OVT
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 | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| 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 | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| 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 | 1.60Å | |
| C | N3S | sing | 1.35Å | 1.41Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N3S | S | sing | 1.66Å | 1.59Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| O1S | S | doub | 1.42Å | 1.42Å | |
| S | O2S | doub | 1.42Å | 1.42Å | |
| C9 | N10 | sing | 1.47Å | 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 | 1.51Å | 1.51Å | |
| C22 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| 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 | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.08Å | 1.08Å | |
| C19 | H34 | sing | 1.08Å | 1.08Å | |
| C20 | H35 | sing | 1.08Å | 1.08Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| C22 | H37 | sing | 1.08Å | 1.08Å | |
| N3S | H38 | sing | 0.97Å | 1.00Å | |
| O3 | H39 | sing | 0.97Å | 0.95Å | |
| O4 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 109.7° | 109.5° |
| CD2 | CG | CD1 | 110.6° | 109.5° |
| CD2 | CG | H21 | 108.7° | 109.5° |
| CG | CD2 | H25 | 109.5° | 109.5° |
| CG | CD2 | H26 | 109.5° | 109.5° |
| CG | CD2 | H27 | 109.5° | 109.5° |
| O4 | C4 | C5 | 108.6° | 109.6° |
| O4 | C4 | C3 | 108.8° | 109.5° |
| O4 | C4 | H5 | 110.4° | 109.6° |
| C4 | O4 | H40 | 109.5° | 114.0° |
| O5 | C5 | C4 | 114.9° | 109.4° |
| O5 | C5 | C6 | 109.6° | 109.4° |
| C5 | O5 | C1 | 113.9° | 114.1° |
| O5 | C5 | H6 | 106.1° | 109.5° |
| C4 | C5 | C6 | 115.1° | 109.5° |
| C5 | C4 | C3 | 110.9° | 109.2° |
| C5 | C4 | H5 | 109.0° | 109.5° |
| C4 | C5 | H6 | 105.1° | 109.5° |
| C5 | C6 | O6 | 109.6° | 109.5° |
| C6 | C5 | H6 | 105.1° | 109.5° |
| C5 | C6 | H7 | 109.4° | 109.4° |
| C5 | C6 | H8 | 109.4° | 109.5° |
| CB | CG | CD1 | 110.3° | 109.5° |
| CG | CB | CA | 113.3° | 109.5° |
| CG | CB | H19 | 108.5° | 109.4° |
| CG | CB | H20 | 108.5° | 109.5° |
| CB | CG | H21 | 108.8° | 109.5° |
| CD1 | CG | H21 | 108.7° | 109.4° |
| CG | CD1 | H22 | 109.5° | 109.5° |
| CG | CD1 | H23 | 109.5° | 109.5° |
| CG | CD1 | H24 | 109.5° | 109.5° |
| O5 | C1 | C2 | 112.5° | 109.4° |
| O5 | C1 | H1 | 108.7° | 109.5° |
| O5 | C1 | H2 | 108.7° | 109.5° |
| C4 | C3 | C2 | 111.5° | 109.0° |
| C4 | C3 | O3 | 109.1° | 109.5° |
| C4 | C3 | H4 | 108.4° | 109.6° |
| C3 | C4 | H5 | 109.1° | 109.5° |
| CB | CA | N | 112.1° | 109.5° |
| CB | CA | C | 108.8° | 109.5° |
| CB | CA | H18 | 108.7° | 109.4° |
| CA | CB | H19 | 108.5° | 109.5° |
| CA | CB | H20 | 108.5° | 109.5° |
| C6 | O6 | S | 119.1° | 114.0° |
| O6 | C6 | H7 | 109.4° | 109.4° |
| O6 | C6 | H8 | 109.5° | 109.5° |
| C1 | C2 | C3 | 108.9° | 109.2° |
| C1 | C2 | C7 | 108.8° | 109.5° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.7° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.6° |
| C3 | C2 | C7 | 111.6° | 109.5° |
| C3 | C2 | H3 | 109.1° | 109.6° |
| C2 | C3 | H4 | 108.2° | 109.5° |
| O3 | C3 | H4 | 109.6° | 109.6° |
| C3 | O3 | H39 | 109.5° | 114.0° |
| C2 | C7 | C8 | 114.9° | 109.5° |
| C7 | C2 | H3 | 109.1° | 109.5° |
| C2 | C7 | H9 | 108.1° | 109.5° |
| C2 | C7 | H10 | 108.1° | 109.5° |
| N | CA | C | 109.0° | 109.5° |
| CA | N | H15 | 109.5° | 111.0° |
| CA | N | H16 | 109.5° | 110.9° |
| N | CA | H18 | 109.4° | 109.4° |
| CA | C | N3S | 116.9° | 120.0° |
| CA | C | O | 123.0° | 120.0° |
| C | CA | H18 | 108.8° | 109.5° |
| O6 | S | N3S | 104.6° | 107.2° |
| O6 | S | O1S | 107.1° | 106.4° |
| O6 | S | O2S | 104.0° | 106.4° |
| N3S | C | O | 120.1° | 120.0° |
| C | N3S | S | 125.2° | 120.0° |
| C | N3S | H38 | 117.4° | 119.9° |
| N3S | S | O1S | 108.1° | 106.4° |
| N3S | S | O2S | 110.6° | 106.4° |
| S | N3S | H38 | 117.4° | 120.1° |
| C7 | C8 | C9 | 113.7° | 109.5° |
| C8 | C7 | H9 | 108.1° | 109.4° |
| C8 | C7 | H10 | 108.1° | 109.4° |
| C7 | C8 | H11 | 108.4° | 109.5° |
| C7 | C8 | H12 | 108.4° | 109.5° |
| C8 | C9 | N10 | 112.7° | 109.5° |
| C9 | C8 | H11 | 108.4° | 109.4° |
| C9 | C8 | H12 | 108.4° | 109.5° |
| C8 | C9 | H13 | 108.7° | 109.5° |
| C8 | C9 | H14 | 108.7° | 109.5° |
| O1S | S | O2S | 121.1° | 123.2° |
| C9 | N10 | N11 | 120.8° | 125.8° |
| C9 | N10 | C14 | 128.3° | 125.9° |
| N10 | C9 | H13 | 108.6° | 109.4° |
| N10 | C9 | H14 | 108.6° | 109.4° |
| N10 | N11 | N12 | 106.9° | 110.2° |
| N11 | N10 | C14 | 110.9° | 108.3° |
| N11 | N12 | C13 | 109.1° | 108.9° |
| N10 | C14 | C13 | 105.0° | 106.2° |
| N10 | C14 | H28 | 127.5° | 126.9° |
| N12 | C13 | C14 | 108.1° | 106.5° |
| N12 | C13 | C15 | 121.4° | 126.8° |
| C14 | C13 | C15 | 130.5° | 126.8° |
| C13 | C14 | H28 | 127.5° | 126.8° |
| C13 | C15 | C16 | 117.0° | 109.5° |
| C13 | C15 | H29 | 107.6° | 109.5° |
| C13 | C15 | H30 | 107.6° | 109.5° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H29 | 107.6° | 109.5° |
| C16 | C15 | H30 | 107.6° | 109.4° |
| C15 | C16 | H31 | 108.8° | 109.5° |
| C15 | C16 | H32 | 108.8° | 109.5° |
| C16 | C17 | C22 | 120.7° | 120.0° |
| C16 | C17 | C18 | 120.9° | 120.0° |
| C17 | C16 | H31 | 108.8° | 109.5° |
| C17 | C16 | H32 | 108.8° | 109.5° |
| C17 | C22 | C21 | 120.8° | 120.1° |
| C22 | C17 | C18 | 118.4° | 120.0° |
| C17 | C22 | H37 | 119.6° | 120.0° |
| C22 | C21 | C20 | 120.2° | 119.9° |
| C22 | C21 | H36 | 119.9° | 120.0° |
| C21 | C22 | H37 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C17 | C18 | H33 | 119.6° | 120.0° |
| C21 | C20 | C19 | 119.7° | 120.0° |
| C21 | C20 | H35 | 120.2° | 119.9° |
| C20 | C21 | H36 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H33 | 119.7° | 120.0° |
| C18 | C19 | H34 | 119.9° | 120.0° |
| C20 | C19 | H34 | 119.9° | 120.0° |
| C19 | C20 | H35 | 120.2° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | N | H16 | 109.5° | 111.0° |
| H19 | CB | H20 | 109.5° | 109.4° |
| H22 | CD1 | H23 | 109.5° | 109.4° |
| H22 | CD1 | H24 | 109.4° | 109.4° |
| H23 | CD1 | H24 | 109.5° | 109.5° |
| H25 | CD2 | H26 | 109.4° | 109.4° |
| H25 | CD2 | H27 | 109.5° | 109.5° |
| H26 | CD2 | H27 | 109.5° | 109.4° |
| H29 | C15 | H30 | 109.5° | 109.5° |
| H31 | C16 | H32 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 122.0° | 120.0° |
| CD2 | CG | CB | H21 | 118.8° | 120.0° |
| CD2 | CG | CD1 | H21 | 119.3° | 120.0° |
| CD2 | CG | CB | CA | 168.7° | 65.0° |
| CD2 | CG | CB | H19 | 70.8° | 175.0° |
| CD2 | CG | CB | H20 | 48.1° | 55.0° |
| CD2 | CG | CD1 | H22 | 180.0° | 60.0° |
| CD2 | CG | CD1 | H23 | 60.0° | 60.0° |
| CD2 | CG | CD1 | H24 | 60.0° | 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° |
| O4 | C4 | C5 | O5 | 72.3° | 177.5° |
| O4 | C4 | C5 | C3 | 119.6° | 119.9° |
| O4 | C4 | C5 | H5 | 120.3° | 120.2° |
| O4 | C4 | C5 | C6 | 158.9° | 62.5° |
| O4 | C4 | C3 | H5 | 120.5° | 120.2° |
| O4 | C4 | C3 | C2 | 69.5° | 176.9° |
| O4 | C4 | C3 | O3 | 52.1° | 57.1° |
| O4 | C4 | C3 | H4 | 171.4° | 63.2° |
| O4 | C4 | C5 | H6 | 43.8° | 57.5° |
| O5 | C5 | C4 | C6 | 128.8° | 119.9° |
| O5 | C5 | C4 | H6 | 116.2° | 120.0° |
| O5 | C5 | C6 | H6 | 113.6° | 120.0° |
| O5 | C5 | C4 | C3 | 47.2° | 57.6° |
| O5 | C5 | C6 | O6 | 73.3° | 65.0° |
| C5 | O5 | C1 | C2 | 55.8° | 61.1° |
| C5 | O5 | C1 | H1 | 176.3° | 178.9° |
| C5 | O5 | C1 | H2 | 64.6° | 58.8° |
| O5 | C5 | C4 | H5 | 167.3° | 62.3° |
| O5 | C5 | C6 | H7 | 46.7° | 175.0° |
| O5 | C5 | C6 | H8 | 166.7° | 55.0° |
| C4 | C5 | C6 | H6 | 115.1° | 120.1° |
| C4 | C5 | O5 | C1 | 50.4° | 61.2° |
| C5 | C4 | C3 | H5 | 120.0° | 119.9° |
| C4 | C5 | C6 | O6 | 58.0° | 175.0° |
| C5 | C4 | C3 | C2 | 49.9° | 57.0° |
| C5 | C4 | C3 | O3 | 171.6° | 62.9° |
| C5 | C4 | C3 | H4 | 69.1° | 176.8° |
| C4 | C5 | C6 | H7 | 178.1° | 55.1° |
| C4 | C5 | C6 | H8 | 62.0° | 64.9° |
| C5 | C4 | O4 | H40 | 180.0° | 60.4° |
| C6 | C5 | O5 | C1 | 81.0° | 178.9° |
| C6 | C5 | C4 | C3 | 81.5° | 177.6° |
| C5 | C6 | O6 | H7 | 120.0° | 119.9° |
| C5 | C6 | O6 | H8 | 120.0° | 120.0° |
| C5 | C6 | O6 | S | 167.3° | 180.0° |
| C6 | C5 | C4 | H5 | 38.6° | 57.7° |
| C5 | C6 | H7 | H8 | 119.9° | 120.1° |
| CB | CG | CD1 | H21 | 119.2° | 120.0° |
| CG | CB | CA | H19 | 120.6° | 120.0° |
| CG | CB | CA | H20 | 120.5° | 120.1° |
| CG | CB | CA | N | 67.9° | 64.9° |
| CG | CB | CA | C | 171.5° | 175.0° |
| CG | CB | CA | H18 | 53.2° | 55.0° |
| CG | CB | H19 | H20 | 118.3° | 120.0° |
| CB | CG | CD1 | H22 | 58.5° | 60.0° |
| CB | CG | CD1 | H23 | 178.5° | 180.0° |
| CB | CG | CD1 | H24 | 61.5° | 60.0° |
| CB | CG | CD2 | H25 | 180.0° | 60.0° |
| CB | CG | CD2 | H26 | 60.0° | 180.0° |
| CB | CG | CD2 | H27 | 60.0° | 60.0° |
| CD1 | CG | CB | CA | 69.3° | 175.0° |
| CD1 | CG | CB | H19 | 51.3° | 55.0° |
| CD1 | CG | CB | H20 | 170.2° | 65.0° |
| 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 | 58.2° | 180.0° |
| CD1 | CG | CD2 | H26 | 178.1° | 60.0° |
| CD1 | CG | CD2 | H27 | 61.8° | 60.0° |
| O5 | C1 | C2 | H1 | 120.4° | 120.0° |
| O5 | C1 | C2 | H2 | 120.4° | 119.9° |
| O5 | C1 | C2 | C3 | 57.5° | 57.6° |
| O5 | C1 | C2 | C7 | 179.4° | 62.3° |
| O5 | C1 | H1 | H2 | 118.6° | 120.0° |
| O5 | C1 | C2 | H3 | 61.6° | 177.6° |
| C1 | O5 | C5 | H6 | 166.0° | 58.9° |
| C4 | C3 | C2 | C1 | 55.1° | 57.0° |
| C4 | C3 | C2 | O3 | 121.1° | 119.8° |
| C4 | C3 | C2 | H4 | 119.1° | 119.9° |
| C4 | C3 | O3 | H4 | 118.5° | 120.3° |
| C4 | C3 | C2 | C7 | 175.2° | 62.9° |
| C4 | C3 | C2 | H3 | 64.2° | 176.9° |
| C3 | C4 | C5 | H6 | 163.4° | 62.4° |
| C4 | C3 | O3 | H39 | 180.0° | 60.5° |
| C3 | C4 | O4 | H40 | 59.2° | 180.0° |
| CB | CA | N | C | 120.5° | 120.0° |
| CB | CA | N | H18 | 120.7° | 119.9° |
| CB | CA | C | H18 | 118.2° | 120.0° |
| CB | CA | C | N3S | 115.0° | 80.0° |
| CB | CA | C | O | 64.2° | 100.1° |
| CB | CA | N | H15 | 180.0° | 176.0° |
| CB | CA | N | H16 | 60.0° | 60.0° |
| CA | CB | H19 | H20 | 118.2° | 120.0° |
| CA | CB | CG | H21 | 49.8° | 55.0° |
| C6 | O6 | S | N3S | 51.4° | 74.9° |
| C6 | O6 | S | O1S | 63.2° | 38.5° |
| C6 | O6 | S | O2S | 167.5° | 171.5° |
| O6 | C6 | C5 | H6 | 173.1° | 55.0° |
| O6 | C6 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C3 | C7 | 120.1° | 119.9° |
| C1 | C2 | C3 | H3 | 119.3° | 119.9° |
| C1 | C2 | C3 | O3 | 176.2° | 62.9° |
| C1 | C2 | C7 | H3 | 119.2° | 120.1° |
| C1 | C2 | C7 | C8 | 142.9° | 65.0° |
| C2 | C1 | H1 | H2 | 118.6° | 120.0° |
| C1 | C2 | C3 | H4 | 64.0° | 176.9° |
| C1 | C2 | C7 | H9 | 22.1° | 55.0° |
| C1 | C2 | C7 | H10 | 96.3° | 175.1° |
| C2 | C3 | O3 | H4 | 118.9° | 120.2° |
| C3 | C2 | C7 | H3 | 120.7° | 120.2° |
| C3 | C2 | C7 | C8 | 96.9° | 175.3° |
| C3 | C2 | C1 | H1 | 178.0° | 177.6° |
| C3 | C2 | C1 | H2 | 62.9° | 62.3° |
| C2 | C3 | C4 | H5 | 169.9° | 62.9° |
| C3 | C2 | C7 | H9 | 142.3° | 64.7° |
| C3 | C2 | C7 | H10 | 23.9° | 55.3° |
| C2 | C3 | O3 | H39 | 57.4° | 180.0° |
| O3 | C3 | C2 | C7 | 63.7° | 177.2° |
| O3 | C3 | C2 | H3 | 57.0° | 57.0° |
| O3 | C3 | C4 | H5 | 68.4° | 177.2° |
| C2 | C7 | C8 | H9 | 120.8° | 120.0° |
| C2 | C7 | C8 | H10 | 120.8° | 120.0° |
| C2 | C7 | C8 | C9 | 169.4° | 180.0° |
| C7 | C2 | C1 | H1 | 60.2° | 57.7° |
| C7 | C2 | C1 | H2 | 58.9° | 177.7° |
| C7 | C2 | C3 | H4 | 56.1° | 57.0° |
| C2 | C7 | H9 | H10 | 117.5° | 120.1° |
| C2 | C7 | C8 | H11 | 48.8° | 60.0° |
| C2 | C7 | C8 | H12 | 70.0° | 60.0° |
| N | CA | C | H18 | 119.3° | 120.0° |
| N | CA | C | N3S | 7.5° | 160.0° |
| N | CA | C | O | 173.3° | 19.9° |
| CA | N | H15 | H16 | 120.0° | 123.9° |
| N | CA | CB | H19 | 171.5° | 55.0° |
| N | CA | CB | H20 | 52.6° | 175.0° |
| CA | C | N3S | O | 179.2° | 179.9° |
| CA | C | N3S | S | 179.5° | 180.0° |
| C | CA | N | H15 | 59.5° | 64.0° |
| C | CA | N | H16 | 60.5° | 60.0° |
| C | CA | CB | H19 | 50.9° | 65.0° |
| C | CA | CB | H20 | 68.0° | 54.9° |
| CA | C | N3S | H38 | 0.5° | 0.1° |
| O6 | S | N3S | C | 63.7° | 65.1° |
| O6 | S | N3S | O1S | 113.9° | 113.5° |
| O6 | S | N3S | O2S | 111.4° | 113.6° |
| O6 | S | O1S | O2S | 118.7° | 123.0° |
| S | O6 | C6 | H7 | 72.7° | 60.0° |
| S | O6 | C6 | H8 | 47.3° | 60.0° |
| O6 | S | N3S | H38 | 116.3° | 115.0° |
| C | N3S | S | H38 | 180.0° | 180.0° |
| C | N3S | S | O1S | 177.7° | 178.6° |
| C | N3S | S | O2S | 47.6° | 48.5° |
| N3S | C | CA | H18 | 126.7° | 39.9° |
| O | C | N3S | S | 1.3° | 0.1° |
| O | C | CA | H18 | 54.1° | 140.0° |
| O | C | N3S | H38 | 178.8° | 180.0° |
| N3S | S | O1S | O2S | 129.0° | 122.9° |
| C7 | C8 | C9 | H11 | 120.6° | 120.0° |
| C7 | C8 | C9 | H12 | 120.6° | 120.0° |
| C7 | C8 | C9 | N10 | 63.4° | 180.0° |
| C8 | C7 | C2 | H3 | 23.8° | 55.1° |
| C8 | C7 | H9 | H10 | 117.5° | 120.0° |
| C7 | C8 | H11 | H12 | 118.1° | 120.0° |
| C7 | C8 | C9 | H13 | 57.0° | 60.0° |
| C7 | C8 | C9 | H14 | 176.1° | 60.0° |
| C8 | C9 | N10 | H13 | 120.5° | 120.0° |
| C8 | C9 | N10 | H14 | 120.5° | 120.0° |
| C8 | C9 | N10 | N11 | 83.0° | 55.0° |
| C8 | C9 | N10 | C14 | 97.2° | 124.9° |
| C9 | C8 | C7 | H9 | 69.8° | 60.0° |
| C9 | C8 | C7 | H10 | 48.6° | 60.0° |
| C9 | C8 | H11 | H12 | 118.0° | 120.0° |
| C8 | C9 | H13 | H14 | 118.5° | 120.1° |
| O1S | S | N3S | H38 | 2.3° | 1.5° |
| O2S | S | N3S | H38 | 132.3° | 131.4° |
| C9 | N10 | N11 | C14 | 179.9° | 180.0° |
| C9 | N10 | N11 | N12 | 179.8° | 179.7° |
| C9 | N10 | C14 | C13 | 179.9° | 180.0° |
| N10 | C9 | C8 | H11 | 176.0° | 60.0° |
| N10 | C9 | C8 | H12 | 57.2° | 60.0° |
| N10 | C9 | H13 | H14 | 118.5° | 119.9° |
| C9 | N10 | C14 | H28 | 0.1° | 0.1° |
| N10 | N11 | N12 | C13 | 0.1° | 0.5° |
| N11 | N10 | C14 | C13 | 0.0° | 0.0° |
| N11 | N10 | C9 | H13 | 156.5° | 175.0° |
| N11 | N10 | C9 | H14 | 37.5° | 65.0° |
| N11 | N10 | C14 | H28 | 180.0° | 179.9° |
| N12 | N11 | N10 | C14 | 0.1° | 0.3° |
| N11 | N12 | C13 | C14 | 0.2° | 0.4° |
| N11 | N12 | C13 | C15 | 179.2° | 179.8° |
| N10 | C14 | C13 | N12 | 0.1° | 0.3° |
| N10 | C14 | C13 | H28 | 180.0° | 179.9° |
| N10 | C14 | C13 | C15 | 179.1° | 180.0° |
| C14 | N10 | C9 | H13 | 23.3° | 4.9° |
| C14 | N10 | C9 | H14 | 142.3° | 115.0° |
| N12 | C13 | C14 | C15 | 179.3° | 179.7° |
| N12 | C13 | C15 | C16 | 169.2° | 54.7° |
| N12 | C13 | C14 | H28 | 179.9° | 179.7° |
| N12 | C13 | C15 | H29 | 69.7° | 65.3° |
| N12 | C13 | C15 | H30 | 48.1° | 174.6° |
| C14 | C13 | C15 | C16 | 10.0° | 125.0° |
| C14 | C13 | C15 | H29 | 111.2° | 115.0° |
| C14 | C13 | C15 | H30 | 131.0° | 5.0° |
| C13 | C15 | C16 | H29 | 121.1° | 120.0° |
| C13 | C15 | C16 | H30 | 121.1° | 120.0° |
| C13 | C15 | C16 | C17 | 179.6° | 180.0° |
| C15 | C13 | C14 | H28 | 0.9° | 0.1° |
| C13 | C15 | H29 | H30 | 116.6° | 120.1° |
| C13 | C15 | C16 | H31 | 59.2° | 60.0° |
| C13 | C15 | C16 | H32 | 60.0° | 60.0° |
| C15 | C16 | C17 | H31 | 120.4° | 120.0° |
| C15 | C16 | C17 | H32 | 120.4° | 120.0° |
| C15 | C16 | C17 | C22 | 30.6° | 90.3° |
| C15 | C16 | C17 | C18 | 149.7° | 90.0° |
| C16 | C15 | H29 | H30 | 116.6° | 120.0° |
| C15 | C16 | H31 | H32 | 118.7° | 120.0° |
| C16 | C17 | C22 | C18 | 179.8° | 179.7° |
| C16 | C17 | C22 | C21 | 179.7° | 179.7° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C17 | C16 | C15 | H29 | 59.3° | 60.0° |
| C17 | C16 | C15 | H30 | 58.5° | 60.0° |
| C17 | C16 | H31 | H32 | 118.7° | 120.0° |
| C16 | C17 | C18 | H33 | 0.3° | 0.0° |
| C16 | C17 | C22 | H37 | 0.3° | 0.0° |
| C17 | C22 | C21 | H37 | 180.0° | 179.7° |
| C17 | C22 | C21 | C20 | 0.0° | 0.6° |
| C22 | C17 | C18 | C19 | 0.1° | 0.3° |
| C22 | C17 | C16 | H31 | 89.8° | 149.7° |
| C22 | C17 | C16 | H32 | 151.0° | 29.7° |
| C22 | C17 | C18 | H33 | 179.9° | 179.7° |
| C17 | C22 | C21 | H36 | 180.0° | 179.7° |
| C21 | C22 | C17 | C18 | 0.1° | 0.6° |
| C22 | C21 | C20 | H36 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.0° | 0.3° |
| C22 | C21 | C20 | H35 | 180.0° | 179.8° |
| C17 | C18 | C19 | H33 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C16 | H31 | 89.9° | 30.0° |
| C18 | C17 | C16 | H32 | 29.2° | 150.0° |
| C17 | C18 | C19 | H34 | 179.9° | 180.0° |
| C18 | C17 | C22 | H37 | 179.9° | 179.7° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C21 | C20 | C19 | H35 | 180.0° | 179.9° |
| C21 | C20 | C19 | H34 | 180.0° | 180.0° |
| C20 | C21 | C22 | H37 | 180.0° | 179.7° |
| C18 | C19 | C20 | H34 | 180.0° | 180.0° |
| C18 | C19 | C20 | H35 | 180.0° | 179.9° |
| C20 | C19 | C18 | H33 | 180.0° | 180.0° |
| C19 | C20 | C21 | H36 | 180.0° | 180.0° |
| H1 | C1 | C2 | H3 | 58.8° | 62.4° |
| H2 | C1 | C2 | H3 | 177.9° | 57.6° |
| H3 | C2 | C3 | H4 | 176.7° | 63.2° |
| H3 | C2 | C7 | H9 | 97.1° | 175.1° |
| H3 | C2 | C7 | H10 | 144.5° | 64.9° |
| H4 | C3 | C4 | H5 | 50.9° | 57.0° |
| H4 | C3 | O3 | H39 | 61.5° | 59.8° |
| H5 | C4 | C5 | H6 | 76.5° | 177.7° |
| H5 | C4 | O4 | H40 | 60.6° | 59.8° |
| H6 | C5 | C6 | H7 | 66.9° | 65.0° |
| H6 | C5 | C6 | H8 | 53.1° | 175.0° |
| H9 | C7 | C8 | H11 | 169.6° | 180.0° |
| H9 | C7 | C8 | H12 | 50.8° | 60.0° |
| H10 | C7 | C8 | H11 | 72.0° | 60.0° |
| H10 | C7 | C8 | H12 | 169.2° | 180.0° |
| H11 | C8 | C9 | H13 | 63.6° | 179.9° |
| H11 | C8 | C9 | H14 | 55.5° | 60.0° |
| H12 | C8 | C9 | H13 | 177.7° | 60.0° |
| H12 | C8 | C9 | H14 | 63.3° | 180.0° |
| H15 | N | CA | H18 | 59.3° | 56.1° |
| H16 | N | CA | H18 | 179.3° | 180.0° |
| H18 | CA | CB | H19 | 67.4° | 175.0° |
| H18 | CA | CB | H20 | 173.8° | 65.1° |
| H19 | CB | CG | H21 | 170.4° | 65.0° |
| H20 | CB | CG | H21 | 70.7° | 175.1° |
| H21 | CG | CD1 | H22 | 60.7° | 180.0° |
| H21 | CG | CD1 | H23 | 59.3° | 60.0° |
| H21 | CG | CD1 | H24 | 179.3° | 60.0° |
| H21 | CG | CD2 | H25 | 61.1° | 60.0° |
| H21 | CG | CD2 | H26 | 58.9° | 60.0° |
| H21 | CG | CD2 | H27 | 178.9° | 179.9° |
| H22 | CD1 | H23 | H24 | 120.0° | 119.9° |
| H25 | CD2 | H26 | H27 | 120.0° | 120.0° |
| H29 | C15 | C16 | H31 | 179.7° | 179.9° |
| H29 | C15 | C16 | H32 | 61.1° | 59.9° |
| H30 | C15 | C16 | H31 | 61.9° | 60.0° |
| H30 | C15 | C16 | H32 | 178.9° | 180.0° |
| H33 | C18 | C19 | H34 | 0.1° | 0.0° |
| H34 | C19 | C20 | H35 | 0.0° | 0.1° |
| H35 | C20 | C21 | H36 | 0.0° | 0.1° |
| H36 | C21 | C22 | H37 | 0.0° | 0.0° |
