LAW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C24 | sing | 1.38Å | 1.34Å | |
| N8 | C21 | sing | 1.36Å | 1.39Å | Aromatic |
| N8 | C20 | doub | 1.30Å | 1.31Å | Aromatic |
| C24 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | N10 | sing | 1.33Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| O7 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C18 | C17 | sing | 1.55Å | 1.54Å | |
| N10 | C23 | doub | 1.32Å | 1.34Å | Aromatic |
| O8 | C19 | sing | 1.43Å | 1.42Å | |
| C22 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | N9 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | C17 | sing | 1.47Å | 1.46Å | |
| C19 | C16 | sing | 1.54Å | 1.52Å | |
| C23 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | O6 | sing | 1.44Å | 1.42Å | |
| O6 | C16 | sing | 1.44Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | O5 | sing | 1.43Å | 1.44Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| N6 | C11 | sing | 1.38Å | 1.34Å | |
| C1 | S | sing | 1.81Å | 1.78Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C11 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| O5 | C14 | sing | 1.43Å | 1.43Å | |
| N5 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | N1 | sing | 1.66Å | 1.62Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| N3 | C8 | sing | 1.35Å | 1.40Å | Aromatic |
| N3 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C8 | C9 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.47Å | 1.46Å | |
| C7 | C12 | sing | 1.43Å | 1.42Å | |
| C7 | N2 | sing | 1.37Å | 1.41Å | Aromatic |
| C13 | C12 | trip | 1.17Å | 1.19Å | |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C9 | N4 | sing | 1.33Å | 1.33Å | Aromatic |
| C9 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| O2 | C3 | sing | 1.44Å | 1.44Å | |
| O2 | C4 | sing | 1.44Å | 1.42Å | |
| N2 | C4 | sing | 1.46Å | 1.45Å | |
| C3 | C6 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | O3 | sing | 1.43Å | 1.43Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| N11 | H28 | sing | 0.97Å | 1.00Å | |
| N11 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å | |
| O8 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C24 | C21 | 123.9° | 120.8° |
| N11 | C24 | N10 | 118.6° | 120.8° |
| C24 | N11 | H28 | 109.5° | 120.0° |
| C24 | N11 | H29 | 109.4° | 120.0° |
| C21 | N8 | C20 | 103.7° | 109.4° |
| N8 | C21 | C24 | 132.4° | 134.7° |
| N8 | C21 | C22 | 110.8° | 107.1° |
| N8 | C20 | N7 | 114.1° | 109.9° |
| N8 | C20 | H26 | 123.0° | 125.0° |
| C21 | C24 | N10 | 117.6° | 118.4° |
| C24 | C21 | C22 | 116.8° | 118.2° |
| C24 | N10 | C23 | 118.9° | 121.2° |
| C21 | C22 | N7 | 105.7° | 106.0° |
| C21 | C22 | N9 | 126.9° | 119.1° |
| C20 | N7 | C22 | 105.7° | 107.5° |
| C20 | N7 | C17 | 127.5° | 126.2° |
| N7 | C20 | H26 | 123.0° | 125.1° |
| O7 | C18 | C19 | 112.0° | 110.5° |
| O7 | C18 | C17 | 109.8° | 110.5° |
| O7 | C18 | H24 | 111.6° | 110.6° |
| C18 | O7 | H32 | 109.5° | 114.0° |
| C19 | C18 | C17 | 103.3° | 104.0° |
| C18 | C19 | O8 | 110.4° | 110.5° |
| C18 | C19 | C16 | 102.8° | 104.1° |
| C19 | C18 | H24 | 109.9° | 110.5° |
| C18 | C19 | H25 | 110.0° | 110.5° |
| C18 | C17 | N7 | 113.9° | 110.5° |
| C18 | C17 | O6 | 107.5° | 104.8° |
| C18 | C17 | H23 | 107.8° | 110.3° |
| C17 | C18 | H24 | 109.9° | 110.5° |
| N10 | C23 | N9 | 129.0° | 122.5° |
| N10 | C23 | H27 | 115.5° | 118.8° |
| O8 | C19 | C16 | 111.5° | 110.5° |
| O8 | C19 | H25 | 111.7° | 110.5° |
| C19 | O8 | H33 | 109.5° | 114.0° |
| N7 | C22 | N9 | 127.3° | 134.9° |
| C22 | N7 | C17 | 126.7° | 126.3° |
| C22 | N9 | C23 | 110.9° | 120.6° |
| N7 | C17 | O6 | 109.3° | 110.4° |
| N7 | C17 | H23 | 108.9° | 110.4° |
| C19 | C16 | O6 | 103.5° | 104.9° |
| C19 | C16 | C15 | 117.1° | 110.4° |
| C19 | C16 | H22 | 108.1° | 110.4° |
| C16 | C19 | H25 | 110.2° | 110.5° |
| N9 | C23 | H27 | 115.5° | 118.7° |
| C17 | O6 | C16 | 106.9° | 105.3° |
| O6 | C17 | H23 | 109.4° | 110.3° |
| O6 | C16 | C15 | 110.3° | 110.4° |
| O6 | C16 | H22 | 109.3° | 110.4° |
| C16 | C15 | O5 | 109.8° | 109.5° |
| C16 | C15 | H20 | 109.4° | 109.4° |
| C16 | C15 | H21 | 109.4° | 109.5° |
| C15 | C16 | H22 | 108.3° | 110.3° |
| C15 | O5 | C14 | 112.7° | 114.0° |
| O5 | C15 | H20 | 109.4° | 109.5° |
| O5 | C15 | H21 | 109.4° | 109.5° |
| O | S | C1 | 107.1° | 110.5° |
| O | S | O1 | 119.4° | 121.1° |
| O | S | N1 | 106.8° | 104.3° |
| N6 | C11 | N5 | 118.6° | 120.8° |
| N6 | C11 | C8 | 123.7° | 120.7° |
| C11 | N6 | H30 | 109.5° | 120.0° |
| C11 | N6 | H31 | 109.5° | 120.0° |
| S | C1 | C | 115.5° | 109.5° |
| C1 | S | O1 | 108.3° | 110.5° |
| C1 | S | N1 | 108.4° | 104.4° |
| S | C1 | H2 | 108.0° | 109.5° |
| S | C1 | H3 | 108.0° | 109.5° |
| C1 | C | N | 114.4° | 109.5° |
| C | C1 | H2 | 107.9° | 109.4° |
| C | C1 | H3 | 107.9° | 109.5° |
| C1 | C | H15 | 108.3° | 109.5° |
| C1 | C | H16 | 108.2° | 109.4° |
| N5 | C11 | C8 | 117.7° | 118.5° |
| C11 | N5 | C10 | 118.6° | 121.2° |
| C11 | C8 | N3 | 131.8° | 134.5° |
| C11 | C8 | C9 | 117.1° | 118.1° |
| O5 | C14 | C13 | 111.9° | 109.4° |
| O5 | C14 | H18 | 108.9° | 109.5° |
| O5 | C14 | H19 | 108.9° | 109.4° |
| N5 | C10 | N4 | 128.8° | 122.5° |
| N5 | C10 | H17 | 115.6° | 118.8° |
| O1 | S | N1 | 106.5° | 104.3° |
| S | N1 | C2 | 122.6° | 120.0° |
| S | N1 | H1 | 106.1° | 120.0° |
| C | N | H12 | 109.5° | 111.0° |
| C | N | H13 | 109.5° | 111.0° |
| N | C | H15 | 108.2° | 109.5° |
| N | C | H16 | 108.2° | 109.5° |
| C8 | N3 | C7 | 104.4° | 109.4° |
| N3 | C8 | C9 | 111.1° | 107.4° |
| N3 | C7 | C12 | 123.8° | 125.2° |
| N3 | C7 | N2 | 112.8° | 109.6° |
| C8 | C9 | N4 | 126.7° | 119.1° |
| C8 | C9 | N2 | 105.9° | 106.2° |
| C10 | N4 | C9 | 111.1° | 120.7° |
| N4 | C10 | H17 | 115.6° | 118.7° |
| C14 | C13 | C12 | 176.5° | 180.0° |
| C13 | C14 | H18 | 108.9° | 109.5° |
| C13 | C14 | H19 | 108.9° | 109.5° |
| C12 | C7 | N2 | 123.4° | 125.2° |
| C7 | C12 | C13 | 174.5° | 179.9° |
| C7 | N2 | C9 | 105.8° | 107.3° |
| C7 | N2 | C4 | 129.9° | 126.3° |
| N1 | C2 | C3 | 112.5° | 109.5° |
| C2 | N1 | H1 | 106.1° | 120.0° |
| N1 | C2 | H10 | 108.7° | 109.5° |
| N1 | C2 | H11 | 108.7° | 109.5° |
| C2 | C3 | O2 | 110.8° | 110.0° |
| C2 | C3 | C6 | 117.4° | 109.9° |
| C2 | C3 | H8 | 107.6° | 109.9° |
| C3 | C2 | H10 | 108.7° | 109.5° |
| C3 | C2 | H11 | 108.7° | 109.4° |
| N4 | C9 | N2 | 127.4° | 134.7° |
| C9 | N2 | C4 | 124.2° | 126.4° |
| C3 | O2 | C4 | 109.4° | 107.0° |
| O2 | C3 | C6 | 104.9° | 107.3° |
| O2 | C3 | H8 | 108.5° | 109.8° |
| O2 | C4 | N2 | 109.6° | 110.6° |
| O2 | C4 | C5 | 107.0° | 103.5° |
| O2 | C4 | H6 | 108.3° | 110.7° |
| N2 | C4 | C5 | 116.9° | 110.6° |
| N2 | C4 | H6 | 107.9° | 110.6° |
| C3 | C6 | C5 | 101.9° | 104.2° |
| C3 | C6 | O4 | 108.4° | 110.5° |
| C3 | C6 | H5 | 112.0° | 110.6° |
| C6 | C3 | H8 | 107.3° | 109.8° |
| C4 | C5 | C6 | 99.4° | 102.1° |
| C4 | C5 | O3 | 108.8° | 110.9° |
| C4 | C5 | H4 | 111.1° | 111.0° |
| C5 | C4 | H6 | 107.0° | 110.6° |
| C6 | C5 | O3 | 113.0° | 110.9° |
| C5 | C6 | O4 | 107.8° | 110.5° |
| C6 | C5 | H4 | 111.1° | 110.9° |
| C5 | C6 | H5 | 112.1° | 110.4° |
| O3 | C5 | H4 | 112.7° | 110.8° |
| C5 | O3 | H9 | 109.5° | 114.0° |
| O4 | C6 | H5 | 113.8° | 110.4° |
| C6 | O4 | H7 | 109.5° | 114.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | N | H13 | 109.5° | 111.0° |
| H15 | C | H16 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.4° |
| H28 | N11 | H29 | 109.5° | 120.0° |
| H30 | N6 | H31 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C24 | C21 | N8 | 1.3° | 0.5° |
| N11 | C24 | C21 | N10 | 179.8° | 180.0° |
| N11 | C24 | C21 | C22 | 179.9° | 179.9° |
| N11 | C24 | N10 | C23 | 179.8° | 179.9° |
| C24 | N11 | H28 | H29 | 120.0° | 180.0° |
| N8 | C21 | C24 | C22 | 178.6° | 179.6° |
| N8 | C21 | C24 | N10 | 178.5° | 179.5° |
| C21 | N8 | C20 | N7 | 0.1° | 0.0° |
| N8 | C21 | C22 | N7 | 0.3° | 0.3° |
| N8 | C21 | C22 | N9 | 178.8° | 179.6° |
| C21 | N8 | C20 | H26 | 179.9° | 179.8° |
| C20 | N8 | C21 | C24 | 178.4° | 179.8° |
| C20 | N8 | C21 | C22 | 0.2° | 0.2° |
| N8 | C20 | N7 | H26 | 180.0° | 179.7° |
| N8 | C20 | N7 | C22 | 0.0° | 0.2° |
| N8 | C20 | N7 | C17 | 177.0° | 179.8° |
| C21 | C24 | N10 | C23 | 0.0° | 0.1° |
| C24 | C21 | C22 | N7 | 178.6° | 180.0° |
| C24 | C21 | C22 | N9 | 0.1° | 0.1° |
| C21 | C24 | N11 | H28 | 179.8° | 0.0° |
| C21 | C24 | N11 | H29 | 60.2° | 180.0° |
| N10 | C24 | C21 | C22 | 0.1° | 0.1° |
| C24 | N10 | C23 | N9 | 0.1° | 0.0° |
| C24 | N10 | C23 | H27 | 179.9° | 179.9° |
| N10 | C24 | N11 | H28 | 0.0° | 179.9° |
| N10 | C24 | N11 | H29 | 120.0° | 0.0° |
| C21 | C22 | N7 | C20 | 0.2° | 0.3° |
| C21 | C22 | N7 | N9 | 178.6° | 179.9° |
| C21 | C22 | N7 | C17 | 176.9° | 179.6° |
| C21 | C22 | N9 | C23 | 0.0° | 0.0° |
| C20 | N7 | C17 | C18 | 60.1° | 91.9° |
| C20 | N7 | C22 | C17 | 177.1° | 180.0° |
| C20 | N7 | C22 | N9 | 178.7° | 179.6° |
| C20 | N7 | C17 | O6 | 60.1° | 23.5° |
| C20 | N7 | C17 | H23 | 179.5° | 145.8° |
| O7 | C18 | C19 | C17 | 118.1° | 118.6° |
| O7 | C18 | C19 | H24 | 124.6° | 122.8° |
| O7 | C18 | C17 | H24 | 123.1° | 122.7° |
| O7 | C18 | C19 | O8 | 21.6° | 0.0° |
| O7 | C18 | C17 | N7 | 116.5° | 98.5° |
| O7 | C18 | C19 | C16 | 97.5° | 118.6° |
| O7 | C18 | C17 | O6 | 122.3° | 142.6° |
| O7 | C18 | C17 | H23 | 4.5° | 23.8° |
| O7 | C18 | C19 | H25 | 145.2° | 122.7° |
| C19 | C18 | C17 | H24 | 117.3° | 118.6° |
| C18 | C19 | O8 | C16 | 113.6° | 114.7° |
| C18 | C19 | O8 | H25 | 122.6° | 122.6° |
| C19 | C18 | C17 | N7 | 123.9° | 142.9° |
| C18 | C19 | C16 | H25 | 117.2° | 118.6° |
| C19 | C18 | C17 | O6 | 2.7° | 23.9° |
| C18 | C19 | C16 | O6 | 37.0° | 23.9° |
| C18 | C19 | C16 | C15 | 158.6° | 142.8° |
| C18 | C19 | C16 | H22 | 78.8° | 95.0° |
| C19 | C18 | C17 | H23 | 115.2° | 94.8° |
| C19 | C18 | O7 | H32 | 180.0° | 61.5° |
| C18 | C19 | O8 | H33 | 180.0° | 61.4° |
| C17 | C18 | C19 | O8 | 139.7° | 118.6° |
| C18 | C17 | N7 | C22 | 116.4° | 88.1° |
| C18 | C17 | N7 | O6 | 120.2° | 115.4° |
| C18 | C17 | N7 | H23 | 120.3° | 122.3° |
| C17 | C18 | C19 | C16 | 20.6° | 0.0° |
| C18 | C17 | O6 | H23 | 116.9° | 118.7° |
| C18 | C17 | O6 | C16 | 26.9° | 40.4° |
| C17 | C18 | C19 | H25 | 96.7° | 118.7° |
| C17 | C18 | O7 | H32 | 65.8° | 176.1° |
| N10 | C23 | N9 | C22 | 0.1° | 0.0° |
| N10 | C23 | N9 | H27 | 180.0° | 179.9° |
| O8 | C19 | C16 | H25 | 124.6° | 122.7° |
| O8 | C19 | C16 | O6 | 155.3° | 142.6° |
| O8 | C19 | C16 | C15 | 83.1° | 98.5° |
| O8 | C19 | C16 | H22 | 39.4° | 23.6° |
| O8 | C19 | C18 | H24 | 103.1° | 122.7° |
| N7 | C22 | N9 | C23 | 178.3° | 179.9° |
| C22 | N7 | C17 | O6 | 123.4° | 156.4° |
| C22 | N7 | C17 | H23 | 3.9° | 34.2° |
| C22 | N7 | C20 | H26 | 180.0° | 180.0° |
| N9 | C22 | N7 | C17 | 1.6° | 0.5° |
| C22 | N9 | C23 | H27 | 179.9° | 179.9° |
| N7 | C17 | O6 | H23 | 119.1° | 122.3° |
| N7 | C17 | O6 | C16 | 150.9° | 159.4° |
| N7 | C17 | C18 | H24 | 6.6° | 24.2° |
| C17 | N7 | C20 | H26 | 2.9° | 0.0° |
| C19 | C16 | O6 | C17 | 40.3° | 40.4° |
| C19 | C16 | O6 | C15 | 126.0° | 118.9° |
| C19 | C16 | O6 | H22 | 115.0° | 118.9° |
| C19 | C16 | C15 | H22 | 122.5° | 122.2° |
| C19 | C16 | C15 | O5 | 177.8° | 176.5° |
| C19 | C16 | C15 | H20 | 57.8° | 63.5° |
| C19 | C16 | C15 | H21 | 62.1° | 56.5° |
| C16 | C19 | C18 | H24 | 137.9° | 118.6° |
| C16 | C19 | O8 | H33 | 66.4° | 176.1° |
| C17 | O6 | C16 | C15 | 166.3° | 159.4° |
| C17 | O6 | C16 | H22 | 74.7° | 78.5° |
| O6 | C17 | C18 | H24 | 114.6° | 94.7° |
| O6 | C16 | C15 | H22 | 119.5° | 122.3° |
| O6 | C16 | C15 | O5 | 64.2° | 67.9° |
| O6 | C16 | C15 | H20 | 175.7° | 52.0° |
| O6 | C16 | C15 | H21 | 55.9° | 172.0° |
| C16 | O6 | C17 | H23 | 90.0° | 78.3° |
| O6 | C16 | C19 | H25 | 80.2° | 94.7° |
| C16 | C15 | O5 | H20 | 120.0° | 119.9° |
| C16 | C15 | O5 | H21 | 120.0° | 120.1° |
| C16 | C15 | O5 | C14 | 92.4° | 180.0° |
| C16 | C15 | H20 | H21 | 119.8° | 120.0° |
| C15 | C16 | C19 | H25 | 41.4° | 24.2° |
| C15 | O5 | C14 | C13 | 90.5° | 180.0° |
| C15 | O5 | C14 | H18 | 29.9° | 59.9° |
| C15 | O5 | C14 | H19 | 149.2° | 60.0° |
| O5 | C15 | H20 | H21 | 119.9° | 120.0° |
| O5 | C15 | C16 | H22 | 55.3° | 54.3° |
| O | S | C1 | O1 | 130.0° | 136.8° |
| O | S | C1 | N1 | 114.9° | 111.6° |
| O | S | C1 | C | 166.4° | 68.4° |
| O | S | O1 | N1 | 120.9° | 116.8° |
| O | S | N1 | C2 | 41.7° | 179.2° |
| O | S | N1 | H1 | 163.6° | 1.0° |
| O | S | C1 | H2 | 72.7° | 51.6° |
| O | S | C1 | H3 | 45.6° | 171.6° |
| N6 | C11 | N5 | C8 | 179.5° | 179.9° |
| N6 | C11 | N5 | C10 | 180.0° | 180.0° |
| N6 | C11 | C8 | N3 | 1.7° | 0.1° |
| N6 | C11 | C8 | C9 | 178.9° | 180.0° |
| C11 | N6 | H30 | H31 | 120.0° | 179.9° |
| S | C1 | C | H2 | 120.9° | 120.0° |
| S | C1 | C | H3 | 120.9° | 120.0° |
| C1 | S | O1 | N1 | 116.3° | 111.7° |
| S | C1 | C | N | 85.4° | 180.0° |
| C1 | S | N1 | C2 | 73.4° | 64.7° |
| C1 | S | N1 | H1 | 48.5° | 115.0° |
| S | C1 | H2 | H3 | 117.3° | 120.0° |
| S | C1 | C | H15 | 153.9° | 60.0° |
| S | C1 | C | H16 | 35.4° | 60.0° |
| C | C1 | S | O1 | 36.5° | 68.4° |
| C | C1 | S | N1 | 78.7° | 180.0° |
| C1 | C | N | H15 | 120.8° | 120.0° |
| C1 | C | N | H16 | 120.7° | 120.0° |
| C | C1 | H2 | H3 | 117.2° | 120.0° |
| C1 | C | N | H12 | 180.0° | 56.1° |
| C1 | C | N | H13 | 60.0° | 180.0° |
| C1 | C | H15 | H16 | 117.7° | 120.0° |
| N5 | C11 | C8 | N3 | 177.8° | 180.0° |
| N5 | C11 | C8 | C9 | 0.6° | 0.1° |
| C11 | N5 | C10 | N4 | 0.9° | 0.0° |
| C11 | N5 | C10 | H17 | 179.1° | 180.0° |
| N5 | C11 | N6 | H30 | 0.0° | 0.1° |
| N5 | C11 | N6 | H31 | 120.0° | 180.0° |
| C8 | C11 | N5 | C10 | 0.4° | 0.0° |
| C11 | C8 | N3 | C9 | 177.3° | 180.0° |
| C11 | C8 | N3 | C7 | 176.1° | 179.6° |
| C11 | C8 | C9 | N4 | 1.6° | 0.0° |
| C11 | C8 | C9 | N2 | 176.8° | 179.7° |
| C8 | C11 | N6 | H30 | 179.5° | 180.0° |
| C8 | C11 | N6 | H31 | 59.5° | 0.1° |
| O5 | C14 | C13 | H18 | 120.3° | 120.0° |
| O5 | C14 | C13 | H19 | 120.4° | 119.9° |
| O5 | C14 | C13 | C12 | 26.8° | 109.7° |
| O5 | C14 | H18 | H19 | 118.9° | 120.0° |
| C14 | O5 | C15 | H20 | 27.6° | 60.0° |
| C14 | O5 | C15 | H21 | 147.6° | 60.0° |
| N5 | C10 | N4 | H17 | 180.0° | 180.0° |
| N5 | C10 | N4 | C9 | 0.1° | 0.1° |
| O1 | S | N1 | C2 | 170.4° | 51.3° |
| O1 | S | N1 | H1 | 67.8° | 128.9° |
| O1 | S | C1 | H2 | 157.3° | 171.6° |
| O1 | S | C1 | H3 | 84.4° | 51.6° |
| S | N1 | C2 | H1 | 121.8° | 179.7° |
| S | N1 | C2 | C3 | 126.0° | 165.3° |
| N1 | S | C1 | H2 | 42.2° | 60.0° |
| N1 | S | C1 | H3 | 160.4° | 60.0° |
| S | N1 | C2 | H10 | 5.6° | 74.7° |
| S | N1 | C2 | H11 | 113.5° | 45.3° |
| N | C | C1 | H2 | 35.5° | 60.0° |
| N | C | C1 | H3 | 153.7° | 60.0° |
| C | N | H12 | H13 | 120.0° | 123.9° |
| N | C | H15 | H16 | 117.7° | 120.1° |
| C8 | N3 | C7 | C12 | 176.2° | 179.9° |
| C8 | N3 | C7 | N2 | 1.0° | 0.5° |
| N3 | C8 | C9 | N4 | 179.3° | 180.0° |
| N3 | C8 | C9 | N2 | 0.9° | 0.3° |
| C7 | N3 | C8 | C9 | 1.2° | 0.5° |
| N3 | C7 | C12 | N2 | 176.9° | 179.6° |
| N3 | C7 | C12 | C13 | 19.9° | 113.5° |
| N3 | C7 | N2 | C9 | 0.4° | 0.3° |
| N3 | C7 | N2 | C4 | 177.0° | 179.7° |
| C8 | C9 | N4 | C10 | 1.2° | 0.0° |
| C8 | C9 | N2 | C7 | 0.3° | 0.0° |
| C8 | C9 | N4 | N2 | 178.0° | 179.6° |
| C8 | C9 | N2 | C4 | 176.5° | 180.0° |
| C10 | N4 | C9 | N2 | 176.8° | 179.6° |
| C14 | C13 | C12 | C7 | 65.6° | 137.2° |
| C13 | C14 | H18 | H19 | 118.9° | 120.0° |
| C12 | C7 | N2 | C9 | 176.8° | 179.9° |
| C12 | C7 | N2 | C4 | 0.2° | 0.0° |
| N2 | C7 | C12 | C13 | 157.1° | 66.9° |
| C7 | N2 | C9 | N4 | 178.7° | 179.7° |
| C7 | N2 | C9 | C4 | 176.8° | 180.0° |
| C7 | N2 | C4 | O2 | 73.5° | 39.1° |
| C7 | N2 | C4 | C5 | 48.4° | 75.0° |
| C7 | N2 | C4 | H6 | 168.8° | 162.2° |
| C12 | C13 | C14 | H18 | 93.5° | 130.3° |
| C12 | C13 | C14 | H19 | 147.2° | 10.3° |
| N1 | C2 | C3 | H10 | 120.4° | 120.0° |
| N1 | C2 | C3 | H11 | 120.5° | 120.0° |
| N1 | C2 | C3 | O2 | 161.6° | 67.1° |
| N1 | C2 | C3 | C6 | 77.9° | 175.0° |
| N1 | C2 | C3 | H8 | 43.1° | 54.0° |
| N1 | C2 | H10 | H11 | 118.6° | 120.0° |
| C2 | C3 | O2 | C6 | 127.7° | 119.5° |
| C2 | C3 | O2 | H8 | 117.9° | 121.1° |
| C2 | C3 | O2 | C4 | 116.4° | 146.0° |
| C2 | C3 | C6 | H8 | 121.1° | 121.0° |
| C2 | C3 | C6 | C5 | 90.5° | 121.6° |
| C2 | C3 | C6 | O4 | 156.0° | 119.7° |
| C3 | C2 | N1 | H1 | 112.2° | 15.0° |
| C2 | C3 | C6 | H5 | 29.5° | 2.9° |
| C3 | C2 | H10 | H11 | 118.6° | 120.0° |
| N4 | C9 | N2 | C4 | 1.8° | 0.3° |
| C9 | N4 | C10 | H17 | 179.9° | 180.0° |
| C9 | N2 | C4 | O2 | 102.6° | 140.9° |
| C9 | N2 | C4 | C5 | 135.5° | 105.0° |
| C9 | N2 | C4 | H6 | 15.1° | 17.8° |
| C3 | O2 | C4 | N2 | 143.0° | 158.5° |
| O2 | C3 | C6 | H8 | 115.3° | 119.4° |
| C3 | O2 | C4 | C5 | 15.4° | 40.0° |
| O2 | C3 | C6 | C5 | 33.1° | 2.0° |
| O2 | C3 | C6 | O4 | 80.4° | 120.7° |
| O2 | C3 | C6 | H5 | 153.1° | 116.7° |
| C3 | O2 | C4 | H6 | 99.6° | 78.5° |
| O2 | C3 | C2 | H10 | 41.2° | 52.9° |
| O2 | C3 | C2 | H11 | 77.9° | 172.9° |
| O2 | C4 | N2 | C5 | 121.9° | 114.1° |
| O2 | C4 | N2 | H6 | 117.7° | 123.1° |
| C4 | O2 | C3 | C6 | 11.3° | 26.5° |
| O2 | C4 | C5 | H6 | 115.9° | 118.6° |
| O2 | C4 | C5 | C6 | 35.2° | 37.0° |
| O2 | C4 | C5 | O3 | 153.5° | 155.2° |
| O2 | C4 | C5 | H4 | 81.9° | 81.2° |
| C4 | O2 | C3 | H8 | 125.7° | 92.9° |
| N2 | C4 | C5 | H6 | 120.9° | 122.8° |
| N2 | C4 | C5 | C6 | 158.4° | 155.6° |
| N2 | C4 | C5 | O3 | 83.3° | 86.3° |
| N2 | C4 | C5 | H4 | 41.3° | 37.3° |
| C3 | C6 | C5 | C4 | 40.3° | 20.9° |
| C3 | C6 | C5 | O4 | 114.0° | 118.7° |
| C3 | C6 | C5 | H5 | 120.0° | 118.8° |
| C3 | C6 | C5 | O3 | 155.5° | 139.1° |
| C3 | C6 | O4 | H5 | 125.4° | 122.7° |
| C3 | C6 | C5 | H4 | 76.8° | 97.3° |
| C3 | C6 | O4 | H7 | 180.0° | 176.3° |
| C6 | C3 | C2 | H10 | 161.7° | 65.0° |
| C6 | C3 | C2 | H11 | 42.6° | 55.0° |
| C4 | C5 | C6 | O3 | 115.2° | 118.2° |
| C4 | C5 | C6 | H4 | 117.1° | 118.3° |
| C4 | C5 | O3 | H4 | 123.7° | 123.7° |
| C4 | C5 | C6 | O4 | 73.7° | 97.8° |
| C4 | C5 | C6 | H5 | 160.3° | 139.7° |
| C4 | C5 | O3 | H9 | 180.0° | 174.2° |
| C6 | C5 | O3 | H4 | 126.9° | 123.6° |
| C5 | C6 | O4 | H5 | 125.0° | 122.5° |
| C6 | C5 | C4 | H6 | 80.7° | 81.6° |
| C5 | C6 | O4 | H7 | 70.4° | 61.5° |
| C5 | C6 | C3 | H8 | 148.4° | 117.4° |
| C6 | C5 | O3 | H9 | 70.7° | 61.5° |
| O3 | C5 | C6 | O4 | 41.5° | 20.4° |
| O3 | C5 | C6 | H5 | 84.6° | 102.1° |
| O3 | C5 | C4 | H6 | 37.6° | 36.6° |
| O4 | C6 | C5 | H4 | 169.2° | 143.9° |
| O4 | C6 | C3 | H8 | 34.8° | 1.3° |
| H1 | N1 | C2 | H10 | 127.4° | 105.0° |
| H1 | N1 | C2 | H11 | 8.3° | 135.0° |
| H2 | C1 | C | H15 | 85.2° | 60.0° |
| H2 | C1 | C | H16 | 156.2° | 180.0° |
| H3 | C1 | C | H15 | 33.0° | 180.0° |
| H3 | C1 | C | H16 | 85.5° | 60.0° |
| H4 | C5 | C6 | H5 | 43.2° | 21.4° |
| H4 | C5 | C4 | H6 | 162.2° | 160.1° |
| H4 | C5 | O3 | H9 | 56.3° | 62.1° |
| H5 | C6 | O4 | H7 | 54.6° | 61.0° |
| H5 | C6 | C3 | H8 | 91.6° | 123.9° |
| H8 | C3 | C2 | H10 | 77.3° | 174.0° |
| H8 | C3 | C2 | H11 | 163.6° | 66.0° |
| H12 | N | C | H15 | 59.3° | 63.9° |
| H12 | N | C | H16 | 59.2° | 176.0° |
| H13 | N | C | H15 | 179.3° | 60.0° |
| H13 | N | C | H16 | 60.8° | 60.0° |
| H20 | C15 | C16 | H22 | 64.7° | 174.3° |
| H21 | C15 | C16 | H22 | 175.4° | 65.7° |
| H22 | C16 | C19 | H25 | 164.0° | 146.3° |
| H23 | C17 | C18 | H24 | 127.5° | 146.6° |
| H24 | C18 | C19 | H25 | 20.5° | 0.1° |
| H24 | C18 | O7 | H32 | 56.3° | 61.3° |
| H25 | C19 | O8 | H33 | 57.3° | 61.2° |
