing | 1.53Å | 1.54Å | |
| 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 | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O6 | S | sing | 1.52Å | 1.60Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C | N3S | sing | 1.35Å | 1.43Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N3S | S | sing | 1.66Å | 1.59Å | |
| O1S | S | doub | 1.42Å | 1.42Å | |
| S | O2S | doub | 1.42Å | 1.42Å | |
| C9 | N10 | sing | 1.46Å | 1.46Å | |
| N11 | N10 | sing | 1.29Å | 1.34Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.31Å | Aromatic |
| N10 | C14 | sing | 1.35Å | 1.35Å | Aromatic |
| N12 | C13 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.49Å | 1.47Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| 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 | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| N | H16 | sing | 1.01Å | 1.00Å | |
| CA | H18 | sing | 1.09Å | 1.10Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CB | H20 | sing | 1.09Å | 1.10Å | |
| CG | H21 | sing | 1.09Å | 1.10Å | |
| CD1 | H22 | sing | 1.09Å | 1.10Å | |
| CD1 | H23 | sing | 1.09Å | 1.10Å | |
| CD1 | H24 | sing | 1.09Å | 1.10Å | |
| CD2 | H25 | sing | 1.09Å | 1.10Å | |
| CD2 | H26 | sing | 1.09Å | 1.10Å | |
| CD2 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.08Å | 1.08Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C20 | H32 | sing | 1.08Å | 1.08Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| N3S | H44 | sing | 0.97Å | 1.00Å | |
| O3 | H45 | sing | 0.97Å | 0.95Å | |
| O4 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 110.4° | 109.5° |
| CD2 | CG | CD1 | 110.7° | 109.4° |
| CD2 | CG | H21 | 108.0° | 109.5° |
| CG | CD2 | H25 | 109.5° | 109.4° |
| CG | CD2 | H26 | 109.5° | 109.4° |
| CG | CD2 | H27 | 109.5° | 109.5° |
| O4 | C4 | C5 | 109.3° | 109.6° |
| O4 | C4 | C3 | 109.6° | 109.5° |
| O4 | C4 | H5 | 109.9° | 109.5° |
| C4 | O4 | H46 | 109.5° | 114.0° |
| O5 | C5 | C4 | 116.0° | 109.4° |
| O5 | C5 | C6 | 109.3° | 109.5° |
| C5 | O5 | C1 | 113.5° | 114.1° |
| O5 | C5 | H6 | 105.9° | 109.5° |
| C4 | C5 | C6 | 114.6° | 109.5° |
| C5 | C4 | C3 | 111.1° | 109.2° |
| C5 | C4 | H5 | 108.4° | 109.6° |
| C4 | C5 | H6 | 104.9° | 109.5° |
| C5 | C6 | O6 | 109.2° | 109.5° |
| C6 | C5 | H6 | 105.0° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.4° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| O5 | C1 | C2 | 112.1° | 109.4° |
| O5 | C1 | H1 | 108.8° | 109.5° |
| O5 | C1 | H2 | 108.8° | 109.5° |
| CB | CG | CD1 | 111.6° | 109.5° |
| CG | CB | CA | 112.5° | 109.4° |
| CG | CB | H19 | 108.7° | 109.5° |
| CG | CB | H20 | 108.7° | 109.5° |
| CB | CG | H21 | 108.1° | 109.5° |
| CD1 | CG | H21 | 107.9° | 109.5° |
| CG | CD1 | H22 | 109.5° | 109.4° |
| CG | CD1 | H23 | 109.5° | 109.5° |
| CG | CD1 | H24 | 109.5° | 109.5° |
| C4 | C3 | C2 | 112.6° | 109.0° |
| C4 | C3 | O3 | 108.6° | 109.6° |
| C4 | C3 | H4 | 108.3° | 109.6° |
| C3 | C4 | H5 | 108.5° | 109.6° |
| CB | CA | N | 112.5° | 109.5° |
| CB | CA | C | 111.0° | 109.5° |
| CB | CA | H18 | 108.5° | 109.5° |
| CA | CB | H19 | 108.7° | 109.5° |
| CA | CB | H20 | 108.7° | 109.5° |
| C6 | O6 | S | 120.1° | 114.0° |
| O6 | C6 | H7 | 109.5° | 109.5° |
| O6 | C6 | H8 | 109.6° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.2° |
| C1 | C2 | C7 | 109.9° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C2 | C1 | H2 | 108.8° | 109.5° |
| C1 | C2 | H3 | 108.9° | 109.5° |
| C3 | C2 | C7 | 111.2° | 109.5° |
| C2 | C3 | O3 | 109.4° | 109.5° |
| C3 | C2 | H3 | 108.7° | 109.6° |
| C2 | C3 | H4 | 108.2° | 109.5° |
| C2 | C7 | C8 | 114.8° | 109.5° |
| C7 | C2 | H3 | 108.7° | 109.6° |
| C2 | C7 | H9 | 108.1° | 109.5° |
| C2 | C7 | H10 | 108.1° | 109.5° |
| O3 | C3 | H4 | 109.7° | 109.5° |
| C3 | O3 | H45 | 109.5° | 114.0° |
| N | CA | C | 107.0° | 109.5° |
| CA | N | H15 | 109.5° | 111.0° |
| CA | N | H16 | 109.5° | 111.1° |
| N | CA | H18 | 109.3° | 109.5° |
| CA | C | N3S | 116.6° | 120.0° |
| CA | C | O | 125.2° | 120.0° |
| C | CA | H18 | 108.5° | 109.5° |
| O6 | S | N3S | 104.9° | 107.2° |
| O6 | S | O1S | 106.5° | 106.4° |
| O6 | S | O2S | 102.7° | 106.4° |
| C7 | C8 | C9 | 114.0° | 109.5° |
| C8 | C7 | H9 | 108.1° | 109.5° |
| C8 | C7 | H10 | 108.1° | 109.5° |
| C7 | C8 | H11 | 108.3° | 109.5° |
| C7 | C8 | H12 | 108.3° | 109.5° |
| C8 | C9 | N10 | 112.3° | 109.5° |
| C9 | C8 | H11 | 108.3° | 109.5° |
| C9 | C8 | H12 | 108.3° | 109.4° |
| C8 | C9 | H13 | 108.7° | 109.5° |
| C8 | C9 | H14 | 108.7° | 109.4° |
| N3S | C | O | 118.3° | 120.0° |
| C | N3S | S | 127.3° | 120.0° |
| C | N3S | H44 | 116.3° | 120.0° |
| N3S | S | O1S | 106.7° | 106.4° |
| N3S | S | O2S | 113.6° | 106.4° |
| S | N3S | H44 | 116.3° | 120.0° |
| O1S | S | O2S | 121.0° | 123.2° |
| C9 | N10 | N11 | 121.1° | 125.8° |
| C9 | N10 | C14 | 128.1° | 125.7° |
| N10 | C9 | H13 | 108.8° | 109.5° |
| N10 | C9 | H14 | 108.8° | 109.5° |
| N10 | N11 | N12 | 107.2° | 110.5° |
| N11 | N10 | C14 | 110.8° | 108.5° |
| N11 | N12 | C13 | 109.0° | 108.7° |
| N10 | C14 | C13 | 105.2° | 106.0° |
| N10 | C14 | H28 | 127.4° | 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 | H28 | 127.4° | 127.0° |
| C13 | C15 | C16 | 120.9° | 120.1° |
| C13 | C15 | C20 | 120.7° | 120.1° |
| C15 | C16 | C17 | 120.7° | 119.9° |
| C16 | C15 | C20 | 118.4° | 119.8° |
| C15 | C16 | H29 | 119.7° | 120.0° |
| C16 | C17 | C18 | 121.1° | 120.1° |
| C17 | C16 | H29 | 119.7° | 120.1° |
| C16 | C17 | H30 | 119.5° | 119.9° |
| C15 | C20 | C19 | 120.6° | 119.9° |
| C15 | C20 | H32 | 119.7° | 120.1° |
| C17 | C18 | C19 | 118.2° | 120.2° |
| C17 | C18 | C21 | 120.8° | 119.9° |
| C18 | C17 | H30 | 119.4° | 119.9° |
| C20 | C19 | C18 | 121.0° | 120.1° |
| C20 | C19 | H31 | 119.5° | 120.0° |
| C19 | C20 | H32 | 119.7° | 120.0° |
| C19 | C18 | C21 | 121.0° | 119.9° |
| C18 | C19 | H31 | 119.5° | 119.9° |
| C18 | C21 | C22 | 114.2° | 109.5° |
| C18 | C21 | H33 | 108.3° | 109.5° |
| C18 | C21 | H34 | 108.3° | 109.5° |
| C21 | C22 | C23 | 113.7° | 109.5° |
| C22 | C21 | H33 | 108.3° | 109.4° |
| C22 | C21 | H34 | 108.3° | 109.4° |
| C21 | C22 | H35 | 108.4° | 109.5° |
| C21 | C22 | H36 | 108.4° | 109.4° |
| C22 | C23 | C24 | 113.7° | 109.5° |
| C23 | C22 | H35 | 108.4° | 109.5° |
| C23 | C22 | H36 | 108.4° | 109.4° |
| C22 | C23 | H37 | 108.4° | 109.5° |
| C22 | C23 | H38 | 108.4° | 109.4° |
| C23 | C24 | C25 | 113.5° | 109.5° |
| C24 | C23 | H37 | 108.4° | 109.5° |
| C24 | C23 | H38 | 108.4° | 109.4° |
| C23 | C24 | H39 | 108.4° | 109.5° |
| C23 | C24 | H40 | 108.5° | 109.5° |
| C25 | C24 | H39 | 108.5° | 109.5° |
| C25 | C24 | H40 | 108.5° | 109.4° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C24 | C25 | H42 | 109.4° | 109.4° |
| C24 | C25 | H43 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.4° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.4° |
| H15 | N | H16 | 109.5° | 111.0° |
| H19 | CB | H20 | 109.4° | 109.5° |
| H22 | CD1 | H23 | 109.5° | 109.5° |
| H22 | CD1 | H24 | 109.5° | 109.5° |
| H23 | CD1 | H24 | 109.4° | 109.5° |
| H25 | CD2 | H26 | 109.5° | 109.5° |
| H25 | CD2 | H27 | 109.5° | 109.5° |
| H26 | CD2 | H27 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.4° | 109.4° |
| H35 | C22 | H36 | 109.5° | 109.4° |
| H37 | C23 | H38 | 109.5° | 109.5° |
| H39 | C24 | H40 | 109.5° | 109.4° |
| H41 | C25 | H42 | 109.4° | 109.4° |
| H41 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 123.6° | 119.9° |
| CD2 | CG | CB | H21 | 118.0° | 120.1° |
| CD2 | CG | CD1 | H21 | 118.0° | 120.0° |
| CD2 | CG | CB | CA | 162.3° | 65.9° |
| CD2 | CG | CB | H19 | 77.3° | 174.1° |
| CD2 | CG | CB | H20 | 41.8° | 54.1° |
| CD2 | CG | CD1 | H22 | 180.0° | 177.4° |
| CD2 | CG | CD1 | H23 | 60.0° | 62.6° |
| CD2 | CG | CD1 | H24 | 60.0° | 57.4° |
| CG | CD2 | H25 | H26 | 120.0° | 120.0° |
| CG | CD2 | H25 | H27 | 120.0° | 120.0° |
| CG | CD2 | H26 | H27 | 120.0° | 120.0° |
| O4 | C4 | C5 | O5 | 76.8° | 177.6° |
| O4 | C4 | C5 | C3 | 121.1° | 119.9° |
| O4 | C4 | C5 | H5 | 119.8° | 120.1° |
| O4 | C4 | C5 | C6 | 154.3° | 62.5° |
| O4 | C4 | C3 | H5 | 120.0° | 120.1° |
| O4 | C4 | C3 | C2 | 75.0° | 177.0° |
| O4 | C4 | C3 | O3 | 46.3° | 57.1° |
| O4 | C4 | C3 | H4 | 165.4° | 63.2° |
| O4 | C4 | C5 | H6 | 39.7° | 57.5° |
| O5 | C5 | C4 | C6 | 128.9° | 119.9° |
| O5 | C5 | C4 | H6 | 116.5° | 120.0° |
| O5 | C5 | C6 | H6 | 113.3° | 120.1° |
| O5 | C5 | C4 | C3 | 44.3° | 57.7° |
| O5 | C5 | C6 | O6 | 77.7° | 65.0° |
| C5 | O5 | C1 | C2 | 56.9° | 61.1° |
| C5 | O5 | C1 | H1 | 177.3° | 178.8° |
| C5 | O5 | C1 | H2 | 63.5° | 58.8° |
| O5 | C5 | C4 | H5 | 163.5° | 62.3° |
| O5 | C5 | C6 | H7 | 42.2° | 175.0° |
| O5 | C5 | C6 | H8 | 162.3° | 55.0° |
| C4 | C5 | C6 | H6 | 114.6° | 120.0° |
| C4 | C5 | O5 | C1 | 50.2° | 61.2° |
| C5 | C4 | C3 | H5 | 119.1° | 120.0° |
| C4 | C5 | C6 | O6 | 54.5° | 175.1° |
| C5 | C4 | C3 | C2 | 45.9° | 57.0° |
| C5 | C4 | C3 | O3 | 167.3° | 62.9° |
| C5 | C4 | C3 | H4 | 73.7° | 176.9° |
| C4 | C5 | C6 | H7 | 174.4° | 55.1° |
| C4 | C5 | C6 | H8 | 65.5° | 64.9° |
| C5 | C4 | O4 | H46 | 180.0° | 60.3° |
| C6 | C5 | O5 | C1 | 81.1° | 178.9° |
| C6 | C5 | C4 | C3 | 84.6° | 177.6° |
| C5 | C6 | O6 | H7 | 120.0° | 120.0° |
| C5 | C6 | O6 | H8 | 119.9° | 120.0° |
| C5 | C6 | O6 | S | 162.5° | 180.0° |
| C6 | C5 | C4 | H5 | 34.6° | 57.6° |
| C5 | C6 | H7 | H8 | 120.1° | 120.0° |
| O5 | C1 | C2 | H1 | 120.4° | 120.1° |
| O5 | C1 | C2 | H2 | 120.4° | 119.9° |
| O5 | C1 | C2 | C3 | 58.0° | 57.6° |
| O5 | C1 | C2 | C7 | 179.6° | 62.4° |
| O5 | C1 | H1 | H2 | 118.8° | 120.0° |
| O5 | C1 | C2 | H3 | 60.7° | 177.5° |
| C1 | O5 | C5 | H6 | 166.2° | 58.8° |
| CB | CG | CD1 | H21 | 118.6° | 120.0° |
| CG | CB | CA | H19 | 120.5° | 120.0° |
| CG | CB | CA | H20 | 120.5° | 120.0° |
| CG | CB | CA | N | 76.1° | 63.3° |
| CG | CB | CA | C | 164.0° | 176.7° |
| CG | CB | CA | H18 | 44.9° | 56.8° |
| CG | CB | H19 | H20 | 118.6° | 120.1° |
| CB | CG | CD1 | H22 | 56.6° | 62.6° |
| CB | CG | CD1 | H23 | 176.6° | 57.3° |
| CB | CG | CD1 | H24 | 63.4° | 177.4° |
| CB | CG | CD2 | H25 | 180.0° | 60.1° |
| CB | CG | CD2 | H26 | 60.0° | 180.0° |
| CB | CG | CD2 | H27 | 60.0° | 59.9° |
| CD1 | CG | CB | CA | 74.2° | 174.2° |
| CD1 | CG | CB | H19 | 46.3° | 54.2° |
| CD1 | CG | CB | H20 | 165.4° | 65.9° |
| CG | CD1 | H22 | H23 | 120.0° | 120.0° |
| CG | CD1 | H22 | H24 | 120.0° | 120.0° |
| CG | CD1 | H23 | H24 | 120.0° | 120.0° |
| CD1 | CG | CD2 | H25 | 55.9° | 180.0° |
| CD1 | CG | CD2 | H26 | 175.9° | 60.0° |
| CD1 | CG | CD2 | H27 | 64.1° | 60.0° |
| C4 | C3 | C2 | C1 | 53.1° | 57.0° |
| C4 | C3 | C2 | O3 | 120.9° | 119.9° |
| C4 | C3 | C2 | H4 | 119.7° | 120.0° |
| C4 | C3 | C2 | C7 | 174.7° | 62.9° |
| C4 | C3 | O3 | H4 | 118.2° | 120.3° |
| C4 | C3 | C2 | H3 | 65.7° | 176.8° |
| C3 | C4 | C5 | H6 | 160.8° | 62.4° |
| C4 | C3 | O3 | H45 | 180.0° | 60.5° |
| C3 | C4 | O4 | H46 | 58.0° | 180.0° |
| CB | CA | N | C | 122.2° | 120.0° |
| CB | CA | N | H18 | 120.5° | 120.0° |
| CB | CA | C | H18 | 119.1° | 120.0° |
| CB | CA | C | N3S | 113.2° | 80.0° |
| CB | CA | C | O | 67.7° | 100.0° |
| CB | CA | N | H15 | 180.0° | 176.0° |
| CB | CA | N | H16 | 60.0° | 60.0° |
| CA | CB | H19 | H20 | 118.6° | 120.0° |
| CA | CB | CG | H21 | 44.3° | 54.2° |
| C6 | O6 | S | N3S | 51.1° | 75.0° |
| C6 | O6 | S | O1S | 61.8° | 38.5° |
| C6 | O6 | S | O2S | 170.1° | 171.5° |
| O6 | C6 | C5 | H6 | 169.0° | 55.0° |
| O6 | C6 | H7 | H8 | 120.1° | 120.0° |
| C1 | C2 | C3 | C7 | 121.6° | 119.9° |
| C1 | C2 | C3 | H3 | 118.8° | 119.9° |
| C1 | C2 | C7 | H3 | 119.1° | 120.1° |
| C1 | C2 | C3 | O3 | 174.0° | 62.9° |
| C1 | C2 | C7 | C8 | 138.2° | 65.0° |
| C2 | C1 | H1 | H2 | 118.8° | 120.0° |
| C1 | C2 | C3 | H4 | 66.6° | 176.9° |
| C1 | C2 | C7 | H9 | 17.4° | 55.0° |
| C1 | C2 | C7 | H10 | 101.0° | 175.0° |
| C3 | C2 | C7 | H3 | 119.6° | 120.2° |
| C2 | C3 | O3 | H4 | 118.6° | 120.1° |
| C3 | C2 | C7 | C8 | 100.4° | 175.3° |
| C3 | C2 | C1 | H1 | 178.4° | 177.6° |
| C3 | C2 | C1 | H2 | 62.4° | 62.4° |
| C2 | C3 | C4 | H5 | 165.1° | 62.9° |
| C3 | C2 | C7 | H9 | 138.8° | 64.7° |
| C3 | C2 | C7 | H10 | 20.3° | 55.3° |
| C2 | C3 | O3 | H45 | 56.8° | 180.0° |
| C7 | C2 | C3 | O3 | 64.4° | 177.2° |
| C2 | C7 | C8 | H9 | 120.8° | 120.0° |
| C2 | C7 | C8 | H10 | 120.8° | 120.0° |
| C2 | C7 | C8 | C9 | 173.5° | 180.0° |
| C7 | C2 | C1 | H1 | 59.2° | 57.7° |
| C7 | C2 | C1 | H2 | 60.0° | 177.7° |
| C7 | C2 | C3 | H4 | 55.0° | 57.0° |
| C2 | C7 | H9 | H10 | 117.6° | 120.0° |
| C2 | C7 | C8 | H11 | 52.8° | 60.0° |
| C2 | C7 | C8 | H12 | 65.8° | 60.0° |
| O3 | C3 | C2 | H3 | 55.1° | 56.9° |
| O3 | C3 | C4 | H5 | 73.6° | 177.2° |
| N | CA | C | H18 | 117.8° | 120.0° |
| N | CA | C | N3S | 9.9° | 160.0° |
| N | CA | C | O | 169.3° | 20.0° |
| CA | N | H15 | H16 | 120.0° | 124.0° |
| N | CA | CB | H19 | 163.4° | 56.7° |
| N | CA | CB | H20 | 44.3° | 176.7° |
| CA | C | N3S | O | 179.2° | 180.0° |
| CA | C | N3S | S | 179.9° | 180.0° |
| C | CA | N | H15 | 57.8° | 64.0° |
| C | CA | N | H16 | 62.2° | 60.0° |
| C | CA | CB | H19 | 43.6° | 63.3° |
| C | CA | CB | H20 | 75.5° | 56.7° |
| CA | C | N3S | H44 | 0.1° | 0.0° |
| O6 | S | N3S | C | 70.4° | 65.0° |
| O6 | S | N3S | O1S | 112.7° | 113.5° |
| O6 | S | N3S | O2S | 111.3° | 113.5° |
| O6 | S | O1S | O2S | 116.4° | 122.9° |
| S | O6 | C6 | H7 | 77.5° | 60.0° |
| S | O6 | C6 | H8 | 42.6° | 60.0° |
| O6 | S | N3S | H44 | 109.6° | 115.0° |
| C7 | C8 | C9 | H11 | 120.7° | 120.0° |
| C7 | C8 | C9 | H12 | 120.7° | 120.0° |
| C7 | C8 | C9 | N10 | 55.5° | 180.0° |
| C8 | C7 | C2 | H3 | 19.1° | 55.1° |
| C8 | C7 | H9 | H10 | 117.6° | 120.0° |
| C7 | C8 | H11 | H12 | 117.9° | 120.0° |
| C7 | C8 | C9 | H13 | 64.9° | 60.0° |
| C7 | C8 | C9 | H14 | 175.9° | 60.0° |
| C8 | C9 | N10 | H13 | 120.4° | 120.0° |
| C8 | C9 | N10 | H14 | 120.4° | 120.0° |
| C8 | C9 | N10 | N11 | 89.0° | 55.0° |
| C8 | C9 | N10 | C14 | 91.8° | 125.1° |
| C9 | C8 | C7 | H9 | 65.8° | 60.0° |
| C9 | C8 | C7 | H10 | 52.7° | 60.0° |
| C9 | C8 | H11 | H12 | 117.9° | 119.9° |
| C8 | C9 | H13 | H14 | 118.7° | 119.9° |
| C | N3S | S | H44 | 180.0° | 179.9° |
| C | N3S | S | O1S | 176.8° | 178.5° |
| C | N3S | S | O2S | 40.9° | 48.5° |
| N3S | C | CA | H18 | 127.7° | 40.0° |
| O | C | N3S | S | 0.6° | 0.0° |
| O | C | CA | H18 | 51.5° | 140.0° |
| O | C | N3S | H44 | 179.3° | 180.0° |
| N3S | S | O1S | O2S | 132.0° | 123.0° |
| O1S | S | N3S | H44 | 3.1° | 1.5° |
| O2S | S | N3S | H44 | 139.1° | 131.5° |
| C9 | N10 | N11 | C14 | 179.4° | 179.9° |
| C9 | N10 | N11 | N12 | 179.3° | 179.7° |
| C9 | N10 | C14 | C13 | 179.2° | 180.0° |
| N10 | C9 | C8 | H11 | 176.2° | 60.0° |
| N10 | C9 | C8 | H12 | 65.1° | 60.0° |
| N10 | C9 | H13 | H14 | 118.7° | 120.0° |
| C9 | N10 | C14 | H28 | 0.8° | 0.0° |
| N10 | N11 | N12 | C13 | 0.0° | 0.5° |
| N11 | N10 | C14 | C13 | 0.1° | 0.0° |
| N11 | N10 | C9 | H13 | 150.6° | 175.1° |
| N11 | N10 | C9 | H14 | 31.4° | 65.0° |
| N11 | N10 | C14 | H28 | 179.9° | 180.0° |
| N12 | N11 | N10 | C14 | 0.1° | 0.3° |
| N11 | N12 | C13 | C14 | 0.1° | 0.5° |
| N11 | N12 | C13 | C15 | 179.4° | 179.8° |
| N10 | C14 | C13 | N12 | 0.1° | 0.3° |
| N10 | C14 | C13 | H28 | 180.0° | 180.0° |
| N10 | C14 | C13 | C15 | 179.3° | 180.0° |
| C14 | N10 | C9 | H13 | 28.6° | 5.0° |
| C14 | N10 | C9 | H14 | 147.8° | 115.0° |
| N12 | C13 | C14 | C15 | 179.4° | 179.7° |
| N12 | C13 | C15 | C16 | 27.4° | 179.4° |
| N12 | C13 | C15 | C20 | 152.0° | 0.3° |
| N12 | C13 | C14 | H28 | 179.9° | 179.7° |
| C14 | C13 | C15 | C16 | 153.4° | 0.3° |
| C14 | C13 | C15 | C20 | 27.2° | 180.0° |
| C13 | C15 | C16 | C20 | 179.4° | 179.7° |
| C13 | C15 | C16 | C17 | 178.7° | 180.0° |
| C13 | C15 | C20 | C19 | 178.8° | 179.7° |
| C15 | C13 | C14 | H28 | 0.8° | 0.0° |
| C13 | C15 | C16 | H29 | 1.3° | 0.1° |
| C13 | C15 | C20 | H32 | 1.2° | 0.0° |
| C15 | C16 | C17 | H29 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | C19 | 0.7° | 0.6° |
| C15 | C16 | C17 | H30 | 179.9° | 180.0° |
| C16 | C15 | C20 | H32 | 179.4° | 179.7° |
| C17 | C16 | C15 | C20 | 0.8° | 0.3° |
| C16 | C17 | C18 | H30 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.1° | 0.0° |
| C16 | C17 | C18 | C21 | 176.8° | 180.0° |
| C15 | C20 | C19 | H32 | 180.0° | 179.7° |
| C15 | C20 | C19 | C18 | 0.3° | 0.6° |
| C20 | C15 | C16 | H29 | 179.2° | 179.8° |
| C15 | C20 | C19 | H31 | 179.7° | 179.7° |
| C17 | C18 | C19 | C20 | 1.2° | 0.3° |
| C17 | C18 | C19 | C21 | 177.8° | 180.0° |
| C17 | C18 | C21 | C22 | 121.1° | 90.0° |
| C18 | C17 | C16 | H29 | 179.9° | 179.9° |
| C17 | C18 | C19 | H31 | 178.8° | 180.0° |
| C17 | C18 | C21 | H33 | 118.2° | 150.0° |
| C17 | C18 | C21 | H34 | 0.4° | 30.0° |
| C20 | C19 | C18 | H31 | 180.0° | 179.7° |
| C20 | C19 | C18 | C21 | 176.7° | 179.7° |
| C19 | C18 | C21 | C22 | 61.1° | 90.1° |
| C19 | C18 | C17 | H30 | 179.0° | 179.9° |
| C18 | C19 | C20 | H32 | 179.7° | 179.7° |
| C19 | C18 | C21 | H33 | 59.6° | 30.0° |
| C19 | C18 | C21 | H34 | 178.2° | 150.0° |
| C18 | C21 | C22 | H33 | 120.7° | 120.1° |
| C18 | C21 | C22 | H34 | 120.7° | 120.0° |
| C18 | C21 | C22 | C23 | 161.0° | 180.0° |
| C21 | C18 | C17 | H30 | 3.2° | 0.0° |
| C21 | C18 | C19 | H31 | 3.3° | 0.0° |
| C18 | C21 | H33 | H34 | 117.9° | 120.1° |
| C18 | C21 | C22 | H35 | 40.3° | 59.9° |
| C18 | C21 | C22 | H36 | 78.4° | 60.0° |
| C21 | C22 | C23 | H35 | 120.6° | 120.1° |
| C21 | C22 | C23 | H36 | 120.6° | 120.0° |
| C21 | C22 | C23 | C24 | 173.7° | 180.0° |
| C22 | C21 | H33 | H34 | 117.8° | 119.9° |
| C21 | C22 | H35 | H36 | 118.1° | 120.0° |
| C21 | C22 | C23 | H37 | 65.7° | 60.0° |
| C21 | C22 | C23 | H38 | 53.1° | 60.0° |
| C22 | C23 | C24 | H37 | 120.6° | 120.0° |
| C22 | C23 | C24 | H38 | 120.6° | 119.9° |
| C22 | C23 | C24 | C25 | 169.3° | 180.0° |
| C23 | C22 | C21 | H33 | 78.3° | 59.9° |
| C23 | C22 | C21 | H34 | 40.3° | 60.0° |
| C23 | C22 | H35 | H36 | 118.1° | 120.0° |
| C22 | C23 | H37 | H38 | 118.1° | 120.0° |
| C22 | C23 | C24 | H39 | 48.6° | 60.0° |
| C22 | C23 | C24 | H40 | 70.1° | 60.0° |
| C23 | C24 | C25 | H39 | 120.6° | 120.1° |
| C23 | C24 | C25 | H40 | 120.6° | 120.0° |
| C24 | C23 | C22 | H35 | 53.1° | 59.9° |
| C24 | C23 | C22 | H36 | 65.7° | 60.0° |
| C24 | C23 | H37 | H38 | 118.1° | 120.0° |
| C23 | C24 | H39 | H40 | 118.2° | 120.0° |
| C23 | C24 | C25 | H41 | 180.0° | 59.9° |
| C23 | C24 | C25 | H42 | 60.0° | 60.0° |
| C23 | C24 | C25 | H43 | 60.0° | 180.0° |
| C25 | C24 | C23 | H37 | 70.1° | 60.0° |
| C25 | C24 | C23 | H38 | 48.7° | 60.0° |
| C25 | C24 | H39 | H40 | 118.2° | 119.9° |
| C24 | C25 | H41 | H42 | 120.0° | 119.9° |
| C24 | C25 | H41 | H43 | 120.0° | 120.1° |
| C24 | C25 | H42 | H43 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 59.7° | 62.5° |
| H2 | C1 | C2 | H3 | 178.9° | 57.5° |
| H3 | C2 | C3 | H4 | 174.6° | 63.2° |
| H3 | C2 | C7 | H9 | 101.7° | 175.1° |
| H3 | C2 | C7 | H10 | 139.9° | 64.9° |
| H4 | C3 | C4 | H5 | 45.4° | 56.9° |
| H4 | C3 | O3 | H45 | 61.8° | 59.9° |
| H5 | C4 | C5 | H6 | 80.0° | 177.7° |
| H5 | C4 | O4 | H46 | 61.1° | 59.9° |
| H6 | C5 | C6 | H7 | 71.0° | 64.9° |
| H6 | C5 | C6 | H8 | 49.0° | 175.1° |
| H9 | C7 | C8 | H11 | 173.6° | 180.0° |
| H9 | C7 | C8 | H12 | 54.9° | 60.0° |
| H10 | C7 | C8 | H11 | 68.0° | 60.0° |
| H10 | C7 | C8 | H12 | 173.4° | 180.0° |
| H11 | C8 | C9 | H13 | 55.8° | 180.0° |
| H11 | C8 | C9 | H14 | 63.4° | 60.1° |
| H12 | C8 | C9 | H13 | 174.5° | 60.0° |
| H12 | C8 | C9 | H14 | 55.3° | 180.0° |
| H15 | N | CA | H18 | 59.4° | 56.0° |
| H16 | N | CA | H18 | 179.5° | 180.0° |
| H18 | CA | CB | H19 | 75.6° | 176.7° |
| H18 | CA | CB | H20 | 165.3° | 63.2° |
| H19 | CB | CG | H21 | 164.7° | 65.8° |
| H20 | CB | CG | H21 | 76.2° | 174.1° |
| H21 | CG | CD1 | H22 | 62.0° | 57.4° |
| H21 | CG | CD1 | H23 | 58.0° | 177.4° |
| H21 | CG | CD1 | H24 | 178.0° | 62.6° |
| H21 | CG | CD2 | H25 | 62.0° | 60.0° |
| H21 | CG | CD2 | H26 | 58.0° | 60.0° |
| H21 | CG | CD2 | H27 | 178.0° | 180.0° |
| H22 | CD1 | H23 | H24 | 120.0° | 120.1° |
| H25 | CD2 | H26 | H27 | 120.0° | 120.0° |
| H29 | C16 | C17 | H30 | 0.1° | 0.0° |
| H31 | C19 | C20 | H32 | 0.3° | 0.0° |
| H33 | C21 | C22 | H35 | 161.0° | 180.0° |
| H33 | C21 | C22 | H36 | 42.3° | 60.1° |
| H34 | C21 | C22 | H35 | 80.4° | 60.1° |
| H34 | C21 | C22 | H36 | 160.9° | 180.0° |
| H35 | C22 | C23 | H37 | 173.7° | 180.0° |
| H35 | C22 | C23 | H38 | 67.5° | 60.0° |
| H36 | C22 | C23 | H37 | 54.9° | 60.0° |
| H36 | C22 | C23 | H38 | 173.7° | 180.0° |
| H37 | C23 | C24 | H39 | 169.2° | 180.0° |
| H37 | C23 | C24 | H40 | 50.5° | 60.0° |
| H38 | C23 | C24 | H39 | 72.0° | 60.0° |
| H38 | C23 | C24 | H40 | 169.3° | 180.0° |
| H39 | C24 | C25 | H41 | 59.4° | 180.0° |
| H39 | C24 | C25 | H42 | 179.4° | 60.1° |
| H39 | C24 | C25 | H43 | 60.6° | 59.9° |
| H40 | C24 | C25 | H41 | 59.4° | 60.1° |
| H40 | C24 | C25 | H42 | 60.6° | 180.0° |
| H40 | C24 | C25 | H43 | 179.4° | 60.0° |
| H41 | C25 | H42 | H43 | 120.0° | 120.0° |
