OW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | CG | sing | 1.53Å | 1.52Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.55Å | |
| 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 | |
| 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 | |
| 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 | 1.48Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| O6 | S | sing | 1.52Å | 1.60Å | |
| C | N3S | sing | 1.35Å | 1.44Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N3S | S | sing | 1.66Å | 1.60Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| S | O1S | doub | 1.42Å | 1.42Å | |
| S | O2S | doub | 1.42Å | 1.42Å | |
| N11 | N12 | doub | 1.29Å | 1.31Å | Aromatic |
| N11 | N10 | sing | 1.29Å | 1.34Å | Aromatic |
| C9 | N10 | sing | 1.46Å | 1.46Å | |
| N12 | C13 | sing | 1.34Å | 1.36Å | Aromatic |
| N10 | C14 | sing | 1.35Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.36Å | Aromatic |
| C13 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | N16 | sing | 1.47Å | 1.45Å | |
| O17 | C17 | doub | 1.22Å | 1.23Å | |
| N16 | C17 | sing | 1.35Å | 1.35Å | |
| C17 | N18 | sing | 1.35Å | 1.35Å | |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C25 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| CA | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CB | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 1.01Å | 1.00Å | |
| N | H19 | sing | 1.01Å | 1.00Å | |
| 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 | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| C23 | H34 | sing | 1.08Å | 1.08Å | |
| C24 | H35 | sing | 1.08Å | 1.08Å | |
| C25 | H36 | sing | 1.08Å | 1.08Å | |
| N16 | H37 | sing | 0.97Å | 1.00Å | |
| N3S | H38 | sing | 0.97Å | 1.00Å | |
| O3 | H39 | sing | 0.97Å | 0.95Å | |
| O4 | H40 | sing | 0.97Å | 0.95Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N18 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CG | CB | 110.3° | 109.5° |
| CD1 | CG | CD2 | 109.7° | 109.5° |
| CD1 | CG | H21 | 108.6° | 109.4° |
| CG | CD1 | H22 | 109.5° | 109.4° |
| CG | CD1 | H23 | 109.4° | 109.4° |
| CG | CD1 | H24 | 109.5° | 109.5° |
| O4 | C4 | C5 | 108.9° | 109.6° |
| O4 | C4 | C3 | 108.1° | 109.5° |
| O4 | C4 | H11 | 110.2° | 109.5° |
| C4 | O4 | H40 | 109.5° | 114.0° |
| CB | CG | CD2 | 111.5° | 109.5° |
| CG | CB | CA | 119.6° | 109.5° |
| CG | CB | H16 | 106.9° | 109.5° |
| CG | CB | H17 | 106.9° | 109.5° |
| CB | CG | H21 | 108.5° | 109.5° |
| CD2 | CG | H21 | 108.2° | 109.5° |
| CG | CD2 | H25 | 109.5° | 109.5° |
| CG | CD2 | H26 | 109.5° | 109.5° |
| CG | CD2 | H27 | 109.5° | 109.5° |
| O5 | C5 | C4 | 114.1° | 109.4° |
| O5 | C5 | C6 | 109.9° | 109.5° |
| C5 | O5 | C1 | 114.5° | 114.1° |
| O5 | C5 | H12 | 105.9° | 109.5° |
| C4 | C5 | C6 | 116.1° | 109.5° |
| C5 | C4 | C3 | 111.7° | 109.2° |
| C5 | C4 | H11 | 108.8° | 109.5° |
| C4 | C5 | H12 | 104.9° | 109.5° |
| C5 | C6 | O6 | 109.4° | 109.5° |
| C6 | C5 | H12 | 104.9° | 109.5° |
| C5 | C6 | H13 | 109.5° | 109.5° |
| C5 | C6 | H14 | 109.5° | 109.5° |
| O5 | C1 | C2 | 113.0° | 109.4° |
| O5 | C1 | H7 | 108.6° | 109.5° |
| O5 | C1 | H8 | 108.6° | 109.5° |
| C4 | C3 | C2 | 112.0° | 109.0° |
| C4 | C3 | O3 | 107.6° | 109.6° |
| C4 | C3 | H10 | 108.7° | 109.6° |
| C3 | C4 | H11 | 109.0° | 109.6° |
| CB | CA | N | 113.6° | 109.5° |
| CB | CA | C | 112.5° | 109.5° |
| CB | CA | H15 | 108.2° | 109.4° |
| CA | CB | H16 | 106.9° | 109.5° |
| CA | CB | H17 | 106.9° | 109.5° |
| C6 | O6 | S | 119.4° | 114.0° |
| O6 | C6 | H13 | 109.5° | 109.5° |
| O6 | C6 | H14 | 109.5° | 109.4° |
| C1 | C2 | C3 | 109.1° | 109.2° |
| C1 | C2 | C7 | 103.6° | 109.5° |
| C2 | C1 | H7 | 108.6° | 109.5° |
| C2 | C1 | H8 | 108.6° | 109.4° |
| C1 | C2 | H9 | 110.8° | 109.5° |
| C3 | C2 | C7 | 112.0° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.5° |
| C3 | C2 | H9 | 110.6° | 109.5° |
| C2 | C3 | H10 | 108.5° | 109.5° |
| C2 | C7 | C8 | 115.8° | 109.5° |
| C2 | C7 | H5 | 107.9° | 109.4° |
| C2 | C7 | H6 | 107.9° | 109.5° |
| C7 | C2 | H9 | 110.6° | 109.6° |
| O3 | C3 | H10 | 109.9° | 109.6° |
| C3 | O3 | H39 | 109.5° | 114.0° |
| N | CA | C | 105.6° | 109.5° |
| N | CA | H15 | 108.8° | 109.5° |
| CA | N | H18 | 109.5° | 111.0° |
| CA | N | H19 | 109.5° | 111.0° |
| CA | C | N3S | 116.6° | 120.0° |
| CA | C | O | 124.9° | 120.0° |
| C | CA | H15 | 108.1° | 109.5° |
| O6 | S | N3S | 105.8° | 107.2° |
| O6 | S | O1S | 106.9° | 106.4° |
| O6 | S | O2S | 103.2° | 106.4° |
| N3S | C | O | 118.5° | 120.0° |
| C | N3S | S | 129.8° | 120.0° |
| C | N3S | H38 | 115.1° | 120.0° |
| N3S | S | O1S | 110.3° | 106.4° |
| N3S | S | O2S | 108.3° | 106.4° |
| S | N3S | H38 | 115.1° | 120.0° |
| C7 | C8 | C9 | 112.8° | 109.5° |
| C7 | C8 | H3 | 108.6° | 109.5° |
| C7 | C8 | H4 | 108.6° | 109.4° |
| C8 | C7 | H5 | 107.9° | 109.5° |
| C8 | C7 | H6 | 107.9° | 109.5° |
| C8 | C9 | N10 | 112.2° | 109.5° |
| C8 | C9 | H1 | 108.8° | 109.4° |
| C8 | C9 | H2 | 108.8° | 109.4° |
| C9 | C8 | H3 | 108.6° | 109.5° |
| C9 | C8 | H4 | 108.6° | 109.5° |
| O1S | S | O2S | 121.1° | 123.1° |
| N12 | N11 | N10 | 107.1° | 110.2° |
| N11 | N12 | C13 | 108.6° | 108.9° |
| N11 | N10 | C9 | 121.3° | 125.9° |
| N11 | N10 | C14 | 110.8° | 108.2° |
| C9 | N10 | C14 | 127.9° | 125.9° |
| N10 | C9 | H1 | 108.8° | 109.5° |
| N10 | C9 | H2 | 108.8° | 109.5° |
| N12 | C13 | C14 | 108.4° | 106.5° |
| N12 | C13 | C15 | 121.6° | 126.8° |
| N10 | C14 | C13 | 105.0° | 106.1° |
| N10 | C14 | H28 | 127.5° | 126.9° |
| C14 | C13 | C15 | 130.0° | 126.7° |
| C13 | C14 | H28 | 127.5° | 127.0° |
| C13 | C15 | N16 | 110.6° | 109.5° |
| C13 | C15 | H29 | 109.2° | 109.4° |
| C13 | C15 | H30 | 109.1° | 109.5° |
| C15 | N16 | C17 | 120.2° | 120.0° |
| N16 | C15 | H29 | 109.2° | 109.4° |
| N16 | C15 | H30 | 109.2° | 109.5° |
| C15 | N16 | H37 | 119.9° | 120.0° |
| O17 | C17 | N16 | 122.0° | 120.0° |
| O17 | C17 | N18 | 122.1° | 120.0° |
| N16 | C17 | N18 | 115.8° | 120.0° |
| C17 | N16 | H37 | 119.9° | 120.0° |
| C17 | N18 | C19 | 120.1° | 120.0° |
| C17 | N18 | H41 | 119.9° | 120.0° |
| N18 | C19 | C20 | 115.0° | 109.5° |
| N18 | C19 | H31 | 108.1° | 109.5° |
| N18 | C19 | H20 | 108.1° | 109.5° |
| C19 | N18 | H41 | 120.0° | 120.0° |
| C19 | C20 | C25 | 120.6° | 120.0° |
| C19 | C20 | C21 | 120.7° | 120.0° |
| C20 | C19 | H31 | 108.1° | 109.4° |
| C20 | C19 | H20 | 108.0° | 109.5° |
| C20 | C25 | C24 | 120.7° | 120.0° |
| C25 | C20 | C21 | 118.6° | 120.0° |
| C20 | C25 | H36 | 119.7° | 120.0° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C25 | C24 | H35 | 120.0° | 120.0° |
| C24 | C25 | H36 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C20 | C21 | H32 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.8° | 120.0° |
| C24 | C23 | H34 | 120.1° | 120.0° |
| C23 | C24 | H35 | 119.9° | 120.0° |
| C21 | C22 | C23 | 120.1° | 120.0° |
| C22 | C21 | H32 | 119.7° | 120.0° |
| C21 | C22 | H33 | 119.9° | 120.0° |
| C23 | C22 | H33 | 120.0° | 120.0° |
| C22 | C23 | H34 | 120.1° | 120.0° |
| H1 | C9 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.4° | 109.4° |
| H5 | C7 | H6 | 109.4° | 109.4° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.5° |
| H16 | CB | H17 | 109.5° | 109.4° |
| H18 | N | H19 | 109.4° | 110.9° |
| H22 | CD1 | H23 | 109.5° | 109.5° |
| H22 | CD1 | H24 | 109.5° | 109.5° |
| H23 | CD1 | H24 | 109.5° | 109.5° |
| H25 | CD2 | H26 | 109.5° | 109.5° |
| H25 | CD2 | H27 | 109.5° | 109.5° |
| H26 | CD2 | H27 | 109.5° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.5° |
| H31 | C19 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CG | CB | CD2 | 122.1° | 120.0° |
| CD1 | CG | CB | H21 | 118.8° | 119.9° |
| CD1 | CG | CD2 | H21 | 118.3° | 120.0° |
| CD1 | CG | CB | CA | 173.2° | 175.0° |
| CD1 | CG | CB | H16 | 65.3° | 54.9° |
| CD1 | CG | CB | H17 | 51.8° | 65.0° |
| CG | CD1 | H22 | H23 | 120.0° | 119.9° |
| CG | CD1 | H22 | H24 | 120.0° | 120.0° |
| CG | CD1 | H23 | H24 | 120.0° | 120.0° |
| CD1 | CG | CD2 | H25 | 180.0° | 180.0° |
| CD1 | CG | CD2 | H26 | 60.0° | 60.0° |
| CD1 | CG | CD2 | H27 | 60.0° | 60.0° |
| O4 | C4 | C5 | O5 | 72.7° | 177.5° |
| O4 | C4 | C5 | C3 | 119.4° | 119.9° |
| O4 | C4 | C5 | H11 | 120.2° | 120.1° |
| O4 | C4 | C5 | C6 | 157.9° | 62.4° |
| O4 | C4 | C3 | H11 | 119.9° | 120.1° |
| O4 | C4 | C3 | C2 | 71.0° | 177.0° |
| O4 | C4 | C3 | O3 | 50.1° | 57.1° |
| O4 | C4 | C3 | H10 | 169.1° | 63.2° |
| O4 | C4 | C5 | H12 | 42.7° | 57.6° |
| CB | CG | CD2 | H21 | 119.2° | 120.0° |
| CG | CB | CA | H16 | 121.4° | 120.0° |
| CG | CB | CA | H17 | 121.4° | 120.0° |
| CG | CB | CA | N | 82.2° | 65.0° |
| CG | CB | CA | C | 158.0° | 175.0° |
| CG | CB | CA | H15 | 38.7° | 55.0° |
| CG | CB | H16 | H17 | 115.4° | 120.0° |
| CB | CG | CD1 | H22 | 180.0° | 60.0° |
| CB | CG | CD1 | H23 | 60.0° | 180.0° |
| CB | CG | CD1 | H24 | 60.0° | 60.0° |
| CB | CG | CD2 | H25 | 57.5° | 60.0° |
| CB | CG | CD2 | H26 | 177.5° | 180.0° |
| CB | CG | CD2 | H27 | 62.5° | 60.0° |
| CD2 | CG | CB | CA | 64.7° | 65.0° |
| CD2 | CG | CB | H16 | 56.8° | 175.0° |
| CD2 | CG | CB | H17 | 173.9° | 55.0° |
| CD2 | CG | CD1 | H22 | 56.8° | 60.0° |
| CD2 | CG | CD1 | H23 | 176.8° | 60.0° |
| CD2 | CG | CD1 | H24 | 63.2° | 180.0° |
| CG | CD2 | H25 | H26 | 120.0° | 120.0° |
| CG | CD2 | H25 | H27 | 120.0° | 120.0° |
| CG | CD2 | H26 | H27 | 120.0° | 120.0° |
| O5 | C5 | C4 | C6 | 129.3° | 120.0° |
| O5 | C5 | C4 | H12 | 115.4° | 119.9° |
| O5 | C5 | C6 | H12 | 113.4° | 120.0° |
| O5 | C5 | C4 | C3 | 46.6° | 57.6° |
| O5 | C5 | C6 | O6 | 67.9° | 65.0° |
| C5 | O5 | C1 | C2 | 55.7° | 61.1° |
| C5 | O5 | C1 | H7 | 176.2° | 178.8° |
| C5 | O5 | C1 | H8 | 64.8° | 58.8° |
| O5 | C5 | C4 | H11 | 167.0° | 62.4° |
| O5 | C5 | C6 | H13 | 52.1° | 175.0° |
| O5 | C5 | C6 | H14 | 172.1° | 55.0° |
| C4 | C5 | C6 | H12 | 115.2° | 120.0° |
| C4 | C5 | O5 | C1 | 50.3° | 61.1° |
| C5 | C4 | C3 | H11 | 120.3° | 119.9° |
| C4 | C5 | C6 | O6 | 63.4° | 175.1° |
| C5 | C4 | C3 | C2 | 48.8° | 57.0° |
| C5 | C4 | C3 | O3 | 169.9° | 62.9° |
| C5 | C4 | C3 | H10 | 71.1° | 176.9° |
| C4 | C5 | C6 | H13 | 176.6° | 55.1° |
| C4 | C5 | C6 | H14 | 56.6° | 65.0° |
| C5 | C4 | O4 | H40 | 180.0° | 60.2° |
| C6 | C5 | O5 | C1 | 82.1° | 178.8° |
| C6 | C5 | C4 | C3 | 82.7° | 177.6° |
| C5 | C6 | O6 | H13 | 120.0° | 120.0° |
| C5 | C6 | O6 | H14 | 120.0° | 120.0° |
| C5 | C6 | O6 | S | 163.5° | 180.0° |
| C6 | C5 | C4 | H11 | 37.7° | 57.7° |
| C5 | C6 | H13 | H14 | 120.0° | 120.0° |
| O5 | C1 | C2 | H7 | 120.5° | 120.0° |
| O5 | C1 | C2 | H8 | 120.5° | 119.9° |
| O5 | C1 | C2 | C3 | 56.0° | 57.6° |
| O5 | C1 | C2 | C7 | 175.4° | 62.3° |
| O5 | C1 | H7 | H8 | 118.4° | 120.0° |
| O5 | C1 | C2 | H9 | 66.0° | 177.5° |
| C1 | O5 | C5 | H12 | 165.1° | 58.8° |
| C4 | C3 | C2 | C1 | 53.1° | 57.0° |
| C4 | C3 | C2 | O3 | 119.7° | 119.9° |
| C4 | C3 | C2 | H10 | 120.0° | 119.9° |
| C4 | C3 | C2 | C7 | 167.1° | 62.9° |
| C4 | C3 | O3 | H10 | 118.2° | 120.3° |
| C4 | C3 | C2 | H9 | 69.0° | 176.9° |
| C3 | C4 | C5 | H12 | 162.1° | 62.3° |
| C4 | C3 | O3 | H39 | 180.0° | 60.4° |
| C3 | C4 | O4 | H40 | 58.4° | 180.0° |
| CB | CA | N | C | 123.7° | 120.0° |
| CB | CA | N | H15 | 120.5° | 119.9° |
| CB | CA | C | H15 | 119.4° | 119.9° |
| CB | CA | C | N3S | 117.3° | 80.0° |
| CB | CA | C | O | 63.0° | 100.1° |
| CA | CB | H16 | H17 | 115.4° | 120.0° |
| CB | CA | N | H18 | 180.0° | 60.0° |
| CB | CA | N | H19 | 60.0° | 63.9° |
| CA | CB | CG | H21 | 54.4° | 55.0° |
| C6 | O6 | S | N3S | 35.3° | 75.0° |
| C6 | O6 | S | O1S | 82.2° | 38.5° |
| C6 | O6 | S | O2S | 148.9° | 171.4° |
| O6 | C6 | C5 | H12 | 178.7° | 55.1° |
| O6 | C6 | H13 | H14 | 120.1° | 120.0° |
| C1 | C2 | C3 | C7 | 114.0° | 119.9° |
| C1 | C2 | C3 | H9 | 122.1° | 119.9° |
| C1 | C2 | C7 | H9 | 118.8° | 120.1° |
| C1 | C2 | C3 | O3 | 172.8° | 62.9° |
| C1 | C2 | C7 | C8 | 176.9° | 65.0° |
| C1 | C2 | C7 | H5 | 55.9° | 175.0° |
| C1 | C2 | C7 | H6 | 62.2° | 55.0° |
| C2 | C1 | H7 | H8 | 118.4° | 120.0° |
| C1 | C2 | C3 | H10 | 66.9° | 176.9° |
| C3 | C2 | C7 | H9 | 123.8° | 120.2° |
| C2 | C3 | O3 | H10 | 119.5° | 120.1° |
| C3 | C2 | C7 | C8 | 65.7° | 175.3° |
| C3 | C2 | C7 | H5 | 173.3° | 55.3° |
| C3 | C2 | C7 | H6 | 55.2° | 64.6° |
| C3 | C2 | C1 | H7 | 176.6° | 177.6° |
| C3 | C2 | C1 | H8 | 64.5° | 62.4° |
| C2 | C3 | C4 | H11 | 169.2° | 62.9° |
| C2 | C3 | O3 | H39 | 57.7° | 180.0° |
| C7 | C2 | C3 | O3 | 73.2° | 177.2° |
| C2 | C7 | C8 | H5 | 120.9° | 120.0° |
| C2 | C7 | C8 | H6 | 120.9° | 120.0° |
| C2 | C7 | C8 | C9 | 164.7° | 180.0° |
| C2 | C7 | C8 | H3 | 44.2° | 60.0° |
| C2 | C7 | C8 | H4 | 74.8° | 60.0° |
| C2 | C7 | H5 | H6 | 117.1° | 120.0° |
| C7 | C2 | C1 | H7 | 64.0° | 57.7° |
| C7 | C2 | C1 | H8 | 54.9° | 177.7° |
| C7 | C2 | C3 | H10 | 47.1° | 57.0° |
| O3 | C3 | C2 | H9 | 50.6° | 57.0° |
| O3 | C3 | C4 | H11 | 69.8° | 177.2° |
| N | CA | C | H15 | 116.3° | 120.1° |
| N | CA | C | N3S | 7.1° | 160.0° |
| N | CA | C | O | 172.6° | 19.9° |
| N | CA | CB | H16 | 156.4° | 55.0° |
| N | CA | CB | H17 | 39.3° | 175.0° |
| CA | N | H18 | H19 | 120.0° | 123.9° |
| CA | C | N3S | O | 179.7° | 179.9° |
| CA | C | N3S | S | 175.9° | 180.0° |
| C | CA | CB | H16 | 36.6° | 65.0° |
| C | CA | CB | H17 | 80.6° | 55.0° |
| C | CA | N | H18 | 56.3° | 60.0° |
| C | CA | N | H19 | 63.7° | 176.1° |
| CA | C | N3S | H38 | 4.1° | 0.0° |
| O6 | S | N3S | C | 66.0° | 65.0° |
| O6 | S | N3S | O1S | 115.3° | 113.5° |
| O6 | S | N3S | O2S | 110.1° | 113.5° |
| O6 | S | O1S | O2S | 117.6° | 122.9° |
| S | O6 | C6 | H13 | 76.5° | 60.0° |
| S | O6 | C6 | H14 | 43.5° | 60.0° |
| O6 | S | N3S | H38 | 114.0° | 115.0° |
| C | N3S | S | H38 | 180.0° | 180.0° |
| C | N3S | S | O1S | 178.7° | 178.6° |
| C | N3S | S | O2S | 44.1° | 48.5° |
| N3S | C | CA | H15 | 123.4° | 39.9° |
| O | C | N3S | S | 4.3° | 0.0° |
| O | C | CA | H15 | 56.4° | 140.0° |
| O | C | N3S | H38 | 175.7° | 180.0° |
| N3S | S | O1S | O2S | 127.8° | 123.0° |
| C7 | C8 | C9 | H3 | 120.5° | 120.0° |
| C7 | C8 | C9 | H4 | 120.5° | 120.0° |
| C7 | C8 | C9 | N10 | 72.3° | 180.0° |
| C7 | C8 | C9 | H1 | 48.1° | 60.0° |
| C7 | C8 | C9 | H2 | 167.3° | 60.0° |
| C7 | C8 | H3 | H4 | 118.4° | 119.9° |
| C8 | C7 | H5 | H6 | 117.2° | 120.0° |
| C8 | C7 | C2 | H9 | 58.1° | 55.1° |
| C8 | C9 | N10 | N11 | 59.8° | 55.1° |
| C8 | C9 | N10 | H1 | 120.4° | 120.0° |
| C8 | C9 | N10 | H2 | 120.4° | 120.0° |
| C8 | C9 | N10 | C14 | 122.4° | 125.0° |
| C8 | C9 | H1 | H2 | 118.7° | 119.9° |
| C9 | C8 | H3 | H4 | 118.5° | 120.0° |
| C9 | C8 | C7 | H5 | 74.4° | 60.0° |
| C9 | C8 | C7 | H6 | 43.8° | 60.0° |
| O1S | S | N3S | H38 | 1.3° | 1.5° |
| O2S | S | N3S | H38 | 135.9° | 131.5° |
| N12 | N11 | N10 | C9 | 177.5° | 179.7° |
| N12 | N11 | N10 | C14 | 0.6° | 0.2° |
| N11 | N12 | C13 | C14 | 0.4° | 0.4° |
| N11 | N12 | C13 | C15 | 178.5° | 179.9° |
| N11 | N10 | C9 | C14 | 177.8° | 179.9° |
| N10 | N11 | N12 | C13 | 0.2° | 0.4° |
| N11 | N10 | C14 | C13 | 0.9° | 0.0° |
| N11 | N10 | C9 | H1 | 179.8° | 175.1° |
| N11 | N10 | C9 | H2 | 60.6° | 64.9° |
| N11 | N10 | C14 | H28 | 179.1° | 179.9° |
| C9 | N10 | C14 | C13 | 177.1° | 179.9° |
| N10 | C9 | H1 | H2 | 118.7° | 120.1° |
| N10 | C9 | C8 | H3 | 167.2° | 60.0° |
| N10 | C9 | C8 | H4 | 48.2° | 60.0° |
| C9 | N10 | C14 | H28 | 2.9° | 0.0° |
| N12 | C13 | C14 | N10 | 0.7° | 0.2° |
| N12 | C13 | C14 | C15 | 178.7° | 179.8° |
| N12 | C13 | C15 | N16 | 173.7° | 84.7° |
| N12 | C13 | C14 | H28 | 179.2° | 179.7° |
| N12 | C13 | C15 | H29 | 53.5° | 35.3° |
| N12 | C13 | C15 | H30 | 66.1° | 155.3° |
| N10 | C14 | C13 | H28 | 180.0° | 179.9° |
| N10 | C14 | C13 | C15 | 178.0° | 180.0° |
| C14 | N10 | C9 | H1 | 2.0° | 5.0° |
| C14 | N10 | C9 | H2 | 117.2° | 115.0° |
| C14 | C13 | C15 | N16 | 4.9° | 95.0° |
| C14 | C13 | C15 | H29 | 125.1° | 145.0° |
| C14 | C13 | C15 | H30 | 115.3° | 25.0° |
| C13 | C15 | N16 | H29 | 120.2° | 119.9° |
| C13 | C15 | N16 | H30 | 120.1° | 120.1° |
| C13 | C15 | N16 | C17 | 136.3° | 180.0° |
| C15 | C13 | C14 | H28 | 2.1° | 0.1° |
| C13 | C15 | H29 | H30 | 119.4° | 120.0° |
| C13 | C15 | N16 | H37 | 43.7° | 0.0° |
| C15 | N16 | C17 | O17 | 10.0° | 0.0° |
| C15 | N16 | C17 | H37 | 180.0° | 180.0° |
| C15 | N16 | C17 | N18 | 167.3° | 180.0° |
| N16 | C15 | H29 | H30 | 119.5° | 120.0° |
| O17 | C17 | N16 | N18 | 177.2° | 180.0° |
| O17 | C17 | N18 | C19 | 10.3° | 0.0° |
| O17 | C17 | N16 | H37 | 170.0° | 180.0° |
| O17 | C17 | N18 | H41 | 169.7° | 180.0° |
| N16 | C17 | N18 | C19 | 166.9° | 180.0° |
| C17 | N16 | C15 | H29 | 103.5° | 60.0° |
| C17 | N16 | C15 | H30 | 16.2° | 60.0° |
| N16 | C17 | N18 | H41 | 13.1° | 0.0° |
| C17 | N18 | C19 | H41 | 180.0° | 180.0° |
| C17 | N18 | C19 | C20 | 178.2° | 180.0° |
| C17 | N18 | C19 | H31 | 57.4° | 60.0° |
| N18 | C17 | N16 | H37 | 12.7° | 0.0° |
| C17 | N18 | C19 | H20 | 61.0° | 60.0° |
| N18 | C19 | C20 | H31 | 120.8° | 120.0° |
| N18 | C19 | C20 | H20 | 120.8° | 120.0° |
| N18 | C19 | C20 | C25 | 90.5° | 90.3° |
| N18 | C19 | C20 | C21 | 92.1° | 90.0° |
| N18 | C19 | H31 | H20 | 117.5° | 120.1° |
| C19 | C20 | C25 | C21 | 177.4° | 179.7° |
| C19 | C20 | C25 | C24 | 176.8° | 179.7° |
| C19 | C20 | C21 | C22 | 176.8° | 180.0° |
| C20 | C19 | H31 | H20 | 117.5° | 120.0° |
| C19 | C20 | C21 | H32 | 3.2° | 0.0° |
| C19 | C20 | C25 | H36 | 3.2° | 0.0° |
| C20 | C19 | N18 | H41 | 1.7° | 0.0° |
| C20 | C25 | C24 | H36 | 180.0° | 179.7° |
| C20 | C25 | C24 | C23 | 0.2° | 0.6° |
| C25 | C20 | C21 | C22 | 0.6° | 0.3° |
| C25 | C20 | C19 | H31 | 148.7° | 29.7° |
| C25 | C20 | C21 | H32 | 179.4° | 179.7° |
| C20 | C25 | C24 | H35 | 179.8° | 179.7° |
| C25 | C20 | C19 | H20 | 30.3° | 149.7° |
| C24 | C25 | C20 | C21 | 0.6° | 0.6° |
| C25 | C24 | C23 | H35 | 180.0° | 179.8° |
| C25 | C24 | C23 | C22 | 0.2° | 0.3° |
| C25 | C24 | C23 | H34 | 179.8° | 179.8° |
| C20 | C21 | C22 | H32 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C19 | H31 | 28.7° | 150.0° |
| C20 | C21 | C22 | H33 | 179.8° | 180.0° |
| C21 | C20 | C25 | H36 | 179.4° | 179.7° |
| C21 | C20 | C19 | H20 | 147.1° | 30.0° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H34 | 180.0° | 179.9° |
| C24 | C23 | C22 | H33 | 179.7° | 180.0° |
| C23 | C24 | C25 | H36 | 179.8° | 179.7° |
| C21 | C22 | C23 | H33 | 180.0° | 180.0° |
| C21 | C22 | C23 | H34 | 179.7° | 179.9° |
| C23 | C22 | C21 | H32 | 179.9° | 180.0° |
| C22 | C23 | C24 | H35 | 179.8° | 179.9° |
| H1 | C9 | C8 | H3 | 72.4° | 60.1° |
| H1 | C9 | C8 | H4 | 168.6° | 180.0° |
| H2 | C9 | C8 | H3 | 46.8° | 180.0° |
| H2 | C9 | C8 | H4 | 72.2° | 60.0° |
| H3 | C8 | C7 | H5 | 165.1° | 179.9° |
| H3 | C8 | C7 | H6 | 76.7° | 60.1° |
| H4 | C8 | C7 | H5 | 46.1° | 60.0° |
| H4 | C8 | C7 | H6 | 164.3° | 180.0° |
| H5 | C7 | C2 | H9 | 62.8° | 64.9° |
| H6 | C7 | C2 | H9 | 179.1° | 175.2° |
| H7 | C1 | C2 | H9 | 54.6° | 62.5° |
| H8 | C1 | C2 | H9 | 173.5° | 57.6° |
| H9 | C2 | C3 | H10 | 170.9° | 63.2° |
| H10 | C3 | C4 | H11 | 49.2° | 56.9° |
| H10 | C3 | O3 | H39 | 61.7° | 59.9° |
| H11 | C4 | C5 | H12 | 77.5° | 177.7° |
| H11 | C4 | O4 | H40 | 60.6° | 59.9° |
| H12 | C5 | C6 | H13 | 61.3° | 64.9° |
| H12 | C5 | C6 | H14 | 58.7° | 175.0° |
| H15 | CA | CB | H16 | 82.7° | 175.0° |
| H15 | CA | CB | H17 | 160.1° | 65.0° |
| H15 | CA | N | H18 | 59.5° | 179.9° |
| H15 | CA | N | H19 | 179.5° | 56.0° |
| H16 | CB | CG | H21 | 175.8° | 65.0° |
| H17 | CB | CG | H21 | 67.0° | 175.1° |
| H21 | CG | CD1 | H22 | 61.3° | 180.0° |
| H21 | CG | CD1 | H23 | 58.7° | 60.1° |
| H21 | CG | CD1 | H24 | 178.7° | 60.0° |
| H21 | CG | CD2 | H25 | 61.7° | 60.0° |
| H21 | CG | CD2 | H26 | 58.3° | 60.0° |
| H21 | CG | CD2 | H27 | 178.3° | 180.0° |
| H22 | CD1 | H23 | H24 | 120.0° | 120.1° |
| H25 | CD2 | H26 | H27 | 120.0° | 120.0° |
| H29 | C15 | N16 | H37 | 76.5° | 120.0° |
| H30 | C15 | N16 | H37 | 163.9° | 120.0° |
| H31 | C19 | N18 | H41 | 122.6° | 120.0° |
| H32 | C21 | C22 | H33 | 0.2° | 0.0° |
| H33 | C22 | C23 | H34 | 0.3° | 0.0° |
| H34 | C23 | C24 | H35 | 0.2° | 0.0° |
| H35 | C24 | C25 | H36 | 0.2° | 0.0° |
| H20 | C19 | N18 | H41 | 119.1° | 120.0° |
