OVW
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 | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | CD1 | sing | 1.53Å | 1.54Å | |
| 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 | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| O6 | S | sing | 1.52Å | 1.60Å | |
| C | N3S | sing | 1.35Å | 1.42Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N3S | S | sing | 1.66Å | 1.59Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| 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 | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| C13 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| N3S | H46 | sing | 0.97Å | 1.00Å | |
| O3 | H47 | sing | 0.97Å | 0.95Å | |
| O4 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 109.3° | 109.4° |
| CD2 | CG | CD1 | 110.8° | 109.5° |
| CD2 | CG | H7 | 109.2° | 109.4° |
| CG | CD2 | H11 | 109.5° | 109.5° |
| CG | CD2 | H12 | 109.5° | 109.4° |
| CG | CD2 | H13 | 109.4° | 109.4° |
| O4 | C4 | C5 | 109.1° | 109.6° |
| O4 | C4 | C3 | 108.2° | 109.5° |
| O4 | C4 | H36 | 110.1° | 109.5° |
| C4 | O4 | H48 | 109.5° | 114.1° |
| O5 | C5 | C4 | 113.1° | 109.4° |
| O5 | C5 | C6 | 109.9° | 109.5° |
| C5 | O5 | C1 | 113.6° | 114.1° |
| O5 | C5 | H37 | 106.4° | 109.4° |
| C4 | C5 | C6 | 116.0° | 109.5° |
| C5 | C4 | C3 | 111.8° | 109.2° |
| C5 | C4 | H36 | 108.7° | 109.5° |
| C4 | C5 | H37 | 105.3° | 109.5° |
| C5 | C6 | O6 | 110.9° | 109.5° |
| C6 | C5 | H37 | 105.3° | 109.5° |
| C5 | C6 | H38 | 109.1° | 109.5° |
| C5 | C6 | H39 | 109.1° | 109.5° |
| CB | CG | CD1 | 109.2° | 109.5° |
| CG | CB | CA | 113.1° | 109.4° |
| CG | CB | H5 | 108.6° | 109.4° |
| CG | CB | H6 | 108.6° | 109.5° |
| CB | CG | H7 | 109.3° | 109.5° |
| CD1 | CG | H7 | 109.1° | 109.5° |
| CG | CD1 | H8 | 109.5° | 109.4° |
| CG | CD1 | H9 | 109.5° | 109.5° |
| CG | CD1 | H10 | 109.5° | 109.5° |
| O5 | C1 | C2 | 112.4° | 109.4° |
| O5 | C1 | H14 | 108.7° | 109.5° |
| O5 | C1 | H15 | 108.8° | 109.5° |
| C4 | C3 | O3 | 108.4° | 109.5° |
| C4 | C3 | C2 | 111.7° | 109.0° |
| C4 | C3 | H35 | 108.5° | 109.6° |
| C3 | C4 | H36 | 108.9° | 109.5° |
| CB | CA | N | 112.6° | 109.5° |
| CB | CA | C | 107.5° | 109.4° |
| CB | CA | H4 | 108.7° | 109.4° |
| CA | CB | H5 | 108.6° | 109.5° |
| CA | CB | H6 | 108.6° | 109.5° |
| C6 | O6 | S | 118.9° | 114.0° |
| O6 | C6 | H38 | 109.1° | 109.5° |
| O6 | C6 | H39 | 109.1° | 109.5° |
| C1 | C2 | C3 | 108.9° | 109.2° |
| C1 | C2 | C7 | 106.6° | 109.5° |
| C2 | C1 | H14 | 108.7° | 109.5° |
| C2 | C1 | H15 | 108.7° | 109.5° |
| C1 | C2 | H27 | 110.1° | 109.5° |
| O3 | C3 | C2 | 110.3° | 109.5° |
| O3 | C3 | H35 | 109.6° | 109.6° |
| C3 | O3 | H47 | 109.5° | 114.0° |
| C3 | C2 | C7 | 111.4° | 109.5° |
| C3 | C2 | H27 | 109.9° | 109.6° |
| C2 | C3 | H35 | 108.4° | 109.5° |
| C2 | C7 | C8 | 115.6° | 109.5° |
| C7 | C2 | H27 | 109.8° | 109.5° |
| C2 | C7 | H40 | 107.9° | 109.5° |
| C2 | C7 | H41 | 107.9° | 109.5° |
| N | CA | C | 109.7° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | H4 | 109.4° | 109.5° |
| CA | C | N3S | 115.6° | 120.0° |
| CA | C | O | 124.6° | 120.0° |
| C | CA | H4 | 109.0° | 109.4° |
| O6 | S | N3S | 103.7° | 107.2° |
| O6 | S | O1S | 108.0° | 106.4° |
| O6 | S | O2S | 103.1° | 106.4° |
| N3S | C | O | 119.8° | 120.0° |
| C | N3S | S | 125.9° | 120.0° |
| C | N3S | H46 | 117.1° | 120.0° |
| N3S | S | O1S | 107.5° | 106.4° |
| N3S | S | O2S | 112.4° | 106.4° |
| S | N3S | H46 | 117.0° | 120.0° |
| C7 | C8 | C9 | 113.4° | 109.5° |
| C8 | C7 | H40 | 107.9° | 109.4° |
| C8 | C7 | H41 | 107.9° | 109.5° |
| C7 | C8 | H42 | 108.5° | 109.5° |
| C7 | C8 | H43 | 108.5° | 109.5° |
| C8 | C9 | N10 | 112.9° | 109.5° |
| C9 | C8 | H42 | 108.5° | 109.4° |
| C9 | C8 | H43 | 108.5° | 109.5° |
| C8 | C9 | H44 | 108.6° | 109.5° |
| C8 | C9 | H45 | 108.6° | 109.5° |
| O1S | S | O2S | 120.7° | 123.2° |
| C9 | N10 | N11 | 120.8° | 125.9° |
| C9 | N10 | C14 | 128.5° | 125.8° |
| N10 | C9 | H44 | 108.6° | 109.4° |
| N10 | C9 | H45 | 108.6° | 109.4° |
| N10 | N11 | N12 | 107.1° | 110.2° |
| N11 | N10 | C14 | 110.7° | 108.3° |
| N11 | N12 | C13 | 109.1° | 108.9° |
| N10 | C14 | C13 | 105.2° | 106.2° |
| N10 | C14 | H16 | 127.4° | 127.0° |
| N12 | C13 | C14 | 108.0° | 106.5° |
| N12 | C13 | C15 | 121.5° | 126.7° |
| C14 | C13 | C15 | 130.5° | 126.7° |
| C13 | C14 | H16 | 127.4° | 126.9° |
| C13 | C15 | C16 | 113.2° | 109.5° |
| C13 | C15 | H17 | 108.5° | 109.5° |
| C13 | C15 | H18 | 108.5° | 109.5° |
| C15 | C16 | C17 | 113.5° | 109.4° |
| C16 | C15 | H17 | 108.5° | 109.5° |
| C16 | C15 | H18 | 108.5° | 109.5° |
| C15 | C16 | H19 | 108.5° | 109.4° |
| C15 | C16 | H20 | 108.5° | 109.5° |
| C16 | C17 | C18 | 113.5° | 109.4° |
| C17 | C16 | H19 | 108.4° | 109.5° |
| C17 | C16 | H20 | 108.5° | 109.5° |
| C16 | C17 | H21 | 108.4° | 109.5° |
| C16 | C17 | H22 | 108.5° | 109.5° |
| C17 | C18 | C19 | 115.1° | 109.5° |
| C18 | C17 | H21 | 108.5° | 109.4° |
| C18 | C17 | H22 | 108.4° | 109.5° |
| C17 | C18 | H23 | 108.1° | 109.5° |
| C17 | C18 | H24 | 108.0° | 109.5° |
| C18 | C19 | C20 | 112.8° | 109.5° |
| C19 | C18 | H23 | 108.1° | 109.4° |
| C19 | C18 | H24 | 108.1° | 109.5° |
| C18 | C19 | H25 | 108.6° | 109.5° |
| C18 | C19 | H26 | 108.6° | 109.4° |
| C22 | C21 | C20 | 113.7° | 109.5° |
| C22 | C21 | H30 | 108.4° | 109.5° |
| C22 | C21 | H31 | 108.4° | 109.4° |
| C21 | C22 | H32 | 109.5° | 109.5° |
| C21 | C22 | H33 | 109.5° | 109.4° |
| C21 | C22 | H34 | 109.5° | 109.5° |
| C19 | C20 | C21 | 115.6° | 109.5° |
| C20 | C19 | H25 | 108.6° | 109.4° |
| C20 | C19 | H26 | 108.6° | 109.5° |
| C19 | C20 | H28 | 107.9° | 109.4° |
| C19 | C20 | H29 | 107.9° | 109.5° |
| C21 | C20 | H28 | 108.0° | 109.5° |
| C21 | C20 | H29 | 107.9° | 109.5° |
| C20 | C21 | H30 | 108.4° | 109.5° |
| C20 | C21 | H31 | 108.4° | 109.5° |
| H1 | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H8 | CD1 | H9 | 109.4° | 109.5° |
| H8 | CD1 | H10 | 109.5° | 109.5° |
| H9 | CD1 | H10 | 109.5° | 109.5° |
| H11 | CD2 | H12 | 109.4° | 109.6° |
| H11 | CD2 | H13 | 109.5° | 109.5° |
| H12 | CD2 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.4° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.4° |
| H32 | C22 | H33 | 109.5° | 109.4° |
| H32 | C22 | H34 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H38 | C6 | H39 | 109.5° | 109.4° |
| H40 | C7 | H41 | 109.5° | 109.4° |
| H42 | C8 | H43 | 109.4° | 109.5° |
| H44 | C9 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 121.4° | 120.0° |
| CD2 | CG | CB | H7 | 119.4° | 120.0° |
| CD2 | CG | CD1 | H7 | 120.2° | 120.0° |
| CD2 | CG | CB | CA | 165.4° | 65.9° |
| CD2 | CG | CB | H5 | 74.1° | 174.2° |
| CD2 | CG | CB | H6 | 44.8° | 54.2° |
| CD2 | CG | CD1 | H8 | 180.0° | 179.9° |
| CD2 | CG | CD1 | H9 | 60.0° | 60.2° |
| CD2 | CG | CD1 | H10 | 60.0° | 59.8° |
| CG | CD2 | H11 | H12 | 120.0° | 120.0° |
| CG | CD2 | H11 | H13 | 120.0° | 119.9° |
| CG | CD2 | H12 | H13 | 120.0° | 119.9° |
| O4 | C4 | C5 | O5 | 71.0° | 177.6° |
| O4 | C4 | C5 | C3 | 119.7° | 120.0° |
| O4 | C4 | C5 | H36 | 120.1° | 120.1° |
| O4 | C4 | C5 | C6 | 160.7° | 62.5° |
| O4 | C4 | C3 | H36 | 119.7° | 120.2° |
| O4 | C4 | C3 | O3 | 50.8° | 57.1° |
| O4 | C4 | C3 | C2 | 70.8° | 176.9° |
| O4 | C4 | C3 | H35 | 169.8° | 63.2° |
| O4 | C4 | C5 | H37 | 44.7° | 57.6° |
| O5 | C5 | C4 | C6 | 128.3° | 120.0° |
| O5 | C5 | C4 | H37 | 115.7° | 120.0° |
| O5 | C5 | C6 | H37 | 114.2° | 120.0° |
| O5 | C5 | C4 | C3 | 48.6° | 57.6° |
| O5 | C5 | C6 | O6 | 76.8° | 65.0° |
| C5 | O5 | C1 | C2 | 58.3° | 61.2° |
| C5 | O5 | C1 | H14 | 178.7° | 178.9° |
| C5 | O5 | C1 | H15 | 62.1° | 58.8° |
| O5 | C5 | C4 | H36 | 168.8° | 62.3° |
| O5 | C5 | C6 | H38 | 43.4° | 175.0° |
| O5 | C5 | C6 | H39 | 163.0° | 55.0° |
| C4 | C5 | C6 | H37 | 116.0° | 120.1° |
| C4 | C5 | O5 | C1 | 53.2° | 61.2° |
| C5 | C4 | C3 | H36 | 120.1° | 119.9° |
| C4 | C5 | C6 | O6 | 53.1° | 175.0° |
| C5 | C4 | C3 | O3 | 171.1° | 62.9° |
| C5 | C4 | C3 | C2 | 49.4° | 57.0° |
| C5 | C4 | C3 | H35 | 69.9° | 176.9° |
| C4 | C5 | C6 | H38 | 173.2° | 55.1° |
| C4 | C5 | C6 | H39 | 67.2° | 64.9° |
| C5 | C4 | O4 | H48 | 180.0° | 60.3° |
| C6 | C5 | O5 | C1 | 78.2° | 178.8° |
| C6 | C5 | C4 | C3 | 79.7° | 177.6° |
| C5 | C6 | O6 | H38 | 120.2° | 120.0° |
| C5 | C6 | O6 | H39 | 120.2° | 120.1° |
| C5 | C6 | O6 | S | 168.2° | 180.0° |
| C6 | C5 | C4 | H36 | 40.5° | 57.7° |
| C5 | C6 | H38 | H39 | 119.3° | 120.0° |
| CB | CG | CD1 | H7 | 119.4° | 120.0° |
| CG | CB | CA | H5 | 120.6° | 119.9° |
| CG | CB | CA | H6 | 120.5° | 120.0° |
| CG | CB | CA | N | 69.3° | 65.2° |
| CG | CB | CA | C | 169.9° | 174.7° |
| CG | CB | CA | H4 | 52.1° | 54.8° |
| CG | CB | H5 | H6 | 118.4° | 120.0° |
| CB | CG | CD1 | H8 | 59.6° | 60.2° |
| CB | CG | CD1 | H9 | 179.5° | 59.8° |
| CB | CG | CD1 | H10 | 60.5° | 179.8° |
| CB | CG | CD2 | H11 | 180.0° | 60.0° |
| CB | CG | CD2 | H12 | 60.0° | 179.9° |
| CB | CG | CD2 | H13 | 60.0° | 60.0° |
| CD1 | CG | CB | CA | 73.3° | 174.1° |
| CD1 | CG | CB | H5 | 47.2° | 54.2° |
| CD1 | CG | CB | H6 | 166.2° | 65.8° |
| 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 | 59.6° | 180.0° |
| CD1 | CG | CD2 | H12 | 179.6° | 59.9° |
| CD1 | CG | CD2 | H13 | 60.4° | 60.0° |
| O5 | C1 | C2 | H14 | 120.4° | 120.0° |
| O5 | C1 | C2 | H15 | 120.4° | 120.0° |
| O5 | C1 | C2 | C3 | 57.2° | 57.6° |
| O5 | C1 | C2 | C7 | 177.6° | 62.3° |
| O5 | C1 | H14 | H15 | 118.7° | 120.1° |
| O5 | C1 | C2 | H27 | 63.3° | 177.6° |
| C1 | O5 | C5 | H37 | 168.2° | 58.8° |
| C4 | C3 | C2 | C1 | 53.1° | 57.0° |
| C4 | C3 | O3 | C2 | 122.5° | 119.6° |
| C4 | C3 | O3 | H35 | 118.3° | 120.3° |
| C4 | C3 | C2 | H35 | 119.5° | 120.0° |
| C4 | C3 | C2 | C7 | 170.5° | 62.9° |
| C4 | C3 | C2 | H27 | 67.5° | 176.9° |
| C3 | C4 | C5 | H37 | 164.4° | 62.4° |
| C4 | C3 | O3 | H47 | 180.0° | 60.5° |
| C3 | C4 | O4 | H48 | 58.1° | 179.9° |
| CB | CA | N | C | 119.6° | 120.0° |
| CB | CA | N | H4 | 120.9° | 120.0° |
| CB | CA | C | H4 | 117.6° | 119.9° |
| CB | CA | C | N3S | 115.9° | 80.0° |
| CB | CA | C | O | 61.7° | 100.1° |
| CB | CA | N | H1 | 180.0° | 54.0° |
| CB | CA | N | H2 | 60.0° | 69.9° |
| CA | CB | H5 | H6 | 118.3° | 120.1° |
| CA | CB | CG | H7 | 45.9° | 54.1° |
| C6 | O6 | S | N3S | 56.2° | 75.0° |
| C6 | O6 | S | O1S | 57.7° | 38.6° |
| C6 | O6 | S | O2S | 173.5° | 171.5° |
| O6 | C6 | C5 | H37 | 169.0° | 55.0° |
| O6 | C6 | H38 | H39 | 119.4° | 120.0° |
| C1 | C2 | C3 | O3 | 173.7° | 62.9° |
| C1 | C2 | C3 | C7 | 117.3° | 119.9° |
| C1 | C2 | C3 | H27 | 120.7° | 119.9° |
| C1 | C2 | C7 | H27 | 119.2° | 120.0° |
| C1 | C2 | C7 | C8 | 155.3° | 65.0° |
| C2 | C1 | H14 | H15 | 118.7° | 120.0° |
| C1 | C2 | C3 | H35 | 66.3° | 176.9° |
| C1 | C2 | C7 | H40 | 34.4° | 55.0° |
| C1 | C2 | C7 | H41 | 83.8° | 175.0° |
| O3 | C3 | C2 | H35 | 120.0° | 120.2° |
| O3 | C3 | C2 | C7 | 69.0° | 177.2° |
| O3 | C3 | C2 | H27 | 53.0° | 57.0° |
| O3 | C3 | C4 | H36 | 68.9° | 177.3° |
| C3 | C2 | C7 | H27 | 122.1° | 120.3° |
| C3 | C2 | C7 | C8 | 86.0° | 175.3° |
| C3 | C2 | C1 | H14 | 177.6° | 177.6° |
| C3 | C2 | C1 | H15 | 63.2° | 62.4° |
| C2 | C3 | C4 | H36 | 169.5° | 62.9° |
| C3 | C2 | C7 | H40 | 153.1° | 64.7° |
| C3 | C2 | C7 | H41 | 34.9° | 55.3° |
| C2 | C3 | O3 | H47 | 57.5° | 180.0° |
| C2 | C7 | C8 | H40 | 120.9° | 120.0° |
| C2 | C7 | C8 | H41 | 120.9° | 120.0° |
| C2 | C7 | C8 | C9 | 173.6° | 180.0° |
| C7 | C2 | C1 | H14 | 62.0° | 57.7° |
| C7 | C2 | C1 | H15 | 57.1° | 177.7° |
| C7 | C2 | C3 | H35 | 51.0° | 57.0° |
| C2 | C7 | H40 | H41 | 117.2° | 120.0° |
| C2 | C7 | C8 | H42 | 53.1° | 60.0° |
| C2 | C7 | C8 | H43 | 65.7° | 60.0° |
| N | CA | C | H4 | 119.7° | 120.0° |
| N | CA | C | N3S | 6.8° | 160.0° |
| N | CA | C | O | 175.6° | 20.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 170.2° | 54.7° |
| N | CA | CB | H6 | 51.3° | 174.7° |
| CA | C | N3S | O | 177.7° | 180.0° |
| CA | C | N3S | S | 177.6° | 180.0° |
| C | CA | N | H1 | 60.4° | 66.0° |
| C | CA | N | H2 | 59.6° | 170.1° |
| C | CA | CB | H5 | 49.3° | 65.3° |
| C | CA | CB | H6 | 69.6° | 54.7° |
| CA | C | N3S | H46 | 2.4° | 0.0° |
| O6 | S | N3S | C | 63.3° | 65.0° |
| O6 | S | N3S | O1S | 114.3° | 113.5° |
| O6 | S | N3S | O2S | 110.6° | 113.6° |
| O6 | S | O1S | O2S | 118.0° | 122.9° |
| S | O6 | C6 | H38 | 71.6° | 60.0° |
| S | O6 | C6 | H39 | 48.0° | 60.0° |
| O6 | S | N3S | H46 | 116.7° | 115.0° |
| C | N3S | S | H46 | 180.0° | 180.0° |
| C | N3S | S | O1S | 177.6° | 178.5° |
| C | N3S | S | O2S | 47.3° | 48.5° |
| N3S | C | CA | H4 | 126.5° | 39.9° |
| O | C | N3S | S | 4.7° | 0.0° |
| O | C | CA | H4 | 55.9° | 140.0° |
| O | C | N3S | H46 | 175.3° | 180.0° |
| N3S | S | O1S | O2S | 130.6° | 123.0° |
| C7 | C8 | C9 | H42 | 120.6° | 120.0° |
| C7 | C8 | C9 | H43 | 120.6° | 120.0° |
| C7 | C8 | C9 | N10 | 64.8° | 180.0° |
| C8 | C7 | C2 | H27 | 36.1° | 55.1° |
| C8 | C7 | H40 | H41 | 117.2° | 120.0° |
| C7 | C8 | H42 | H43 | 118.2° | 120.0° |
| C7 | C8 | C9 | H44 | 55.7° | 60.1° |
| C7 | C8 | C9 | H45 | 174.7° | 60.0° |
| C8 | C9 | N10 | H44 | 120.5° | 120.0° |
| C8 | C9 | N10 | H45 | 120.5° | 120.0° |
| C8 | C9 | N10 | N11 | 79.5° | 55.0° |
| C8 | C9 | N10 | C14 | 100.6° | 125.0° |
| C9 | C8 | C7 | H40 | 65.4° | 60.0° |
| C9 | C8 | C7 | H41 | 52.7° | 59.9° |
| C9 | C8 | H42 | H43 | 118.2° | 120.0° |
| C8 | C9 | H44 | H45 | 118.5° | 120.1° |
| O1S | S | N3S | H46 | 2.4° | 1.5° |
| O2S | S | N3S | H46 | 132.7° | 131.5° |
| C9 | N10 | N11 | C14 | 179.9° | 180.0° |
| C9 | N10 | N11 | N12 | 179.8° | 179.8° |
| C9 | N10 | C14 | C13 | 179.9° | 180.0° |
| C9 | N10 | C14 | H16 | 0.1° | 0.1° |
| N10 | C9 | C8 | H42 | 174.6° | 60.0° |
| N10 | C9 | C8 | H43 | 55.8° | 60.0° |
| N10 | C9 | H44 | H45 | 118.4° | 119.9° |
| N10 | N11 | N12 | C13 | 0.2° | 0.4° |
| N11 | N10 | C14 | C13 | 0.0° | 0.0° |
| N11 | N10 | C14 | H16 | 180.0° | 179.9° |
| N11 | N10 | C9 | H44 | 160.0° | 175.0° |
| N11 | N10 | C9 | H45 | 41.1° | 65.1° |
| N12 | N11 | N10 | C14 | 0.2° | 0.2° |
| N11 | N12 | C13 | C14 | 0.2° | 0.5° |
| N11 | N12 | C13 | C15 | 179.6° | 179.9° |
| N10 | C14 | C13 | N12 | 0.1° | 0.3° |
| N10 | C14 | C13 | H16 | 180.0° | 180.0° |
| N10 | C14 | C13 | C15 | 179.6° | 180.0° |
| C14 | N10 | C9 | H44 | 19.9° | 5.0° |
| C14 | N10 | C9 | H45 | 138.9° | 114.9° |
| N12 | C13 | C14 | C15 | 179.7° | 179.7° |
| N12 | C13 | C15 | C16 | 174.1° | 54.6° |
| N12 | C13 | C14 | H16 | 179.9° | 179.7° |
| N12 | C13 | C15 | H17 | 53.6° | 65.4° |
| N12 | C13 | C15 | H18 | 65.3° | 174.7° |
| C14 | C13 | C15 | C16 | 6.2° | 125.0° |
| C14 | C13 | C15 | H17 | 126.7° | 115.0° |
| C14 | C13 | C15 | H18 | 114.4° | 4.9° |
| C13 | C15 | C16 | H17 | 120.6° | 120.0° |
| C13 | C15 | C16 | H18 | 120.6° | 120.0° |
| C13 | C15 | C16 | C17 | 177.0° | 180.0° |
| C15 | C13 | C14 | H16 | 0.4° | 0.0° |
| C13 | C15 | H17 | H18 | 118.3° | 120.0° |
| C13 | C15 | C16 | H19 | 62.4° | 60.0° |
| C13 | C15 | C16 | H20 | 56.4° | 60.0° |
| C15 | C16 | C17 | H19 | 120.6° | 119.9° |
| C15 | C16 | C17 | H20 | 120.6° | 120.0° |
| C15 | C16 | C17 | C18 | 177.7° | 180.0° |
| C16 | C15 | H17 | H18 | 118.3° | 120.0° |
| C15 | C16 | H19 | H20 | 118.2° | 120.0° |
| C15 | C16 | C17 | H21 | 57.1° | 60.1° |
| C15 | C16 | C17 | H22 | 61.7° | 60.0° |
| C16 | C17 | C18 | H21 | 120.6° | 120.0° |
| C16 | C17 | C18 | H22 | 120.6° | 120.0° |
| C16 | C17 | C18 | C19 | 175.5° | 180.0° |
| C17 | C16 | C15 | H17 | 56.5° | 60.0° |
| C17 | C16 | C15 | H18 | 62.4° | 60.0° |
| C17 | C16 | H19 | H20 | 118.2° | 120.1° |
| C16 | C17 | H21 | H22 | 118.2° | 120.1° |
| C16 | C17 | C18 | H23 | 54.6° | 60.1° |
| C16 | C17 | C18 | H24 | 63.7° | 60.0° |
| C17 | C18 | C19 | H23 | 120.8° | 120.0° |
| C17 | C18 | C19 | H24 | 120.8° | 120.0° |
| C17 | C18 | C19 | C20 | 178.6° | 180.0° |
| C18 | C17 | C16 | H19 | 61.7° | 60.1° |
| C18 | C17 | C16 | H20 | 57.1° | 60.0° |
| C18 | C17 | H21 | H22 | 118.1° | 120.0° |
| C17 | C18 | H23 | H24 | 117.4° | 120.0° |
| C17 | C18 | C19 | H25 | 60.9° | 60.0° |
| C17 | C18 | C19 | H26 | 58.1° | 60.0° |
| C18 | C19 | C20 | H25 | 120.5° | 120.0° |
| C18 | C19 | C20 | H26 | 120.5° | 120.0° |
| C18 | C19 | C20 | C21 | 154.6° | 180.0° |
| C19 | C18 | C17 | H21 | 63.9° | 60.0° |
| C19 | C18 | C17 | H22 | 54.9° | 60.0° |
| C19 | C18 | H23 | H24 | 117.4° | 120.0° |
| C18 | C19 | H25 | H26 | 118.5° | 120.0° |
| C18 | C19 | C20 | H28 | 33.7° | 60.0° |
| C18 | C19 | C20 | H29 | 84.5° | 60.0° |
| C22 | C21 | C20 | C19 | 68.2° | 180.0° |
| C22 | C21 | C20 | H30 | 120.6° | 120.0° |
| C22 | C21 | C20 | H31 | 120.6° | 120.0° |
| C22 | C21 | C20 | H28 | 52.7° | 60.0° |
| C22 | C21 | C20 | H29 | 170.9° | 60.0° |
| C22 | C21 | H30 | H31 | 118.0° | 119.9° |
| C21 | C22 | H32 | H33 | 120.0° | 119.9° |
| C21 | C22 | H32 | H34 | 120.0° | 120.0° |
| C21 | C22 | H33 | H34 | 120.0° | 120.0° |
| C19 | C20 | C21 | H28 | 120.9° | 120.0° |
| C19 | C20 | C21 | H29 | 120.9° | 120.0° |
| C20 | C19 | C18 | H23 | 57.8° | 60.0° |
| C20 | C19 | C18 | H24 | 60.6° | 60.0° |
| C20 | C19 | H25 | H26 | 118.5° | 120.0° |
| C19 | C20 | H28 | H29 | 117.2° | 120.0° |
| C19 | C20 | C21 | H30 | 52.4° | 60.0° |
| C19 | C20 | C21 | H31 | 171.2° | 60.0° |
| C21 | C20 | C19 | H25 | 84.9° | 60.0° |
| C21 | C20 | C19 | H26 | 34.1° | 60.0° |
| C21 | C20 | H28 | H29 | 117.2° | 120.0° |
| C20 | C21 | H30 | H31 | 118.1° | 120.0° |
| C20 | C21 | C22 | H32 | 180.0° | 60.0° |
| C20 | C21 | C22 | H33 | 60.0° | 60.0° |
| C20 | C21 | C22 | H34 | 60.0° | 180.0° |
| H1 | N | CA | H4 | 59.1° | 174.0° |
| H2 | N | CA | H4 | 179.1° | 50.1° |
| H4 | CA | CB | H5 | 68.5° | 174.7° |
| H4 | CA | CB | H6 | 172.6° | 65.2° |
| H5 | CB | CG | H7 | 166.5° | 65.9° |
| H6 | CB | CG | H7 | 74.6° | 174.2° |
| H7 | CG | CD1 | H8 | 59.8° | 59.9° |
| H7 | CG | CD1 | H9 | 60.2° | 179.8° |
| H7 | CG | CD1 | H10 | 179.8° | 60.2° |
| H7 | CG | CD2 | H11 | 60.5° | 60.0° |
| H7 | CG | CD2 | H12 | 59.5° | 60.1° |
| H7 | CG | CD2 | H13 | 179.5° | 180.0° |
| H8 | CD1 | H9 | H10 | 120.0° | 120.0° |
| H11 | CD2 | H12 | H13 | 120.0° | 120.1° |
| H14 | C1 | C2 | H27 | 57.1° | 62.4° |
| H15 | C1 | C2 | H27 | 176.2° | 57.6° |
| H17 | C15 | C16 | H19 | 177.1° | 180.0° |
| H17 | C15 | C16 | H20 | 64.1° | 60.0° |
| H18 | C15 | C16 | H19 | 58.2° | 60.0° |
| H18 | C15 | C16 | H20 | 177.0° | 180.0° |
| H19 | C16 | C17 | H21 | 177.7° | 180.0° |
| H19 | C16 | C17 | H22 | 58.9° | 59.9° |
| H20 | C16 | C17 | H21 | 63.5° | 59.9° |
| H20 | C16 | C17 | H22 | 177.7° | NaN° |
| H21 | C17 | C18 | H23 | 175.2° | 180.0° |
| H21 | C17 | C18 | H24 | 56.9° | 60.0° |
| H22 | C17 | C18 | H23 | 66.0° | 60.0° |
| H22 | C17 | C18 | H24 | 175.7° | 180.0° |
| H23 | C18 | C19 | H25 | 178.2° | 180.0° |
| H23 | C18 | C19 | H26 | 62.8° | 60.1° |
| H24 | C18 | C19 | H25 | 59.9° | 60.0° |
| H24 | C18 | C19 | H26 | 178.9° | 180.0° |
| H25 | C19 | C20 | H28 | 154.2° | 180.0° |
| H25 | C19 | C20 | H29 | 36.0° | 60.0° |
| H26 | C19 | C20 | H28 | 86.8° | 60.0° |
| H26 | C19 | C20 | H29 | 155.0° | 180.0° |
| H27 | C2 | C3 | H35 | 173.0° | 63.1° |
| H27 | C2 | C7 | H40 | 84.8° | 175.1° |
| H27 | C2 | C7 | H41 | 157.0° | 65.0° |
| H28 | C20 | C21 | H30 | 173.3° | 180.0° |
| H28 | C20 | C21 | H31 | 67.9° | 60.0° |
| H29 | C20 | C21 | H30 | 68.5° | 60.0° |
| H29 | C20 | C21 | H31 | 50.3° | 180.0° |
| H30 | C21 | C22 | H32 | 59.4° | 180.0° |
| H30 | C21 | C22 | H33 | 60.6° | 60.1° |
| H30 | C21 | C22 | H34 | 179.4° | 59.9° |
| H31 | C21 | C22 | H32 | 59.4° | 60.1° |
| H31 | C21 | C22 | H33 | 179.4° | 180.0° |
| H31 | C21 | C22 | H34 | 60.6° | 60.0° |
| H32 | C22 | H33 | H34 | 120.0° | 120.0° |
| H35 | C3 | C4 | H36 | 50.2° | 57.0° |
| H35 | C3 | O3 | H47 | 61.7° | 59.8° |
| H36 | C4 | C5 | H37 | 75.4° | 177.7° |
| H36 | C4 | O4 | H48 | 60.8° | 59.8° |
| H37 | C5 | C6 | H38 | 70.8° | 65.0° |
| H37 | C5 | C6 | H39 | 48.8° | 175.0° |
| H40 | C7 | C8 | H42 | 174.0° | 179.9° |
| H40 | C7 | C8 | H43 | 55.2° | 60.1° |
| H41 | C7 | C8 | H42 | 67.8° | 60.0° |
| H41 | C7 | C8 | H43 | 173.3° | 180.0° |
| H42 | C8 | C9 | H44 | 64.9° | 180.0° |
| H42 | C8 | C9 | H45 | 54.1° | 60.0° |
| H43 | C8 | C9 | H44 | 176.3° | 60.0° |
| H43 | C8 | C9 | H45 | 64.7° | 180.0° |
