KIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C16 | sing | 1.38Å | 1.34Å | |
| N5 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| N5 | C14 | doub | 1.30Å | 1.32Å | Aromatic |
| C16 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C16 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | C18 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | N4 | sing | 1.36Å | 1.36Å | Aromatic |
| O6 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.54Å | 1.54Å | |
| C19 | C13 | sing | 1.54Å | 1.54Å | |
| N7 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| O7 | C20 | sing | 1.43Å | 1.42Å | |
| N4 | C18 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | C13 | sing | 1.46Å | 1.47Å | |
| C18 | N8 | doub | 1.33Å | 1.33Å | Aromatic |
| C20 | C12 | sing | 1.55Å | 1.53Å | |
| C17 | N8 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | O5 | sing | 1.44Å | 1.42Å | |
| O5 | C12 | sing | 1.44Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C11 | N3 | sing | 1.47Å | 1.48Å | |
| N10 | C22 | sing | 1.38Å | 1.34Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| C22 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | S | sing | 1.81Å | 1.78Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| N3 | C8 | sing | 1.47Å | 1.46Å | |
| N11 | C23 | sing | 1.32Å | 1.34Å | Aromatic |
| N9 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
| N9 | C5 | doub | 1.31Å | 1.32Å | Aromatic |
| C21 | C24 | doub | 1.41Å | 1.39Å | Aromatic |
| O4 | C10 | doub | 1.21Å | 1.31Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| S | N1 | sing | 1.66Å | 1.66Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C23 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.43Å | |
| C5 | N2 | sing | 1.37Å | 1.39Å | Aromatic |
| C6 | C7 | trip | 1.17Å | 1.20Å | |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C10 | O3 | sing | 1.34Å | 1.22Å | |
| C24 | N12 | sing | 1.33Å | 1.33Å | Aromatic |
| C24 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| O2 | C3 | sing | 1.44Å | 1.45Å | |
| O2 | C4 | sing | 1.44Å | 1.42Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N2 | C4 | sing | 1.46Å | 1.46Å | |
| C3 | C26 | sing | 1.54Å | 1.53Å | |
| C4 | C25 | sing | 1.55Å | 1.53Å | |
| C25 | C26 | sing | 1.55Å | 1.53Å | |
| C25 | O8 | sing | 1.43Å | 1.42Å | |
| C26 | O9 | sing | 1.43Å | 1.42Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| N10 | H30 | sing | 0.97Å | 1.00Å | |
| N10 | H31 | sing | 0.97Å | 1.00Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| O6 | H34 | sing | 0.97Å | 0.95Å | |
| O7 | H35 | sing | 0.97Å | 0.95Å | |
| O8 | H36 | sing | 0.97Å | 0.95Å | |
| O9 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C16 | C15 | 123.8° | 120.7° |
| N6 | C16 | N7 | 118.5° | 120.8° |
| C16 | N6 | H32 | 109.5° | 120.0° |
| C16 | N6 | H33 | 109.5° | 120.0° |
| C15 | N5 | C14 | 103.4° | 109.4° |
| N5 | C15 | C16 | 132.3° | 134.7° |
| N5 | C15 | C18 | 111.3° | 107.1° |
| N5 | C14 | N4 | 113.9° | 110.0° |
| N5 | C14 | H23 | 123.1° | 125.0° |
| C15 | C16 | N7 | 117.7° | 118.5° |
| C16 | C15 | C18 | 116.4° | 118.1° |
| C16 | N7 | C17 | 118.9° | 121.2° |
| C15 | C18 | N4 | 105.0° | 106.0° |
| C15 | C18 | N8 | 127.1° | 119.1° |
| C14 | N4 | C18 | 106.4° | 107.4° |
| C14 | N4 | C13 | 127.2° | 126.3° |
| N4 | C14 | H23 | 123.0° | 125.0° |
| O6 | C19 | C20 | 111.2° | 110.5° |
| O6 | C19 | C13 | 110.3° | 110.5° |
| O6 | C19 | H25 | 111.6° | 110.5° |
| C19 | O6 | H34 | 109.5° | 114.0° |
| C20 | C19 | C13 | 103.6° | 104.1° |
| C19 | C20 | O7 | 110.6° | 110.6° |
| C19 | C20 | C12 | 102.6° | 104.0° |
| C20 | C19 | H25 | 109.9° | 110.6° |
| C19 | C20 | H26 | 110.0° | 110.5° |
| C19 | C13 | N4 | 114.1° | 110.4° |
| C19 | C13 | O5 | 107.4° | 104.7° |
| C19 | C13 | H22 | 107.9° | 110.5° |
| C13 | C19 | H25 | 109.9° | 110.5° |
| N7 | C17 | N8 | 128.9° | 122.4° |
| N7 | C17 | H24 | 115.5° | 118.8° |
| O7 | C20 | C12 | 111.5° | 110.5° |
| O7 | C20 | H26 | 111.7° | 110.6° |
| C20 | O7 | H35 | 109.5° | 114.0° |
| C18 | N4 | C13 | 126.3° | 126.3° |
| N4 | C18 | N8 | 127.9° | 134.9° |
| N4 | C13 | O5 | 109.1° | 110.4° |
| N4 | C13 | H22 | 108.8° | 110.4° |
| C18 | N8 | C17 | 111.0° | 120.6° |
| C20 | C12 | O5 | 103.6° | 104.8° |
| C20 | C12 | C11 | 117.5° | 110.4° |
| C20 | C12 | H21 | 108.2° | 110.5° |
| C12 | C20 | H26 | 110.1° | 110.5° |
| N8 | C17 | H24 | 115.6° | 118.8° |
| C13 | O5 | C12 | 106.8° | 105.3° |
| O5 | C13 | H22 | 109.4° | 110.3° |
| O5 | C12 | C11 | 109.8° | 110.4° |
| O5 | C12 | H21 | 109.3° | 110.4° |
| C12 | C11 | N3 | 112.2° | 109.5° |
| C12 | C11 | H19 | 108.8° | 109.5° |
| C12 | C11 | H20 | 108.8° | 109.5° |
| C11 | C12 | H21 | 108.3° | 110.3° |
| N | C | C1 | 106.8° | 109.5° |
| C | N | H14 | 109.5° | 111.0° |
| C | N | H15 | 109.5° | 111.0° |
| N | C | H17 | 110.2° | 109.5° |
| N | C | H18 | 110.1° | 109.4° |
| C11 | N3 | C9 | 114.8° | 111.0° |
| C11 | N3 | C8 | 116.5° | 111.0° |
| N3 | C11 | H19 | 108.8° | 109.5° |
| N3 | C11 | H20 | 108.8° | 109.5° |
| N10 | C22 | N11 | 118.3° | 120.7° |
| N10 | C22 | C21 | 124.1° | 120.8° |
| C22 | N10 | H30 | 109.5° | 120.1° |
| C22 | N10 | H31 | 109.5° | 119.9° |
| C | C1 | S | 114.0° | 109.5° |
| C | C1 | H6 | 108.3° | 109.4° |
| C | C1 | H7 | 108.3° | 109.5° |
| C1 | C | H17 | 110.1° | 109.5° |
| C1 | C | H18 | 110.1° | 109.5° |
| O1 | S | C1 | 107.6° | 110.5° |
| O1 | S | O | 119.4° | 121.0° |
| O1 | S | N1 | 106.9° | 104.3° |
| N11 | C22 | C21 | 117.6° | 118.5° |
| C22 | N11 | C23 | 118.8° | 121.2° |
| C22 | C21 | N9 | 132.0° | 134.5° |
| C22 | C21 | C24 | 116.6° | 118.1° |
| C1 | S | O | 108.0° | 110.6° |
| C1 | S | N1 | 107.7° | 104.4° |
| S | C1 | H6 | 108.3° | 109.5° |
| S | C1 | H7 | 108.3° | 109.5° |
| C9 | N3 | C8 | 111.7° | 111.0° |
| N3 | C9 | C10 | 117.6° | 109.5° |
| N3 | C9 | H4 | 107.4° | 109.5° |
| N3 | C9 | H5 | 107.4° | 109.5° |
| N3 | C8 | C7 | 114.4° | 109.5° |
| N3 | C8 | H2 | 108.2° | 109.5° |
| N3 | C8 | H3 | 108.2° | 109.5° |
| N11 | C23 | N12 | 128.9° | 122.5° |
| N11 | C23 | H27 | 115.6° | 118.7° |
| C21 | N9 | C5 | 103.6° | 109.5° |
| N9 | C21 | C24 | 111.3° | 107.4° |
| N9 | C5 | C6 | 124.7° | 125.3° |
| N9 | C5 | N2 | 113.3° | 109.6° |
| C21 | C24 | N12 | 127.1° | 119.0° |
| C21 | C24 | N2 | 105.6° | 106.2° |
| O4 | C10 | C9 | 114.9° | 120.0° |
| O4 | C10 | O3 | 123.1° | 120.0° |
| O | S | N1 | 106.7° | 104.3° |
| S | N1 | C2 | 122.3° | 120.0° |
| S | N1 | H1 | 106.2° | 120.0° |
| C9 | C10 | O3 | 122.0° | 120.0° |
| C10 | C9 | H4 | 107.4° | 109.5° |
| C10 | C9 | H5 | 107.4° | 109.4° |
| C23 | N12 | C24 | 111.0° | 120.7° |
| N12 | C23 | H27 | 115.5° | 118.8° |
| C6 | C5 | N2 | 121.9° | 125.2° |
| C5 | C6 | C7 | 171.8° | 179.9° |
| C5 | N2 | C24 | 106.1° | 107.3° |
| C5 | N2 | C4 | 129.2° | 126.3° |
| C6 | C7 | C8 | 175.0° | 180.0° |
| C7 | C8 | H2 | 108.3° | 109.4° |
| C7 | C8 | H3 | 108.2° | 109.4° |
| C10 | O3 | H11 | 109.5° | 117.0° |
| N12 | C24 | N2 | 127.3° | 134.7° |
| C24 | N2 | C4 | 124.7° | 126.3° |
| C3 | O2 | C4 | 109.8° | 107.0° |
| O2 | C3 | C2 | 106.0° | 110.0° |
| O2 | C3 | C26 | 105.6° | 107.3° |
| O2 | C3 | H10 | 110.2° | 109.9° |
| O2 | C4 | N2 | 109.9° | 110.6° |
| O2 | C4 | C25 | 106.9° | 103.5° |
| O2 | C4 | H9 | 108.3° | 110.7° |
| N1 | C2 | C3 | 113.0° | 109.5° |
| C2 | N1 | H1 | 106.1° | 119.9° |
| N1 | C2 | H12 | 108.6° | 109.5° |
| N1 | C2 | H13 | 108.6° | 109.5° |
| C2 | C3 | C26 | 116.4° | 109.9° |
| C2 | C3 | H10 | 109.3° | 109.8° |
| C3 | C2 | H12 | 108.6° | 109.5° |
| C3 | C2 | H13 | 108.6° | 109.5° |
| N2 | C4 | C25 | 116.8° | 110.6° |
| N2 | C4 | H9 | 107.7° | 110.6° |
| C3 | C26 | C25 | 102.3° | 104.2° |
| C3 | C26 | O9 | 109.6° | 110.5° |
| C26 | C3 | H10 | 109.2° | 109.9° |
| C3 | C26 | H29 | 110.7° | 110.5° |
| C4 | C25 | C26 | 100.5° | 102.1° |
| C4 | C25 | O8 | 108.6° | 111.0° |
| C25 | C4 | H9 | 107.0° | 110.6° |
| C4 | C25 | H28 | 110.7° | 110.9° |
| C26 | C25 | O8 | 113.6° | 110.9° |
| C25 | C26 | O9 | 111.0° | 110.5° |
| C26 | C25 | H28 | 110.6° | 110.9° |
| C25 | C26 | H29 | 110.6° | 110.5° |
| O8 | C25 | H28 | 112.3° | 110.8° |
| C25 | O8 | H36 | 109.5° | 114.1° |
| O9 | C26 | H29 | 112.2° | 110.5° |
| C26 | O9 | H37 | 109.5° | 114.0° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.4° |
| H14 | N | H15 | 109.4° | 111.0° |
| H17 | C | H18 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.4° | 109.4° |
| H30 | N10 | H31 | 109.5° | 120.0° |
| H32 | N6 | H33 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C16 | C15 | N5 | 0.1° | 0.5° |
| N6 | C16 | C15 | N7 | 178.4° | 180.0° |
| N6 | C16 | C15 | C18 | 177.8° | 180.0° |
| N6 | C16 | N7 | C17 | 178.3° | 180.0° |
| C16 | N6 | H32 | H33 | 120.0° | 180.0° |
| N5 | C15 | C16 | C18 | 177.9° | 179.5° |
| N5 | C15 | C16 | N7 | 178.5° | 179.5° |
| C15 | N5 | C14 | N4 | 0.1° | 0.3° |
| N5 | C15 | C18 | N4 | 0.7° | 0.4° |
| N5 | C15 | C18 | N8 | 179.0° | 179.6° |
| C15 | N5 | C14 | H23 | 179.9° | 179.7° |
| C14 | N5 | C15 | C16 | 177.5° | 179.9° |
| C14 | N5 | C15 | C18 | 0.6° | 0.4° |
| N5 | C14 | N4 | H23 | 180.0° | 180.0° |
| N5 | C14 | N4 | C18 | 0.3° | 0.0° |
| N5 | C14 | N4 | C13 | 177.0° | 179.8° |
| C15 | C16 | N7 | C17 | 0.2° | 0.0° |
| C16 | C15 | C18 | N4 | 177.6° | 180.0° |
| C16 | C15 | C18 | N8 | 0.7° | 0.1° |
| C15 | C16 | N6 | H32 | 178.3° | 0.0° |
| C15 | C16 | N6 | H33 | 61.6° | 180.0° |
| N7 | C16 | C15 | C18 | 0.5° | 0.0° |
| C16 | N7 | C17 | N8 | 0.1° | 0.0° |
| C16 | N7 | C17 | H24 | 179.8° | 180.0° |
| N7 | C16 | N6 | H32 | 0.0° | 180.0° |
| N7 | C16 | N6 | H33 | 120.0° | 0.0° |
| C15 | C18 | N4 | C14 | 0.6° | 0.2° |
| C15 | C18 | N4 | N8 | 178.3° | 179.9° |
| C15 | C18 | N4 | C13 | 176.7° | 180.0° |
| C15 | C18 | N8 | C17 | 0.4° | 0.1° |
| C14 | N4 | C13 | C19 | 60.4° | 91.5° |
| C14 | N4 | C18 | C13 | 177.3° | 179.8° |
| C14 | N4 | C18 | N8 | 178.9° | 179.7° |
| C14 | N4 | C13 | O5 | 59.8° | 23.8° |
| C14 | N4 | C13 | H22 | 179.1° | 146.1° |
| O6 | C19 | C20 | C13 | 118.5° | 118.6° |
| O6 | C19 | C20 | H25 | 124.1° | 122.7° |
| O6 | C19 | C13 | H25 | 123.5° | 122.6° |
| O6 | C19 | C20 | O7 | 21.1° | 0.0° |
| O6 | C19 | C13 | N4 | 117.1° | 98.6° |
| O6 | C19 | C20 | C12 | 98.0° | 118.7° |
| O6 | C19 | C13 | O5 | 121.8° | 142.6° |
| O6 | C19 | C13 | H22 | 4.0° | 23.8° |
| O6 | C19 | C20 | H26 | 144.8° | 122.7° |
| C20 | C19 | C13 | H25 | 117.4° | 118.7° |
| C19 | C20 | O7 | C12 | 113.5° | 114.6° |
| C19 | C20 | O7 | H26 | 122.8° | 122.7° |
| C20 | C19 | C13 | N4 | 123.8° | 142.8° |
| C19 | C20 | C12 | H26 | 117.0° | 118.6° |
| C20 | C19 | C13 | O5 | 2.7° | 24.0° |
| C19 | C20 | C12 | O5 | 36.9° | 24.0° |
| C19 | C20 | C12 | C11 | 158.2° | 142.8° |
| C19 | C20 | C12 | H21 | 79.0° | 95.0° |
| C20 | C19 | C13 | H22 | 115.2° | 94.8° |
| C20 | C19 | O6 | H34 | 180.0° | 61.4° |
| C19 | C20 | O7 | H35 | 180.0° | 61.4° |
| C13 | C19 | C20 | O7 | 139.6° | 118.6° |
| C19 | C13 | N4 | C18 | 116.4° | 88.2° |
| C19 | C13 | N4 | O5 | 120.2° | 115.3° |
| C19 | C13 | N4 | H22 | 120.5° | 122.4° |
| C13 | C19 | C20 | C12 | 20.6° | 0.0° |
| C19 | C13 | O5 | H22 | 116.8° | 118.9° |
| C19 | C13 | O5 | C12 | 26.8° | 40.5° |
| C13 | C19 | C20 | H26 | 96.6° | 118.6° |
| C13 | C19 | O6 | H34 | 65.6° | 176.1° |
| N7 | C17 | N8 | C18 | 0.0° | 0.1° |
| N7 | C17 | N8 | H24 | 180.0° | 180.0° |
| O7 | C20 | C12 | H26 | 124.6° | 122.7° |
| O7 | C20 | C12 | O5 | 155.3° | 142.6° |
| O7 | C20 | C12 | C11 | 83.4° | 98.5° |
| O7 | C20 | C12 | H21 | 39.4° | 23.7° |
| O7 | C20 | C19 | H25 | 103.0° | 122.7° |
| N4 | C18 | N8 | C17 | 177.5° | 180.0° |
| C18 | N4 | C13 | O5 | 123.4° | 156.4° |
| C18 | N4 | C13 | H22 | 4.1° | 34.2° |
| C18 | N4 | C14 | H23 | 179.7° | 180.0° |
| C13 | N4 | C18 | N8 | 1.6° | 0.1° |
| N4 | C13 | O5 | H22 | 119.0° | 122.3° |
| N4 | C13 | O5 | C12 | 151.0° | 159.3° |
| C13 | N4 | C14 | H23 | 3.0° | 0.2° |
| N4 | C13 | C19 | H25 | 6.4° | 24.1° |
| C18 | N8 | C17 | H24 | 179.9° | 180.0° |
| C20 | C12 | O5 | C13 | 40.3° | 40.5° |
| C20 | C12 | O5 | C11 | 126.3° | 118.8° |
| C20 | C12 | O5 | H21 | 115.1° | 119.0° |
| C20 | C12 | C11 | H21 | 122.8° | 122.3° |
| C20 | C12 | C11 | N3 | 177.0° | 178.5° |
| C20 | C12 | C11 | H19 | 56.6° | 61.5° |
| C20 | C12 | C11 | H20 | 62.6° | 58.5° |
| C12 | C20 | C19 | H25 | 137.9° | 118.7° |
| C12 | C20 | O7 | H35 | 66.5° | 176.0° |
| C13 | O5 | C12 | C11 | 166.5° | 159.3° |
| C13 | O5 | C12 | H21 | 74.9° | 78.5° |
| O5 | C13 | C19 | H25 | 114.7° | 94.8° |
| O5 | C12 | C11 | H21 | 119.2° | 122.3° |
| O5 | C12 | C11 | N3 | 65.0° | 66.1° |
| O5 | C12 | C11 | H19 | 174.5° | 53.9° |
| O5 | C12 | C11 | H20 | 55.4° | 173.9° |
| C12 | O5 | C13 | H22 | 90.0° | 78.4° |
| O5 | C12 | C20 | H26 | 80.1° | 94.7° |
| C12 | C11 | N3 | H19 | 120.4° | 120.0° |
| C12 | C11 | N3 | H20 | 120.4° | 120.0° |
| C12 | C11 | N3 | C9 | 143.4° | 56.2° |
| C12 | C11 | N3 | C8 | 83.3° | 67.8° |
| C12 | C11 | H19 | H20 | 118.8° | 120.0° |
| C11 | C12 | C20 | H26 | 41.1° | 24.2° |
| N | C | C1 | H17 | 119.6° | 120.1° |
| N | C | C1 | H18 | 119.6° | 120.0° |
| N | C | C1 | S | 142.7° | 180.0° |
| N | C | C1 | H6 | 96.7° | 60.0° |
| N | C | C1 | H7 | 22.0° | 59.9° |
| C | N | H14 | H15 | 120.0° | 123.9° |
| N | C | H17 | H18 | 121.3° | 120.0° |
| C11 | N3 | C9 | C8 | 135.5° | 124.0° |
| C11 | N3 | C9 | C10 | 80.5° | 71.4° |
| C11 | N3 | C8 | C7 | 75.5° | 171.5° |
| C11 | N3 | C8 | H2 | 45.2° | 68.5° |
| C11 | N3 | C8 | H3 | 163.8° | 51.6° |
| C11 | N3 | C9 | H4 | 40.7° | 168.6° |
| C11 | N3 | C9 | H5 | 158.3° | 48.6° |
| N3 | C11 | H19 | H20 | 118.7° | 120.0° |
| N3 | C11 | C12 | H21 | 54.2° | 56.2° |
| N10 | C22 | N11 | C21 | 179.8° | 179.9° |
| N10 | C22 | N11 | C23 | 179.3° | 180.0° |
| N10 | C22 | C21 | N9 | 2.7° | 0.0° |
| N10 | C22 | C21 | C24 | 179.8° | 179.9° |
| C22 | N10 | H30 | H31 | 120.0° | 180.0° |
| C | C1 | S | O1 | 61.4° | 62.0° |
| C | C1 | S | H6 | 120.6° | 119.9° |
| C | C1 | S | H7 | 120.6° | 120.1° |
| C | C1 | S | O | 168.4° | 74.7° |
| C | C1 | S | N1 | 53.5° | 173.6° |
| C | C1 | H6 | H7 | 117.9° | 120.0° |
| C1 | C | N | H14 | 180.0° | 56.1° |
| C1 | C | N | H15 | 60.0° | 180.0° |
| C1 | C | H17 | H18 | 121.2° | 120.0° |
| O1 | S | C1 | O | 130.2° | 136.8° |
| O1 | S | C1 | N1 | 114.9° | 111.6° |
| O1 | S | O | N1 | 121.2° | 116.7° |
| O1 | S | N1 | C2 | 16.3° | 53.9° |
| O1 | S | N1 | H1 | 105.5° | 126.3° |
| O1 | S | C1 | H6 | 177.9° | 178.1° |
| O1 | S | C1 | H7 | 59.2° | 58.1° |
| N11 | C22 | C21 | N9 | 177.1° | 179.9° |
| N11 | C22 | C21 | C24 | 0.4° | 0.0° |
| C22 | N11 | C23 | N12 | 0.4° | 0.1° |
| C22 | N11 | C23 | H27 | 179.7° | 180.0° |
| N11 | C22 | N10 | H30 | 0.0° | 0.0° |
| N11 | C22 | N10 | H31 | 120.0° | 180.0° |
| C21 | C22 | N11 | C23 | 0.8° | 0.1° |
| C22 | C21 | N9 | C24 | 177.6° | 179.9° |
| C22 | C21 | N9 | C5 | 176.7° | 179.9° |
| C22 | C21 | C24 | N12 | 0.7° | 0.1° |
| C22 | C21 | C24 | N2 | 177.5° | 179.8° |
| C21 | C22 | N10 | H30 | 179.8° | 180.0° |
| C21 | C22 | N10 | H31 | 59.8° | 0.0° |
| C1 | S | O | N1 | 115.5° | 111.7° |
| C1 | S | N1 | C2 | 131.7° | 62.1° |
| C1 | S | N1 | H1 | 9.9° | 117.6° |
| S | C1 | H6 | H7 | 118.0° | 120.0° |
| S | C1 | C | H17 | 23.1° | 59.9° |
| S | C1 | C | H18 | 97.8° | 60.0° |
| N3 | C9 | C10 | O4 | 27.7° | 5.7° |
| N3 | C9 | C10 | H4 | 121.1° | 120.1° |
| N3 | C9 | C10 | H5 | 121.1° | 120.0° |
| C9 | N3 | C8 | C7 | 149.8° | 64.4° |
| N3 | C9 | C10 | O3 | 152.4° | 174.3° |
| C9 | N3 | C8 | H2 | 89.5° | 55.5° |
| C9 | N3 | C8 | H3 | 29.1° | 175.6° |
| N3 | C9 | H4 | H5 | 116.3° | 120.0° |
| C9 | N3 | C11 | H19 | 96.2° | 176.2° |
| C9 | N3 | C11 | H20 | 22.9° | 63.8° |
| C8 | N3 | C9 | C10 | 55.0° | 164.6° |
| N3 | C8 | C7 | C6 | 69.3° | 82.5° |
| N3 | C8 | C7 | H2 | 120.7° | 120.0° |
| N3 | C8 | C7 | H3 | 120.7° | 120.0° |
| N3 | C8 | H2 | H3 | 117.7° | 120.1° |
| C8 | N3 | C9 | H4 | 176.2° | 44.6° |
| C8 | N3 | C9 | H5 | 66.2° | 75.4° |
| C8 | N3 | C11 | H19 | 37.1° | 52.2° |
| C8 | N3 | C11 | H20 | 156.2° | 172.2° |
| N11 | C23 | N12 | H27 | 180.0° | 179.9° |
| N11 | C23 | N12 | C24 | 0.6° | 0.0° |
| C21 | N9 | C5 | C6 | 177.6° | 179.8° |
| C21 | N9 | C5 | N2 | 1.0° | 0.2° |
| N9 | C21 | C24 | N12 | 178.7° | 180.0° |
| N9 | C21 | C24 | N2 | 0.5° | 0.1° |
| C5 | N9 | C21 | C24 | 0.9° | 0.0° |
| N9 | C5 | C6 | N2 | 178.5° | 180.0° |
| N9 | C5 | C6 | C7 | 5.6° | 18.8° |
| N9 | C5 | N2 | C24 | 0.8° | 0.2° |
| N9 | C5 | N2 | C4 | 179.5° | 180.0° |
| C21 | C24 | N12 | C23 | 1.2° | 0.1° |
| C21 | C24 | N2 | C5 | 0.1° | 0.2° |
| C21 | C24 | N12 | N2 | 177.9° | 179.8° |
| C21 | C24 | N2 | C4 | 179.9° | 180.0° |
| O4 | C10 | C9 | O3 | 179.9° | 180.0° |
| O4 | C10 | C9 | H4 | 93.4° | 114.3° |
| O4 | C10 | C9 | H5 | 148.9° | 125.8° |
| O4 | C10 | O3 | H11 | 0.0° | 0.1° |
| O | S | N1 | C2 | 112.5° | 178.2° |
| O | S | N1 | H1 | 125.7° | 1.5° |
| O | S | C1 | H6 | 47.7° | 45.2° |
| O | S | C1 | H7 | 71.0° | 165.2° |
| S | N1 | C2 | H1 | 121.8° | 179.7° |
| S | N1 | C2 | C3 | 83.2° | 159.8° |
| N1 | S | C1 | H6 | 67.1° | 66.5° |
| N1 | S | C1 | H7 | 174.1° | 53.5° |
| S | N1 | C2 | H12 | 37.3° | 80.2° |
| S | N1 | C2 | H13 | 156.3° | 39.8° |
| C10 | C9 | H4 | H5 | 116.4° | 119.9° |
| C9 | C10 | O3 | H11 | 179.9° | 180.0° |
| C23 | N12 | C24 | N2 | 176.7° | 179.8° |
| C5 | C6 | C7 | C8 | 177.9° | 176.4° |
| C6 | C5 | N2 | C24 | 177.9° | 179.8° |
| C6 | C5 | N2 | C4 | 1.8° | 0.0° |
| N2 | C5 | C6 | C7 | 175.8° | 161.2° |
| C5 | N2 | C24 | N12 | 178.1° | 179.9° |
| C5 | N2 | C24 | C4 | 179.8° | 179.7° |
| C5 | N2 | C4 | O2 | 70.5° | 43.1° |
| C5 | N2 | C4 | C25 | 51.3° | 71.0° |
| C5 | N2 | C4 | H9 | 171.7° | 166.2° |
| C6 | C7 | C8 | H2 | 170.0° | 157.5° |
| C6 | C7 | C8 | H3 | 51.4° | 37.6° |
| C7 | C8 | H2 | H3 | 117.8° | 119.9° |
| O3 | C10 | C9 | H4 | 86.5° | 65.6° |
| O3 | C10 | C9 | H5 | 31.3° | 54.3° |
| N12 | C24 | N2 | C4 | 1.7° | 0.2° |
| C24 | N12 | C23 | H27 | 179.4° | 179.9° |
| C24 | N2 | C4 | O2 | 109.2° | 136.6° |
| C24 | N2 | C4 | C25 | 128.9° | 109.3° |
| C24 | N2 | C4 | H9 | 8.6° | 13.5° |
| O2 | C3 | C2 | N1 | 151.7° | 68.5° |
| O2 | C3 | C2 | C26 | 117.0° | 117.9° |
| O2 | C3 | C2 | H10 | 118.8° | 121.1° |
| C3 | O2 | C4 | N2 | 143.5° | 158.6° |
| O2 | C3 | C26 | H10 | 118.5° | 119.5° |
| C3 | O2 | C4 | C25 | 15.8° | 40.0° |
| O2 | C3 | C26 | C25 | 29.8° | 2.1° |
| O2 | C3 | C26 | O9 | 88.1° | 120.7° |
| C3 | O2 | C4 | H9 | 99.1° | 78.4° |
| O2 | C3 | C2 | H12 | 31.2° | 51.6° |
| O2 | C3 | C2 | H13 | 87.8° | 171.6° |
| O2 | C3 | C26 | H29 | 147.6° | 116.7° |
| C4 | O2 | C3 | C2 | 115.1° | 146.0° |
| O2 | C4 | N2 | C25 | 121.9° | 114.1° |
| O2 | C4 | N2 | H9 | 117.8° | 123.1° |
| C4 | O2 | C3 | C26 | 9.0° | 26.5° |
| O2 | C4 | C25 | H9 | 115.8° | 118.6° |
| O2 | C4 | C25 | C26 | 33.6° | 37.0° |
| O2 | C4 | C25 | O8 | 153.1° | 155.2° |
| C4 | O2 | C3 | H10 | 126.8° | 93.0° |
| O2 | C4 | C25 | H28 | 83.3° | 81.2° |
| N1 | C2 | C3 | H12 | 120.5° | 120.0° |
| N1 | C2 | C3 | H13 | 120.5° | 120.0° |
| N1 | C2 | C3 | C26 | 91.3° | 173.7° |
| N1 | C2 | C3 | H10 | 32.9° | 52.7° |
| N1 | C2 | H12 | H13 | 118.4° | 120.0° |
| C2 | C3 | C26 | H10 | 124.3° | 120.9° |
| C2 | C3 | C26 | C25 | 87.5° | 121.6° |
| C2 | C3 | C26 | O9 | 154.7° | 119.7° |
| C3 | C2 | N1 | H1 | 155.0° | 20.5° |
| C3 | C2 | H12 | H13 | 118.4° | 120.0° |
| C2 | C3 | C26 | H29 | 30.4° | 2.9° |
| N2 | C4 | C25 | H9 | 120.7° | 122.9° |
| N2 | C4 | C25 | C26 | 157.1° | 155.5° |
| N2 | C4 | C25 | O8 | 83.5° | 86.3° |
| N2 | C4 | C25 | H28 | 40.2° | 37.4° |
| C3 | C26 | C25 | C4 | 37.6° | 20.8° |
| C3 | C26 | C25 | O9 | 116.8° | 118.7° |
| C3 | C26 | C25 | H29 | 117.9° | 118.7° |
| C3 | C26 | C25 | O8 | 153.3° | 139.1° |
| C3 | C26 | O9 | H29 | 123.4° | 122.6° |
| C26 | C3 | C2 | H12 | 148.2° | 66.3° |
| C26 | C3 | C2 | H13 | 29.2° | 53.7° |
| C3 | C26 | C25 | H28 | 79.4° | 97.3° |
| C3 | C26 | O9 | H37 | 180.0° | 180.0° |
| C4 | C25 | C26 | O8 | 115.7° | 118.3° |
| C4 | C25 | C26 | H28 | 117.0° | 118.2° |
| C4 | C25 | O8 | H28 | 122.7° | 123.7° |
| C4 | C25 | C26 | O9 | 79.2° | 97.8° |
| C4 | C25 | C26 | H29 | 155.5° | 139.6° |
| C4 | C25 | O8 | H36 | 180.0° | 180.0° |
| C26 | C25 | O8 | H28 | 126.4° | 123.6° |
| C25 | C26 | O9 | H29 | 124.4° | 122.6° |
| C26 | C25 | C4 | H9 | 82.2° | 81.6° |
| C25 | C26 | C3 | H10 | 148.3° | 117.4° |
| C26 | C25 | O8 | H36 | 69.1° | 67.3° |
| C25 | C26 | O9 | H37 | 67.7° | 65.3° |
| O8 | C25 | C26 | O9 | 36.5° | 20.4° |
| O8 | C25 | C4 | H9 | 37.2° | 36.6° |
| O8 | C25 | C26 | H29 | 88.8° | 102.2° |
| O9 | C26 | C3 | H10 | 30.4° | 1.2° |
| O9 | C26 | C25 | H28 | 163.8° | 144.0° |
| H1 | N1 | C2 | H12 | 84.5° | 99.5° |
| H1 | N1 | C2 | H13 | 34.5° | 140.5° |
| H6 | C1 | C | H17 | 143.7° | 60.0° |
| H6 | C1 | C | H18 | 22.9° | 180.0° |
| H7 | C1 | C | H17 | 97.6° | NaN° |
| H7 | C1 | C | H18 | 141.6° | 60.1° |
| H9 | C4 | C25 | H28 | 160.9° | 160.2° |
| H10 | C3 | C2 | H12 | 87.6° | 172.7° |
| H10 | C3 | C2 | H13 | 153.4° | 67.3° |
| H10 | C3 | C26 | H29 | 93.9° | 123.8° |
| H14 | N | C | H17 | 60.4° | 64.0° |
| H14 | N | C | H18 | 60.4° | 176.1° |
| H15 | N | C | H17 | 59.6° | 60.0° |
| H15 | N | C | H18 | 179.6° | 60.0° |
| H19 | C11 | C12 | H21 | 66.2° | 176.2° |
| H20 | C11 | C12 | H21 | 174.6° | 63.8° |
| H21 | C12 | C20 | H26 | 164.0° | 146.4° |
| H22 | C13 | C19 | H25 | 127.4° | 146.5° |
| H25 | C19 | C20 | H26 | 20.7° | 0.1° |
| H25 | C19 | O6 | H34 | 56.9° | 61.2° |
| H26 | C20 | O7 | H35 | 57.2° | 61.3° |
| H28 | C25 | C26 | H29 | 38.5° | 21.4° |
| H28 | C25 | O8 | H36 | 57.3° | 56.3° |
| H29 | C26 | O9 | H37 | 56.6° | 57.4° |
