OVZ
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 | 1.43Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.46Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| N3S | S | sing | 1.66Å | 1.60Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| 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 | 1.49Å | |
| N16 | C15 | sing | 1.47Å | 1.46Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 1.01Å | 1.00Å | |
| N | H17 | sing | 1.01Å | 1.00Å | |
| CA | H19 | sing | 1.09Å | 1.10Å | |
| CB | H20 | sing | 1.09Å | 1.10Å | |
| CB | H21 | sing | 1.09Å | 1.10Å | |
| CG | H22 | sing | 1.09Å | 1.10Å | |
| CD1 | H23 | sing | 1.09Å | 1.10Å | |
| CD1 | H24 | sing | 1.09Å | 1.10Å | |
| CD1 | H25 | sing | 1.09Å | 1.10Å | |
| CD2 | H26 | sing | 1.09Å | 1.10Å | |
| CD2 | H27 | sing | 1.09Å | 1.10Å | |
| CD2 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.08Å | 1.08Å | |
| C20 | H34 | sing | 1.08Å | 1.08Å | |
| C21 | H35 | sing | 1.08Å | 1.08Å | |
| C22 | H36 | sing | 1.08Å | 1.08Å | |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| N16 | H39 | sing | 1.01Å | 1.00Å | |
| N3S | H41 | sing | 0.97Å | 1.00Å | |
| O3 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CG | CB | 111.0° | 109.5° |
| CD1 | CG | CD2 | 110.6° | 109.5° |
| CD1 | CG | H22 | 108.1° | 109.5° |
| CG | CD1 | H23 | 109.5° | 109.5° |
| CG | CD1 | H24 | 109.5° | 109.4° |
| CG | CD1 | H25 | 109.5° | 109.5° |
| O4 | C4 | C5 | 110.3° | 109.5° |
| O4 | C4 | C3 | 110.9° | 109.5° |
| O4 | C4 | H2 | 109.3° | 109.5° |
| C4 | O4 | H3 | 109.5° | 114.0° |
| CB | CG | CD2 | 111.0° | 109.5° |
| CG | CB | CA | 119.2° | 109.5° |
| CG | CB | H20 | 107.0° | 109.5° |
| CG | CB | H21 | 107.0° | 109.5° |
| CB | CG | H22 | 108.1° | 109.5° |
| CD2 | CG | H22 | 108.1° | 109.5° |
| CG | CD2 | H26 | 109.5° | 109.5° |
| CG | CD2 | H27 | 109.4° | 109.5° |
| CG | CD2 | H28 | 109.5° | 109.5° |
| C5 | C4 | C3 | 110.1° | 109.2° |
| C4 | C5 | C6 | 111.4° | 109.4° |
| C4 | C5 | O5 | 111.2° | 109.4° |
| C5 | C4 | H2 | 108.0° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.4° |
| C4 | C3 | O3 | 110.1° | 109.6° |
| C4 | C3 | C2 | 112.2° | 109.1° |
| C3 | C4 | H2 | 108.0° | 109.5° |
| C4 | C3 | H38 | 107.7° | 109.6° |
| C6 | C5 | O5 | 107.2° | 109.5° |
| C5 | C6 | O6 | 107.0° | 109.4° |
| C6 | C5 | H4 | 108.7° | 109.5° |
| C5 | C6 | H5 | 110.1° | 109.5° |
| C5 | C6 | H6 | 110.1° | 109.5° |
| C5 | O5 | C1 | 113.1° | 114.1° |
| O5 | C5 | H4 | 109.8° | 109.5° |
| CB | CA | N | 113.2° | 109.5° |
| CB | CA | C | 108.4° | 109.5° |
| CB | CA | H19 | 107.7° | 109.5° |
| CA | CB | H20 | 107.0° | 109.4° |
| CA | CB | H21 | 107.0° | 109.4° |
| O5 | C1 | C2 | 111.3° | 109.4° |
| O5 | C1 | H29 | 109.0° | 109.5° |
| O5 | C1 | H30 | 109.0° | 109.5° |
| C1 | C2 | C3 | 108.8° | 109.2° |
| C1 | C2 | C7 | 110.2° | 109.5° |
| C1 | C2 | H1 | 108.8° | 109.5° |
| C2 | C1 | H29 | 109.0° | 109.5° |
| C2 | C1 | H30 | 109.0° | 109.4° |
| C6 | O6 | S | 118.0° | 114.0° |
| O6 | C6 | H5 | 110.1° | 109.5° |
| O6 | C6 | H6 | 110.1° | 109.5° |
| O3 | C3 | C2 | 110.2° | 109.5° |
| O3 | C3 | H38 | 109.0° | 109.6° |
| C3 | O3 | H42 | 109.5° | 114.0° |
| C3 | C2 | C7 | 111.9° | 109.5° |
| C3 | C2 | H1 | 108.5° | 109.6° |
| C2 | C3 | H38 | 107.6° | 109.5° |
| C2 | C7 | C8 | 114.7° | 109.5° |
| C7 | C2 | H1 | 108.6° | 109.5° |
| C2 | C7 | H7 | 108.2° | 109.5° |
| C2 | C7 | H8 | 108.2° | 109.5° |
| N | CA | C | 111.1° | 109.5° |
| CA | N | H16 | 109.5° | 111.0° |
| CA | N | H17 | 109.4° | 111.0° |
| N | CA | H19 | 108.5° | 109.5° |
| CA | C | N3S | 115.8° | 120.0° |
| CA | C | O | 121.0° | 120.0° |
| C | CA | H19 | 107.8° | 109.5° |
| O6 | S | N3S | 106.9° | 107.2° |
| O6 | S | O1S | 105.6° | 106.4° |
| O6 | S | O2S | 105.5° | 106.4° |
| N3S | C | O | 123.2° | 119.9° |
| C | N3S | S | 127.9° | 120.0° |
| C | N3S | H41 | 116.1° | 119.9° |
| C7 | C8 | C9 | 114.1° | 109.5° |
| C8 | C7 | H7 | 108.1° | 109.4° |
| C8 | C7 | H8 | 108.2° | 109.4° |
| C7 | C8 | H9 | 108.3° | 109.4° |
| C7 | C8 | H10 | 108.3° | 109.5° |
| N3S | S | O1S | 108.6° | 106.4° |
| N3S | S | O2S | 108.1° | 106.4° |
| S | N3S | H41 | 116.0° | 120.0° |
| C8 | C9 | N10 | 113.1° | 109.5° |
| C9 | C8 | H9 | 108.3° | 109.5° |
| C9 | C8 | H10 | 108.3° | 109.5° |
| C8 | C9 | H11 | 108.6° | 109.4° |
| C8 | C9 | H12 | 108.6° | 109.4° |
| O1S | S | O2S | 121.2° | 123.2° |
| C9 | N10 | N11 | 120.8° | 125.9° |
| C9 | N10 | C14 | 128.3° | 125.8° |
| N10 | C9 | H11 | 108.6° | 109.5° |
| N10 | C9 | H12 | 108.6° | 109.5° |
| N10 | N11 | N12 | 106.8° | 110.2° |
| N11 | N10 | C14 | 110.9° | 108.3° |
| N11 | N12 | C13 | 109.3° | 108.9° |
| N10 | C14 | C13 | 105.1° | 106.2° |
| N10 | C14 | H13 | 127.4° | 126.9° |
| N12 | C13 | C14 | 107.9° | 106.5° |
| N12 | C13 | C15 | 122.0° | 126.8° |
| C14 | C13 | C15 | 130.1° | 126.8° |
| C13 | C14 | H13 | 127.4° | 126.9° |
| C13 | C15 | N16 | 112.7° | 109.5° |
| C13 | C15 | H14 | 108.7° | 109.5° |
| C13 | C15 | H15 | 108.7° | 109.5° |
| C15 | N16 | C17 | 112.4° | 111.0° |
| N16 | C15 | H14 | 108.7° | 109.5° |
| N16 | C15 | H15 | 108.7° | 109.5° |
| C15 | N16 | H39 | 108.7° | 111.1° |
| N16 | C17 | C18 | 112.9° | 109.5° |
| N16 | C17 | H31 | 108.6° | 109.5° |
| N16 | C17 | H32 | 108.6° | 109.5° |
| C17 | N16 | H39 | 108.8° | 111.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C17 | C18 | C23 | 120.7° | 120.0° |
| C18 | C17 | H31 | 108.6° | 109.5° |
| C18 | C17 | H32 | 108.6° | 109.4° |
| C19 | C18 | C23 | 118.5° | 120.0° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C18 | C19 | H33 | 119.7° | 120.0° |
| C18 | C23 | C22 | 120.7° | 120.0° |
| C18 | C23 | H37 | 119.6° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.1° |
| C20 | C19 | H33 | 119.6° | 120.1° |
| C19 | C20 | H34 | 119.9° | 119.9° |
| C23 | C22 | C21 | 120.2° | 120.0° |
| C23 | C22 | H36 | 119.9° | 120.0° |
| C22 | C23 | H37 | 119.6° | 120.0° |
| C20 | C21 | C22 | 119.7° | 120.0° |
| C21 | C20 | H34 | 119.9° | 120.0° |
| C20 | C21 | H35 | 120.1° | 120.0° |
| C22 | C21 | H35 | 120.2° | 120.0° |
| C21 | C22 | H36 | 119.9° | 120.0° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.4° | 109.4° |
| H16 | N | H17 | 109.5° | 111.0° |
| H20 | CB | H21 | 109.5° | 109.5° |
| H23 | CD1 | H24 | 109.5° | 109.5° |
| H23 | CD1 | H25 | 109.4° | 109.5° |
| H24 | CD1 | H25 | 109.5° | 109.5° |
| H26 | CD2 | H27 | 109.5° | 109.5° |
| H26 | CD2 | H28 | 109.4° | 109.4° |
| H27 | CD2 | H28 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CG | CB | CD2 | 123.3° | 120.0° |
| CD1 | CG | CB | H22 | 118.3° | 120.0° |
| CD1 | CG | CD2 | H22 | 118.1° | 120.0° |
| CD1 | CG | CB | CA | 167.5° | 175.0° |
| CD1 | CG | CB | H20 | 71.2° | 55.0° |
| CD1 | CG | CB | H21 | 46.1° | 65.1° |
| CG | CD1 | H23 | H24 | 120.0° | 119.9° |
| CG | CD1 | H23 | H25 | 120.0° | 120.0° |
| CG | CD1 | H24 | H25 | 120.0° | 120.0° |
| CD1 | CG | CD2 | H26 | 180.0° | 60.1° |
| CD1 | CG | CD2 | H27 | 60.0° | 60.0° |
| CD1 | CG | CD2 | H28 | 60.0° | 180.0° |
| O4 | C4 | C5 | C3 | 122.8° | 119.9° |
| O4 | C4 | C5 | H2 | 119.4° | 120.2° |
| O4 | C4 | C3 | H2 | 119.8° | 120.1° |
| O4 | C4 | C5 | C6 | 142.6° | 62.5° |
| O4 | C4 | C5 | O5 | 97.9° | 177.5° |
| O4 | C4 | C3 | O3 | 61.1° | 57.0° |
| O4 | C4 | C3 | C2 | 62.1° | 176.9° |
| O4 | C4 | C5 | H4 | 22.9° | 57.5° |
| O4 | C4 | C3 | H38 | 179.7° | 63.2° |
| CB | CG | CD2 | H22 | 118.3° | 120.0° |
| CG | CB | CA | H20 | 121.4° | 120.0° |
| CG | CB | CA | H21 | 121.4° | 120.0° |
| CG | CB | CA | N | 74.0° | 65.0° |
| CG | CB | CA | C | 162.2° | 175.0° |
| CG | CB | CA | H19 | 45.9° | 55.0° |
| CG | CB | H20 | H21 | 115.6° | 120.1° |
| CB | CG | CD1 | H23 | 180.0° | 60.0° |
| CB | CG | CD1 | H24 | 60.0° | 180.0° |
| CB | CG | CD1 | H25 | 60.0° | 60.0° |
| CB | CG | CD2 | H26 | 56.4° | 180.0° |
| CB | CG | CD2 | H27 | 176.5° | 60.0° |
| CB | CG | CD2 | H28 | 63.6° | 60.0° |
| CD2 | CG | CB | CA | 69.2° | 65.0° |
| CD2 | CG | CB | H20 | 52.2° | 175.0° |
| CD2 | CG | CB | H21 | 169.4° | 55.0° |
| CD2 | CG | CD1 | H23 | 56.4° | 60.0° |
| CD2 | CG | CD1 | H24 | 176.4° | 60.0° |
| CD2 | CG | CD1 | H25 | 63.6° | 180.0° |
| CG | CD2 | H26 | H27 | 120.0° | 120.0° |
| CG | CD2 | H26 | H28 | 120.0° | 120.0° |
| CG | CD2 | H27 | H28 | 120.0° | 120.0° |
| C5 | C4 | C3 | H2 | 117.8° | 119.9° |
| C4 | C5 | C6 | O5 | 121.9° | 119.9° |
| C4 | C5 | C6 | H4 | 119.5° | 120.0° |
| C4 | C5 | O5 | H4 | 120.0° | 120.0° |
| C4 | C5 | O5 | C1 | 38.0° | 61.2° |
| C4 | C5 | C6 | O6 | 75.2° | 175.0° |
| C5 | C4 | C3 | O3 | 176.5° | 62.9° |
| C5 | C4 | C3 | C2 | 60.4° | 57.0° |
| C5 | C4 | O4 | H3 | 180.0° | 60.0° |
| C4 | C5 | C6 | H5 | 165.2° | 55.0° |
| C4 | C5 | C6 | H6 | 44.4° | 65.0° |
| C5 | C4 | C3 | H38 | 57.8° | 176.8° |
| C3 | C4 | C5 | C6 | 94.7° | 177.6° |
| C3 | C4 | C5 | O5 | 24.9° | 57.6° |
| C4 | C3 | C2 | C1 | 30.2° | 57.0° |
| C4 | C3 | O3 | C2 | 124.3° | 119.6° |
| C4 | C3 | O3 | H38 | 117.9° | 120.2° |
| C4 | C3 | C2 | H38 | 118.3° | 119.9° |
| C4 | C3 | C2 | C7 | 152.2° | 62.9° |
| C4 | C3 | C2 | H1 | 88.0° | 176.9° |
| C3 | C4 | O4 | H3 | 57.7° | 179.7° |
| C3 | C4 | C5 | H4 | 145.7° | 62.4° |
| C4 | C3 | O3 | H42 | 180.0° | 60.4° |
| C6 | C5 | O5 | H4 | 117.9° | 120.1° |
| C6 | C5 | O5 | C1 | 160.0° | 178.9° |
| C5 | C6 | O6 | H5 | 119.6° | 120.0° |
| C5 | C6 | O6 | H6 | 119.6° | 120.0° |
| C5 | C6 | O6 | S | 177.5° | 180.0° |
| C6 | C5 | C4 | H2 | 23.1° | 57.7° |
| C5 | C6 | H5 | H6 | 121.1° | 120.0° |
| C5 | O5 | C1 | C2 | 70.7° | 61.2° |
| O5 | C5 | C6 | O6 | 46.7° | 65.1° |
| O5 | C5 | C4 | H2 | 142.7° | 62.3° |
| O5 | C5 | C6 | H5 | 72.9° | 174.9° |
| O5 | C5 | C6 | H6 | 166.3° | 54.9° |
| C5 | O5 | C1 | H29 | 49.5° | 178.9° |
| C5 | O5 | C1 | H30 | 169.0° | 58.8° |
| CB | CA | N | C | 122.3° | 120.0° |
| CB | CA | N | H19 | 119.4° | 120.0° |
| CB | CA | C | H19 | 116.3° | 120.0° |
| CB | CA | C | N3S | 118.8° | 80.0° |
| CB | CA | C | O | 61.4° | 100.1° |
| CB | CA | N | H16 | 180.0° | 60.0° |
| CB | CA | N | H17 | 60.0° | 63.9° |
| CA | CB | H20 | H21 | 115.6° | 119.9° |
| CA | CB | CG | H22 | 49.1° | 55.0° |
| O5 | C1 | C2 | H29 | 120.3° | 120.0° |
| O5 | C1 | C2 | H30 | 120.2° | 120.0° |
| O5 | C1 | C2 | C3 | 31.3° | 57.6° |
| O5 | C1 | C2 | C7 | 91.6° | 62.3° |
| O5 | C1 | C2 | H1 | 149.4° | 177.6° |
| C1 | O5 | C5 | H4 | 82.0° | 58.8° |
| O5 | C1 | H29 | H30 | 119.2° | 120.1° |
| C1 | C2 | C3 | O3 | 153.3° | 62.9° |
| C1 | C2 | C3 | C7 | 122.0° | 119.9° |
| C1 | C2 | C3 | H1 | 118.2° | 120.0° |
| C1 | C2 | C7 | H1 | 119.0° | 120.1° |
| C1 | C2 | C7 | C8 | 129.9° | 65.3° |
| C1 | C2 | C7 | H7 | 9.1° | 54.6° |
| C1 | C2 | C7 | H8 | 109.3° | 174.7° |
| C2 | C1 | H29 | H30 | 119.2° | 120.0° |
| C1 | C2 | C3 | H38 | 88.0° | 176.8° |
| C6 | O6 | S | N3S | 48.2° | 75.0° |
| C6 | O6 | S | O1S | 67.4° | 38.6° |
| C6 | O6 | S | O2S | 163.2° | 171.4° |
| O6 | C6 | C5 | H4 | 165.4° | 55.0° |
| O6 | C6 | H5 | H6 | 121.2° | 120.0° |
| O3 | C3 | C2 | H38 | 118.7° | 120.2° |
| O3 | C3 | C2 | C7 | 84.7° | 177.2° |
| O3 | C3 | C2 | H1 | 35.1° | 57.0° |
| O3 | C3 | C4 | H2 | 58.7° | 177.2° |
| C3 | C2 | C7 | H1 | 119.8° | 120.2° |
| C3 | C2 | C7 | C8 | 108.9° | 175.0° |
| C2 | C3 | C4 | H2 | 178.1° | 63.0° |
| C3 | C2 | C7 | H7 | 130.3° | 65.0° |
| C3 | C2 | C7 | H8 | 11.9° | 55.0° |
| C3 | C2 | C1 | H29 | 88.9° | 177.6° |
| C3 | C2 | C1 | H30 | 151.6° | 62.4° |
| C2 | C3 | O3 | H42 | 55.7° | 180.0° |
| C2 | C7 | C8 | H7 | 120.8° | 120.0° |
| C2 | C7 | C8 | H8 | 120.8° | 120.0° |
| C2 | C7 | C8 | C9 | 168.3° | NaN° |
| C2 | C7 | H7 | H8 | 117.6° | 120.1° |
| C2 | C7 | C8 | H9 | 47.7° | 60.0° |
| C2 | C7 | C8 | H10 | 71.0° | 59.9° |
| C7 | C2 | C1 | H29 | 148.1° | 57.7° |
| C7 | C2 | C1 | H30 | 28.6° | 177.7° |
| C7 | C2 | C3 | H38 | 33.9° | 57.0° |
| N | CA | C | H19 | 118.7° | 120.0° |
| N | CA | C | N3S | 6.2° | 160.0° |
| N | CA | C | O | 173.5° | 20.0° |
| CA | N | H16 | H17 | 120.0° | 123.9° |
| N | CA | CB | H20 | 164.6° | 55.0° |
| N | CA | CB | H21 | 47.4° | 175.0° |
| CA | C | N3S | O | 179.7° | 179.9° |
| CA | C | N3S | S | 179.7° | 180.0° |
| C | CA | N | H16 | 57.7° | 60.0° |
| C | CA | N | H17 | 62.3° | 176.1° |
| C | CA | CB | H20 | 40.9° | 65.0° |
| C | CA | CB | H21 | 76.4° | 55.0° |
| CA | C | N3S | H41 | 0.3° | 0.0° |
| O6 | S | N3S | C | 66.0° | 65.0° |
| O6 | S | N3S | O1S | 113.6° | 113.5° |
| O6 | S | N3S | O2S | 113.2° | 113.5° |
| O6 | S | O1S | O2S | 119.6° | 122.9° |
| S | O6 | C6 | H5 | 62.9° | 60.0° |
| S | O6 | C6 | H6 | 57.9° | 60.0° |
| O6 | S | N3S | H41 | 114.0° | 115.0° |
| C | N3S | S | H41 | 180.0° | 180.0° |
| C | N3S | S | O1S | 179.5° | 178.6° |
| C | N3S | S | O2S | 47.3° | 48.5° |
| N3S | C | CA | H19 | 124.9° | 40.0° |
| O | C | N3S | S | 0.0° | 0.0° |
| O | C | CA | H19 | 54.8° | 140.0° |
| O | C | N3S | H41 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 120.7° | 120.0° |
| C7 | C8 | C9 | H10 | 120.7° | 120.0° |
| C7 | C8 | C9 | N10 | 83.5° | 180.0° |
| C8 | C7 | C2 | H1 | 10.9° | 54.8° |
| C8 | C7 | H7 | H8 | 117.6° | 120.0° |
| C7 | C8 | H9 | H10 | 117.9° | 119.9° |
| C7 | C8 | C9 | H11 | 37.0° | 60.0° |
| C7 | C8 | C9 | H12 | 155.9° | 60.0° |
| N3S | S | O1S | O2S | 126.0° | 123.0° |
| C8 | C9 | N10 | H11 | 120.5° | 120.0° |
| C8 | C9 | N10 | H12 | 120.6° | 120.0° |
| C8 | C9 | N10 | N11 | 73.3° | 55.3° |
| C8 | C9 | N10 | C14 | 109.1° | 125.0° |
| C9 | C8 | C7 | H7 | 70.9° | 60.0° |
| C9 | C8 | C7 | H8 | 47.5° | 60.0° |
| C9 | C8 | H9 | H10 | 117.9° | 120.0° |
| C8 | C9 | H11 | H12 | 118.4° | 120.0° |
| O1S | S | N3S | H41 | 0.5° | 1.5° |
| O2S | S | N3S | H41 | 132.8° | 131.5° |
| C9 | N10 | N11 | C14 | 178.0° | 179.7° |
| C9 | N10 | N11 | N12 | 177.6° | 179.8° |
| C9 | N10 | C14 | C13 | 177.3° | 180.0° |
| N10 | C9 | C8 | H9 | 155.8° | 60.0° |
| N10 | C9 | C8 | H10 | 37.2° | 60.0° |
| N10 | C9 | H11 | H12 | 118.3° | 120.1° |
| C9 | N10 | C14 | H13 | 2.7° | 0.0° |
| N10 | N11 | N12 | C13 | 0.1° | 0.4° |
| N11 | N10 | C14 | C13 | 0.5° | 0.3° |
| N11 | N10 | C9 | H11 | 166.1° | 175.3° |
| N11 | N10 | C9 | H12 | 47.2° | 64.6° |
| N11 | N10 | C14 | H13 | 179.5° | 179.7° |
| N12 | N11 | N10 | C14 | 0.4° | 0.4° |
| N11 | N12 | C13 | C14 | 0.2° | 0.3° |
| N11 | N12 | C13 | C15 | 179.2° | 179.7° |
| N10 | C14 | C13 | N12 | 0.4° | 0.0° |
| N10 | C14 | C13 | H13 | 180.0° | 180.0° |
| N10 | C14 | C13 | C15 | 178.9° | 179.9° |
| C14 | N10 | C9 | H11 | 11.5° | 5.0° |
| C14 | N10 | C9 | H12 | 130.4° | 115.0° |
| N12 | C13 | C14 | C15 | 179.3° | 179.9° |
| N12 | C13 | C15 | N16 | 139.0° | 85.0° |
| N12 | C13 | C14 | H13 | 179.6° | 180.0° |
| N12 | C13 | C15 | H14 | 100.5° | 35.1° |
| N12 | C13 | C15 | H15 | 18.5° | 155.0° |
| C14 | C13 | C15 | N16 | 41.8° | 95.0° |
| C14 | C13 | C15 | H14 | 78.7° | 145.0° |
| C14 | C13 | C15 | H15 | 162.3° | 25.0° |
| C13 | C15 | N16 | H14 | 120.5° | 120.0° |
| C13 | C15 | N16 | H15 | 120.5° | 120.0° |
| C13 | C15 | N16 | C17 | 172.3° | 180.0° |
| C15 | C13 | C14 | H13 | 1.1° | 0.1° |
| C13 | C15 | H14 | H15 | 118.5° | 120.0° |
| C13 | C15 | N16 | H39 | 51.8° | 56.0° |
| C15 | N16 | C17 | H39 | 120.5° | 124.0° |
| C15 | N16 | C17 | C18 | 112.3° | 180.0° |
| N16 | C15 | H14 | H15 | 118.5° | 120.0° |
| C15 | N16 | C17 | H31 | 8.2° | 60.0° |
| C15 | N16 | C17 | H32 | 127.2° | 60.0° |
| N16 | C17 | C18 | H31 | 120.5° | 120.0° |
| N16 | C17 | C18 | H32 | 120.5° | 120.0° |
| N16 | C17 | C18 | C19 | 3.4° | 90.0° |
| N16 | C17 | C18 | C23 | 177.1° | 90.3° |
| C17 | N16 | C15 | H14 | 67.2° | 60.0° |
| C17 | N16 | C15 | H15 | 51.8° | 60.0° |
| N16 | C17 | H31 | H32 | 118.5° | 120.0° |
| C17 | C18 | C19 | C23 | 179.6° | 179.7° |
| C17 | C18 | C19 | C20 | 179.5° | 180.0° |
| C17 | C18 | C23 | C22 | 179.5° | 179.8° |
| C18 | C17 | H31 | H32 | 118.4° | 120.0° |
| C17 | C18 | C19 | H33 | 0.5° | 0.0° |
| C17 | C18 | C23 | H37 | 0.5° | 0.0° |
| C18 | C17 | N16 | H39 | 127.2° | 56.0° |
| C18 | C19 | C20 | H33 | 180.0° | 180.0° |
| C19 | C18 | C23 | C22 | 0.0° | 0.5° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C18 | C17 | H31 | 123.9° | 150.0° |
| C19 | C18 | C17 | H32 | 117.2° | 30.0° |
| C18 | C19 | C20 | H34 | 180.0° | 179.9° |
| C19 | C18 | C23 | H37 | 179.9° | 179.7° |
| C23 | C18 | C19 | C20 | 0.1° | 0.3° |
| C18 | C23 | C22 | H37 | 180.0° | 179.8° |
| C18 | C23 | C22 | C21 | 0.0° | 0.5° |
| C23 | C18 | C17 | H31 | 56.6° | 29.7° |
| C23 | C18 | C17 | H32 | 62.4° | 149.8° |
| C23 | C18 | C19 | H33 | 179.9° | 179.7° |
| C18 | C23 | C22 | H36 | 180.0° | 179.7° |
| C19 | C20 | C21 | H34 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H35 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.0° | 0.2° |
| C23 | C22 | C21 | H36 | 180.0° | 179.8° |
| C23 | C22 | C21 | H35 | 180.0° | 179.8° |
| C20 | C21 | C22 | H35 | 180.0° | 180.0° |
| C21 | C20 | C19 | H33 | 180.0° | 180.0° |
| C20 | C21 | C22 | H36 | 180.0° | 180.0° |
| C22 | C21 | C20 | H34 | 180.0° | 180.0° |
| C21 | C22 | C23 | H37 | 180.0° | 179.7° |
| H1 | C2 | C7 | H7 | 109.9° | 174.8° |
| H1 | C2 | C7 | H8 | 131.7° | 65.2° |
| H1 | C2 | C1 | H29 | 29.2° | 62.4° |
| H1 | C2 | C1 | H30 | 90.3° | 57.5° |
| H1 | C2 | C3 | H38 | 153.7° | 63.2° |
| H2 | C4 | O4 | H3 | 61.3° | 60.2° |
| H2 | C4 | C5 | H4 | 96.5° | 177.7° |
| H2 | C4 | C3 | H38 | 59.9° | 56.9° |
| H4 | C5 | C6 | H5 | 45.7° | 64.9° |
| H4 | C5 | C6 | H6 | 75.1° | 175.0° |
| H7 | C7 | C8 | H9 | 168.4° | 180.0° |
| H7 | C7 | C8 | H10 | 49.8° | 60.0° |
| H8 | C7 | C8 | H9 | 73.1° | 60.1° |
| H8 | C7 | C8 | H10 | 168.2° | 180.0° |
| H9 | C8 | C9 | H11 | 83.6° | 180.0° |
| H9 | C8 | C9 | H12 | 35.3° | 60.0° |
| H10 | C8 | C9 | H11 | 157.7° | 60.0° |
| H10 | C8 | C9 | H12 | 83.4° | 180.0° |
| H14 | C15 | N16 | H39 | 172.3° | 176.1° |
| H15 | C15 | N16 | H39 | 68.7° | 63.9° |
| H16 | N | CA | H19 | 60.6° | 180.0° |
| H17 | N | CA | H19 | 179.4° | 56.1° |
| H19 | CA | CB | H20 | 75.5° | 175.0° |
| H19 | CA | CB | H21 | 167.3° | 65.0° |
| H20 | CB | CG | H22 | 170.5° | 65.0° |
| H21 | CB | CG | H22 | 72.2° | 175.0° |
| H22 | CG | CD1 | H23 | 61.7° | 180.0° |
| H22 | CG | CD1 | H24 | 58.3° | 60.0° |
| H22 | CG | CD1 | H25 | 178.3° | 60.0° |
| H22 | CG | CD2 | H26 | 61.9° | 59.9° |
| H22 | CG | CD2 | H27 | 58.1° | 180.0° |
| H22 | CG | CD2 | H28 | 178.1° | 60.0° |
| H23 | CD1 | H24 | H25 | 119.9° | 120.0° |
| H26 | CD2 | H27 | H28 | 120.0° | 119.9° |
| H31 | C17 | N16 | H39 | 112.2° | 64.0° |
| H32 | C17 | N16 | H39 | 6.7° | 176.0° |
| H33 | C19 | C20 | H34 | 0.0° | 0.1° |
| H34 | C20 | C21 | H35 | 0.0° | 0.0° |
| H35 | C21 | C22 | H36 | 0.0° | 0.0° |
| H36 | C22 | C23 | H37 | 0.0° | 0.0° |
| H38 | C3 | O3 | H42 | 62.1° | 59.8° |
