QTW
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 | |
| 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 | CD2 | 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 | |
| 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 | 1.54Å | |
| 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 | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| O2S | S | doub | 1.42Å | 1.42Å | |
| S | O1S | 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 | N16 | sing | 1.46Å | 1.45Å | |
| O17 | C17 | doub | 1.22Å | 1.23Å | |
| N16 | C17 | sing | 1.35Å | 1.34Å | |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| C18 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| CG | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| 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 | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| N3S | H35 | sing | 0.97Å | 1.00Å | |
| O3 | H36 | sing | 0.97Å | 0.95Å | |
| O4 | H37 | sing | 0.97Å | 0.95Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| N16 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CG | CB | 111.0° | 109.5° |
| CD1 | CG | CD2 | 110.5° | 109.4° |
| CD1 | CG | H1 | 108.1° | 109.5° |
| CG | CD1 | H8 | 109.5° | 109.5° |
| CG | CD1 | H9 | 109.5° | 109.5° |
| CG | CD1 | H10 | 109.4° | 109.5° |
| O4 | C4 | C5 | 109.0° | 109.6° |
| O4 | C4 | C3 | 109.9° | 109.5° |
| O4 | C4 | H25 | 109.7° | 109.6° |
| C4 | O4 | H37 | 109.5° | 114.0° |
| O5 | C5 | C4 | 115.1° | 109.4° |
| O5 | C5 | C6 | 109.0° | 109.5° |
| C5 | O5 | C1 | 113.6° | 114.1° |
| O5 | C5 | H26 | 106.4° | 109.5° |
| C4 | C5 | C6 | 114.7° | 109.5° |
| C5 | C4 | C3 | 111.5° | 109.2° |
| C5 | C4 | H25 | 108.3° | 109.5° |
| C4 | C5 | H26 | 105.4° | 109.5° |
| C5 | C6 | O6 | 109.3° | 109.5° |
| C6 | C5 | H26 | 105.4° | 109.5° |
| C5 | C6 | H27 | 109.6° | 109.5° |
| C5 | C6 | H28 | 109.5° | 109.4° |
| CB | CG | CD2 | 110.8° | 109.5° |
| CG | CB | CA | 117.7° | 109.5° |
| CB | CG | H1 | 108.1° | 109.5° |
| CG | CB | H2 | 107.4° | 109.5° |
| CG | CB | H3 | 107.4° | 109.5° |
| CD2 | CG | H1 | 108.2° | 109.4° |
| CG | CD2 | H11 | 109.5° | 109.4° |
| CG | CD2 | H12 | 109.5° | 109.5° |
| CG | CD2 | H13 | 109.5° | 109.5° |
| O5 | C1 | C2 | 112.4° | 109.4° |
| O5 | C1 | H14 | 108.7° | 109.5° |
| O5 | C1 | H15 | 108.7° | 109.5° |
| C4 | C3 | C2 | 112.8° | 109.0° |
| C4 | C3 | O3 | 109.2° | 109.6° |
| C4 | C3 | H24 | 107.8° | 109.6° |
| C3 | C4 | H25 | 108.4° | 109.6° |
| CB | CA | N | 115.2° | 109.5° |
| CB | CA | C | 107.6° | 109.5° |
| CA | CB | H2 | 107.4° | 109.5° |
| CA | CB | H3 | 107.3° | 109.4° |
| CB | CA | H4 | 108.3° | 109.4° |
| C6 | O6 | S | 118.0° | 114.0° |
| O6 | C6 | H27 | 109.5° | 109.5° |
| O6 | C6 | H28 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.2° |
| C1 | C2 | C7 | 106.9° | 109.6° |
| C2 | C1 | H14 | 108.7° | 109.5° |
| C2 | C1 | H15 | 108.7° | 109.5° |
| C1 | C2 | H19 | 109.7° | 109.5° |
| C2 | C3 | O3 | 110.1° | 109.5° |
| C3 | C2 | C7 | 112.1° | 109.5° |
| C3 | C2 | H19 | 109.5° | 109.6° |
| C2 | C3 | H24 | 107.7° | 109.5° |
| O3 | C3 | H24 | 109.1° | 109.5° |
| C3 | O3 | H36 | 109.5° | 114.0° |
| C2 | C7 | C8 | 116.2° | 109.5° |
| C7 | C2 | H19 | 109.5° | 109.5° |
| C2 | C7 | H29 | 107.8° | 109.4° |
| C2 | C7 | H30 | 107.8° | 109.5° |
| N | CA | C | 108.3° | 109.5° |
| N | CA | H4 | 109.1° | 109.5° |
| CA | N | H5 | 109.5° | 111.0° |
| CA | N | H6 | 109.5° | 111.0° |
| CA | C | N3S | 118.2° | 120.1° |
| CA | C | O | 121.8° | 120.0° |
| C | CA | H4 | 108.2° | 109.4° |
| O6 | S | N3S | 105.2° | 107.2° |
| O6 | S | O2S | 105.8° | 106.4° |
| O6 | S | O1S | 104.5° | 106.4° |
| N3S | C | O | 120.0° | 119.9° |
| C | N3S | S | 127.7° | 120.0° |
| C | N3S | H35 | 116.2° | 120.0° |
| N3S | S | O2S | 110.3° | 106.4° |
| N3S | S | O1S | 108.6° | 106.4° |
| S | N3S | H35 | 116.2° | 120.0° |
| C7 | C8 | C9 | 113.3° | 109.4° |
| C8 | C7 | H29 | 107.8° | 109.4° |
| C8 | C7 | H30 | 107.8° | 109.5° |
| C7 | C8 | H31 | 108.5° | 109.4° |
| C7 | C8 | H32 | 108.5° | 109.5° |
| C8 | C9 | N10 | 112.6° | 109.4° |
| C9 | C8 | H31 | 108.5° | 109.5° |
| C9 | C8 | H32 | 108.5° | 109.5° |
| C8 | C9 | H33 | 108.7° | 109.4° |
| C8 | C9 | H34 | 108.7° | 109.5° |
| O2S | S | O1S | 121.2° | 123.1° |
| C9 | N10 | N11 | 120.8° | 125.9° |
| C9 | N10 | C14 | 128.3° | 125.9° |
| N10 | C9 | H33 | 108.7° | 109.5° |
| N10 | C9 | H34 | 108.7° | 109.5° |
| N10 | N11 | N12 | 106.9° | 110.2° |
| N11 | N10 | C14 | 110.9° | 108.2° |
| N11 | N12 | C13 | 109.2° | 108.8° |
| N10 | C14 | C13 | 105.1° | 106.2° |
| N10 | C14 | H16 | 127.5° | 127.0° |
| N12 | C13 | C14 | 108.0° | 106.5° |
| N12 | C13 | C15 | 121.8° | 126.7° |
| C14 | C13 | C15 | 130.2° | 126.8° |
| C13 | C14 | H16 | 127.4° | 126.8° |
| C13 | C15 | N16 | 120.7° | 109.5° |
| C13 | C15 | H17 | 106.6° | 109.5° |
| C13 | C15 | H7 | 106.6° | 109.5° |
| C15 | N16 | C17 | 121.2° | 120.0° |
| N16 | C15 | H17 | 106.6° | 109.4° |
| N16 | C15 | H7 | 106.6° | 109.5° |
| C15 | N16 | H38 | 119.4° | 120.0° |
| O17 | C17 | N16 | 122.2° | 120.0° |
| O17 | C17 | C18 | 121.0° | 120.0° |
| N16 | C17 | C18 | 116.8° | 120.0° |
| C17 | N16 | H38 | 119.4° | 120.0° |
| C17 | C18 | C23 | 120.8° | 120.1° |
| C17 | C18 | C19 | 120.4° | 120.1° |
| C23 | C18 | C19 | 118.8° | 119.8° |
| C18 | C23 | C22 | 120.4° | 119.8° |
| C18 | C23 | H23 | 119.8° | 120.1° |
| C18 | C19 | C20 | 120.4° | 119.8° |
| C18 | C19 | H18 | 119.8° | 120.1° |
| C23 | C22 | C21 | 120.3° | 120.2° |
| C23 | C22 | H22 | 119.8° | 119.9° |
| C22 | C23 | H23 | 119.8° | 120.1° |
| C19 | C20 | C21 | 120.3° | 120.2° |
| C20 | C19 | H18 | 119.8° | 120.1° |
| C19 | C20 | H20 | 119.9° | 119.9° |
| C22 | C21 | C20 | 119.8° | 120.3° |
| C22 | C21 | H21 | 120.1° | 119.9° |
| C21 | C22 | H22 | 119.8° | 119.9° |
| C21 | C20 | H20 | 119.9° | 119.9° |
| C20 | C21 | H21 | 120.1° | 119.8° |
| H2 | CB | H3 | 109.5° | 109.5° |
| H5 | N | H6 | 109.5° | 111.1° |
| H8 | CD1 | H9 | 109.5° | 109.5° |
| H8 | CD1 | H10 | 109.5° | 109.5° |
| H9 | CD1 | H10 | 109.5° | 109.5° |
| H11 | CD2 | H12 | 109.5° | 109.5° |
| H11 | CD2 | H13 | 109.5° | 109.4° |
| H12 | CD2 | H13 | 109.4° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H17 | C15 | H7 | 109.4° | 109.5° |
| H27 | C6 | H28 | 109.5° | 109.5° |
| H29 | C7 | H30 | 109.5° | 109.5° |
| H31 | C8 | H32 | 109.5° | 109.5° |
| H33 | C9 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CG | CB | CD2 | 123.2° | 120.0° |
| CD1 | CG | CB | H1 | 118.5° | 120.0° |
| CD1 | CG | CD2 | H1 | 118.2° | 119.9° |
| CD1 | CG | CB | CA | 171.0° | 174.2° |
| CD1 | CG | CB | H2 | 67.8° | 65.8° |
| CD1 | CG | CB | H3 | 49.9° | 54.3° |
| CG | CD1 | H8 | H9 | 120.0° | 120.1° |
| CG | CD1 | H8 | H10 | 120.0° | 120.0° |
| CG | CD1 | H9 | H10 | 120.0° | 120.0° |
| CD1 | CG | CD2 | H11 | 180.0° | 180.0° |
| CD1 | CG | CD2 | H12 | 60.0° | 60.0° |
| CD1 | CG | CD2 | H13 | 60.0° | 60.0° |
| O4 | C4 | C5 | O5 | 76.5° | 177.5° |
| O4 | C4 | C5 | C3 | 121.4° | 119.9° |
| O4 | C4 | C5 | H25 | 119.4° | 120.2° |
| O4 | C4 | C5 | C6 | 155.8° | 62.5° |
| O4 | C4 | C3 | H25 | 119.9° | 120.2° |
| O4 | C4 | C3 | C2 | 74.9° | 176.9° |
| O4 | C4 | C3 | O3 | 47.8° | 57.1° |
| O4 | C4 | C3 | H24 | 166.2° | 63.2° |
| O4 | C4 | C5 | H26 | 40.3° | 57.5° |
| O5 | C5 | C4 | C6 | 127.6° | 120.0° |
| O5 | C5 | C4 | H26 | 116.9° | 120.0° |
| O5 | C5 | C6 | H26 | 113.9° | 120.0° |
| O5 | C5 | C4 | C3 | 44.9° | 57.6° |
| O5 | C5 | C6 | O6 | 76.7° | 64.9° |
| C5 | O5 | C1 | C2 | 57.8° | 61.1° |
| C5 | O5 | C1 | H14 | 178.2° | 178.9° |
| C5 | O5 | C1 | H15 | 62.6° | 58.8° |
| O5 | C5 | C4 | H25 | 164.1° | 62.3° |
| O5 | C5 | C6 | H27 | 43.2° | 175.0° |
| O5 | C5 | C6 | H28 | 163.3° | 55.1° |
| C4 | C5 | C6 | H26 | 115.5° | 120.0° |
| C4 | C5 | O5 | C1 | 51.2° | 61.1° |
| C5 | C4 | C3 | H25 | 119.1° | 119.9° |
| C4 | C5 | C6 | O6 | 53.9° | 175.1° |
| C5 | C4 | C3 | C2 | 46.0° | 57.0° |
| C5 | C4 | C3 | O3 | 168.8° | 62.9° |
| C5 | C4 | C3 | H24 | 72.8° | 176.9° |
| C4 | C5 | C6 | H27 | 173.9° | 55.0° |
| C4 | C5 | C6 | H28 | 66.0° | 64.9° |
| C5 | C4 | O4 | H37 | 180.0° | 60.3° |
| C6 | C5 | O5 | C1 | 79.3° | 178.8° |
| C6 | C5 | C4 | C3 | 82.7° | 177.6° |
| C5 | C6 | O6 | H27 | 120.0° | 120.0° |
| C5 | C6 | O6 | H28 | 120.0° | 120.0° |
| C5 | C6 | O6 | S | 164.6° | 180.0° |
| C6 | C5 | C4 | H25 | 36.5° | 57.7° |
| C5 | C6 | H27 | H28 | 120.1° | 119.9° |
| CB | CG | CD2 | H1 | 118.3° | 120.1° |
| CG | CB | CA | H2 | 121.2° | 120.0° |
| CG | CB | CA | H3 | 121.2° | 120.0° |
| CG | CB | CA | N | 70.1° | 65.3° |
| CG | CB | CA | C | 169.1° | 174.7° |
| CG | CB | H2 | H3 | 116.3° | 120.0° |
| CG | CB | CA | H4 | 52.4° | 54.8° |
| CB | CG | CD1 | H8 | 180.0° | 60.2° |
| CB | CG | CD1 | H9 | 60.0° | 179.7° |
| CB | CG | CD1 | H10 | 60.0° | 59.7° |
| CB | CG | CD2 | H11 | 56.5° | 60.0° |
| CB | CG | CD2 | H12 | 176.6° | 180.0° |
| CB | CG | CD2 | H13 | 63.5° | 59.9° |
| CD2 | CG | CB | CA | 65.8° | 65.8° |
| CD2 | CG | CB | H2 | 55.4° | 54.2° |
| CD2 | CG | CB | H3 | 173.0° | 174.3° |
| CD2 | CG | CD1 | H8 | 56.7° | 59.7° |
| CD2 | CG | CD1 | H9 | 176.7° | 60.3° |
| CD2 | CG | CD1 | H10 | 63.4° | 179.7° |
| CG | CD2 | H11 | H12 | 120.0° | 120.0° |
| CG | CD2 | H11 | H13 | 120.0° | 120.0° |
| CG | CD2 | H12 | H13 | 120.0° | 120.0° |
| O5 | C1 | C2 | H14 | 120.4° | 120.0° |
| O5 | C1 | C2 | H15 | 120.4° | 120.0° |
| O5 | C1 | C2 | C3 | 57.5° | 57.6° |
| O5 | C1 | C2 | C7 | 178.9° | 62.3° |
| O5 | C1 | H14 | H15 | 118.7° | 120.0° |
| O5 | C1 | C2 | H19 | 62.4° | 177.6° |
| C1 | O5 | C5 | H26 | 167.5° | 58.8° |
| C4 | C3 | C2 | C1 | 52.1° | 57.0° |
| C4 | C3 | C2 | O3 | 122.3° | 119.9° |
| C4 | C3 | C2 | H24 | 118.8° | 119.9° |
| C4 | C3 | O3 | H24 | 117.6° | 120.3° |
| C4 | C3 | C2 | C7 | 170.4° | 62.9° |
| C4 | C3 | C2 | H19 | 67.9° | 177.0° |
| C3 | C4 | C5 | H26 | 161.8° | 62.4° |
| C4 | C3 | O3 | H36 | 180.0° | 60.4° |
| C3 | C4 | O4 | H37 | 57.6° | 180.0° |
| CB | CA | N | C | 120.4° | 120.0° |
| CB | CA | N | H4 | 122.0° | 120.0° |
| CB | CA | C | H4 | 116.8° | 119.9° |
| CB | CA | C | N3S | 113.8° | 79.9° |
| CB | CA | C | O | 66.8° | 100.0° |
| CA | CB | CG | H1 | 52.6° | 54.2° |
| CA | CB | H2 | H3 | 116.2° | 119.9° |
| CB | CA | N | H5 | 180.0° | 53.7° |
| CB | CA | N | H6 | 60.0° | 70.3° |
| C6 | O6 | S | N3S | 51.8° | 75.0° |
| C6 | O6 | S | O2S | 64.9° | 171.4° |
| C6 | O6 | S | O1S | 166.2° | 38.6° |
| O6 | C6 | C5 | H26 | 169.4° | 55.0° |
| O6 | C6 | H27 | H28 | 120.1° | 120.0° |
| C1 | C2 | C3 | C7 | 118.3° | 120.0° |
| C1 | C2 | C3 | H19 | 120.1° | 119.9° |
| C1 | C2 | C3 | O3 | 174.4° | 62.9° |
| C1 | C2 | C7 | H19 | 118.8° | 120.1° |
| C1 | C2 | C7 | C8 | 161.0° | 64.9° |
| C2 | C1 | H14 | H15 | 118.7° | 120.0° |
| C1 | C2 | C3 | H24 | 66.7° | 177.0° |
| C1 | C2 | C7 | H29 | 40.0° | 55.0° |
| C1 | C2 | C7 | H30 | 78.1° | 175.0° |
| C2 | C3 | O3 | H24 | 118.0° | 120.2° |
| C3 | C2 | C7 | H19 | 121.7° | 120.2° |
| C3 | C2 | C7 | C8 | 79.5° | 175.3° |
| C3 | C2 | C1 | H14 | 177.9° | 177.6° |
| C3 | C2 | C1 | H15 | 62.9° | 62.4° |
| C2 | C3 | C4 | H25 | 165.1° | 62.9° |
| C3 | C2 | C7 | H29 | 159.5° | 64.7° |
| C3 | C2 | C7 | H30 | 41.4° | 55.3° |
| C2 | C3 | O3 | H36 | 55.6° | 180.0° |
| O3 | C3 | C2 | C7 | 67.3° | 177.2° |
| O3 | C3 | C2 | H19 | 54.4° | 57.1° |
| O3 | C3 | C4 | H25 | 72.1° | 177.2° |
| C2 | C7 | C8 | H29 | 121.0° | 119.9° |
| C2 | C7 | C8 | H30 | 121.0° | 120.1° |
| C2 | C7 | C8 | C9 | 171.3° | 180.0° |
| C7 | C2 | C1 | H14 | 60.6° | 57.6° |
| C7 | C2 | C1 | H15 | 58.5° | 177.7° |
| C7 | C2 | C3 | H24 | 51.5° | 57.0° |
| C2 | C7 | H29 | H30 | 116.9° | 120.0° |
| C2 | C7 | C8 | H31 | 50.7° | 60.1° |
| C2 | C7 | C8 | H32 | 68.1° | 59.9° |
| N | CA | C | H4 | 118.1° | 120.1° |
| N | CA | C | N3S | 11.3° | 160.0° |
| N | CA | C | O | 168.1° | 20.0° |
| N | CA | CB | H2 | 168.7° | 174.7° |
| N | CA | CB | H3 | 51.1° | 54.7° |
| CA | N | H5 | H6 | 120.0° | 124.0° |
| CA | C | N3S | O | 179.4° | 180.0° |
| CA | C | N3S | S | 173.9° | 180.0° |
| C | CA | CB | H2 | 47.9° | 54.7° |
| C | CA | CB | H3 | 69.7° | 65.4° |
| C | CA | N | H5 | 59.6° | 66.3° |
| C | CA | N | H6 | 60.5° | 169.7° |
| CA | C | N3S | H35 | 6.1° | 0.0° |
| O6 | S | N3S | C | 68.9° | 65.0° |
| O6 | S | N3S | O2S | 113.6° | 113.5° |
| O6 | S | N3S | O1S | 111.5° | 113.6° |
| O6 | S | O2S | O1S | 118.4° | 122.9° |
| S | O6 | C6 | H27 | 75.4° | 60.0° |
| S | O6 | C6 | H28 | 44.6° | 60.0° |
| O6 | S | N3S | H35 | 111.0° | 115.0° |
| C | N3S | S | H35 | 180.0° | 179.9° |
| C | N3S | S | O2S | 177.5° | 48.6° |
| C | N3S | S | O1S | 42.5° | 178.6° |
| N3S | C | CA | H4 | 129.4° | 40.0° |
| O | C | N3S | S | 5.5° | 0.0° |
| O | C | CA | H4 | 50.0° | 140.0° |
| O | C | N3S | H35 | 174.5° | 180.0° |
| N3S | S | O2S | O1S | 128.4° | 122.9° |
| C7 | C8 | C9 | H31 | 120.6° | 119.9° |
| C7 | C8 | C9 | H32 | 120.6° | 120.0° |
| C7 | C8 | C9 | N10 | 67.4° | 180.0° |
| C8 | C7 | C2 | H19 | 42.2° | 55.2° |
| C8 | C7 | H29 | H30 | 116.9° | 120.0° |
| C7 | C8 | H31 | H32 | 118.3° | 120.0° |
| C7 | C8 | C9 | H33 | 53.0° | 60.1° |
| C7 | C8 | C9 | H34 | 172.1° | 60.0° |
| C8 | C9 | N10 | H33 | 120.5° | 119.9° |
| C8 | C9 | N10 | H34 | 120.5° | 120.0° |
| C8 | C9 | N10 | N11 | 83.3° | 55.0° |
| C8 | C9 | N10 | C14 | 96.7° | 125.0° |
| C9 | C8 | C7 | H29 | 67.7° | 60.1° |
| C9 | C8 | C7 | H30 | 50.3° | 59.9° |
| C9 | C8 | H31 | H32 | 118.2° | 120.1° |
| C8 | C9 | H33 | H34 | 118.6° | 120.0° |
| O2S | S | N3S | H35 | 2.6° | 131.5° |
| O1S | S | N3S | H35 | 137.5° | 1.4° |
| C9 | N10 | N11 | C14 | 180.0° | 180.0° |
| C9 | N10 | N11 | N12 | 180.0° | 179.8° |
| C9 | N10 | C14 | C13 | 179.9° | 180.0° |
| C9 | N10 | C14 | H16 | 0.1° | 0.1° |
| N10 | C9 | C8 | H31 | 172.0° | 60.1° |
| N10 | C9 | C8 | H32 | 53.2° | 60.0° |
| N10 | C9 | H33 | H34 | 118.6° | 120.0° |
| N10 | N11 | N12 | C13 | 0.1° | 0.4° |
| N11 | N10 | C14 | C13 | 0.1° | 0.0° |
| N11 | N10 | C14 | H16 | 179.9° | 180.0° |
| N11 | N10 | C9 | H33 | 156.2° | 174.9° |
| N11 | N10 | C9 | H34 | 37.2° | 65.0° |
| N12 | N11 | N10 | C14 | 0.0° | 0.3° |
| N11 | N12 | C13 | C14 | 0.2° | 0.4° |
| N11 | N12 | C13 | C15 | 179.4° | 179.8° |
| N10 | C14 | C13 | N12 | 0.2° | 0.2° |
| N10 | C14 | C13 | H16 | 180.0° | 180.0° |
| N10 | C14 | C13 | C15 | 179.4° | 180.0° |
| C14 | N10 | C9 | H33 | 23.8° | 5.0° |
| C14 | N10 | C9 | H34 | 142.8° | 115.0° |
| N12 | C13 | C14 | C15 | 179.5° | 179.8° |
| N12 | C13 | C15 | N16 | 156.8° | 84.7° |
| N12 | C13 | C14 | H16 | 179.8° | 179.7° |
| N12 | C13 | C15 | H17 | 35.2° | 35.2° |
| N12 | C13 | C15 | H7 | 81.7° | 155.3° |
| C14 | C13 | C15 | N16 | 23.8° | 95.0° |
| C14 | C13 | C15 | H17 | 145.4° | 145.0° |
| C14 | C13 | C15 | H7 | 97.8° | 25.0° |
| C13 | C15 | N16 | H17 | 121.6° | 120.0° |
| C13 | C15 | N16 | H7 | 121.6° | 120.0° |
| C13 | C15 | N16 | C17 | 170.4° | 180.0° |
| C15 | C13 | C14 | H16 | 0.7° | 0.0° |
| C13 | C15 | H17 | H7 | 115.0° | 120.0° |
| C13 | C15 | N16 | H38 | 9.6° | 0.0° |
| C15 | N16 | C17 | O17 | 3.2° | 0.0° |
| C15 | N16 | C17 | H38 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 176.7° | 180.0° |
| N16 | C15 | H17 | H7 | 114.9° | 120.0° |
| O17 | C17 | N16 | C18 | 179.9° | 179.9° |
| O17 | C17 | C18 | C23 | 2.5° | 0.1° |
| O17 | C17 | C18 | C19 | 179.0° | 179.7° |
| O17 | C17 | N16 | H38 | 176.8° | 180.0° |
| N16 | C17 | C18 | C23 | 177.5° | 180.0° |
| N16 | C17 | C18 | C19 | 1.0° | 0.2° |
| C17 | N16 | C15 | H17 | 68.1° | 60.0° |
| C17 | N16 | C15 | H7 | 48.8° | 60.0° |
| C17 | C18 | C23 | C19 | 178.5° | 179.8° |
| C17 | C18 | C23 | C22 | 178.3° | 179.7° |
| C17 | C18 | C19 | C20 | 178.4° | 180.0° |
| C17 | C18 | C19 | H18 | 1.7° | 0.0° |
| C17 | C18 | C23 | H23 | 1.7° | 0.0° |
| C18 | C17 | N16 | H38 | 3.3° | 0.1° |
| C18 | C23 | C22 | H23 | 180.0° | 179.7° |
| C23 | C18 | C19 | C20 | 0.2° | 0.2° |
| C18 | C23 | C22 | C21 | 0.2° | 0.5° |
| C23 | C18 | C19 | H18 | 179.8° | 179.8° |
| C18 | C23 | C22 | H22 | 179.8° | 179.7° |
| C19 | C18 | C23 | C22 | 0.3° | 0.5° |
| C18 | C19 | C20 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C18 | C23 | H23 | 179.7° | 179.8° |
| C23 | C22 | C21 | H22 | 180.0° | 179.8° |
| C23 | C22 | C21 | C20 | 0.0° | 0.2° |
| C23 | C22 | C21 | H21 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | H20 | 179.9° | 180.0° |
| C21 | C22 | C23 | H23 | 179.8° | 179.8° |
| C21 | C20 | C19 | H18 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H1 | CG | CB | H2 | 173.8° | 174.2° |
| H1 | CG | CB | H3 | 68.6° | 65.7° |
| H1 | CG | CD1 | H8 | 61.6° | 179.7° |
| H1 | CG | CD1 | H9 | 58.5° | 59.6° |
| H1 | CG | CD1 | H10 | 178.4° | 60.4° |
| H1 | CG | CD2 | H11 | 61.8° | 60.1° |
| H1 | CG | CD2 | H12 | 58.2° | 60.0° |
| H1 | CG | CD2 | H13 | 178.2° | 180.0° |
| H2 | CB | CA | H4 | 68.8° | 65.3° |
| H3 | CB | CA | H4 | 173.6° | 174.7° |
| H4 | CA | N | H5 | 58.0° | 173.7° |
| H4 | CA | N | H6 | 178.0° | 49.7° |
| H8 | CD1 | H9 | H10 | 120.0° | 120.0° |
| H11 | CD2 | H12 | H13 | 120.0° | 120.0° |
| H14 | C1 | C2 | H19 | 58.0° | 62.5° |
| H15 | C1 | C2 | H19 | 177.1° | 57.6° |
| H17 | C15 | N16 | H38 | 111.9° | 120.0° |
| H18 | C19 | C20 | H20 | 0.0° | 0.0° |
| H19 | C2 | C3 | H24 | 173.2° | 63.1° |
| H19 | C2 | C7 | H29 | 78.8° | 175.1° |
| H19 | C2 | C7 | H30 | 163.2° | 64.9° |
| H20 | C20 | C21 | H21 | 0.1° | 0.1° |
| H21 | C21 | C22 | H22 | 0.0° | 0.1° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
| H24 | C3 | C4 | H25 | 46.3° | 57.0° |
| H24 | C3 | O3 | H36 | 62.5° | 59.9° |
| H25 | C4 | C5 | H26 | 79.0° | 177.7° |
| H25 | C4 | O4 | H37 | 61.5° | 59.8° |
| H26 | C5 | C6 | H27 | 70.6° | 65.0° |
| H26 | C5 | C6 | H28 | 49.4° | 175.1° |
| H29 | C7 | C8 | H31 | 171.7° | 180.0° |
| H29 | C7 | C8 | H32 | 52.8° | 60.0° |
| H30 | C7 | C8 | H31 | 70.2° | 60.0° |
| H30 | C7 | C8 | H32 | 170.9° | 180.0° |
| H31 | C8 | C9 | H33 | 67.5° | 180.0° |
| H31 | C8 | C9 | H34 | 51.5° | 59.9° |
| H32 | C8 | C9 | H33 | 173.6° | 60.0° |
| H32 | C8 | C9 | H34 | 67.3° | 180.0° |
| H7 | C15 | N16 | H38 | 131.2° | 120.0° |
