649
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C27 | sing | 1.33Å | 1.35Å | Aromatic |
| C26 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C27 | sing | 1.38Å | 1.34Å | |
| C27 | C24 | doub | 1.41Å | 1.48Å | Aromatic |
| N3 | C25 | doub | 1.33Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.37Å | Aromatic |
| C25 | N1 | sing | 1.37Å | 1.33Å | Aromatic |
| O7 | C21 | sing | 1.43Å | 1.43Å | |
| C24 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| C21 | C20 | sing | 1.55Å | 1.51Å | |
| N1 | C22 | sing | 1.46Å | 1.47Å | |
| N1 | C23 | sing | 1.36Å | 1.33Å | Aromatic |
| N2 | C23 | doub | 1.30Å | 1.36Å | Aromatic |
| C22 | O6 | sing | 1.44Å | 1.43Å | |
| O8 | C20 | sing | 1.43Å | 1.41Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| O6 | C19 | sing | 1.44Å | 1.40Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | O5 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| O5 | S | sing | 1.52Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| O2 | C17 | doub | 1.21Å | 1.21Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | N6 | sing | 1.35Å | 1.33Å | |
| S | N6 | sing | 1.66Å | 1.53Å | |
| S | O3 | doub | 1.42Å | 1.47Å | |
| S | O4 | doub | 1.42Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | O1 | sing | 1.43Å | 1.45Å | |
| O1 | C5 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| O8 | H34 | sing | 0.97Å | 0.95Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| C23 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N4 | C27 | 119.9° | 121.2° |
| N4 | C26 | N3 | 122.5° | 122.5° |
| N4 | C26 | H35 | 118.8° | 118.8° |
| N4 | C27 | N5 | 120.0° | 120.8° |
| N4 | C27 | C24 | 118.8° | 118.4° |
| C26 | N3 | C25 | 121.6° | 120.6° |
| N3 | C26 | H35 | 118.8° | 118.8° |
| N5 | C27 | C24 | 121.3° | 120.8° |
| C27 | N5 | H36 | 109.5° | 120.1° |
| C27 | N5 | H37 | 109.5° | 120.0° |
| C27 | C24 | C25 | 117.7° | 118.1° |
| C27 | C24 | N2 | 135.0° | 134.7° |
| N3 | C25 | C24 | 119.7° | 119.1° |
| N3 | C25 | N1 | 132.1° | 134.9° |
| C24 | C25 | N1 | 108.3° | 106.0° |
| C25 | C24 | N2 | 107.4° | 107.2° |
| C25 | N1 | C22 | 123.9° | 126.3° |
| C25 | N1 | C23 | 108.2° | 107.4° |
| O7 | C21 | C22 | 110.1° | 110.9° |
| O7 | C21 | C20 | 111.3° | 110.9° |
| O7 | C21 | H31 | 111.7° | 110.8° |
| C21 | O7 | H32 | 109.5° | 114.0° |
| C24 | N2 | C23 | 107.2° | 109.4° |
| C22 | C21 | C20 | 102.4° | 102.1° |
| C21 | C22 | N1 | 108.7° | 110.8° |
| C21 | C22 | O6 | 106.2° | 103.5° |
| C21 | C22 | H30 | 109.2° | 110.6° |
| C22 | C21 | H31 | 110.4° | 110.9° |
| C21 | C20 | O8 | 113.7° | 110.4° |
| C21 | C20 | C19 | 102.7° | 104.0° |
| C20 | C21 | H31 | 110.6° | 111.0° |
| C21 | C20 | H33 | 109.4° | 110.5° |
| C22 | N1 | C23 | 127.9° | 126.3° |
| N1 | C22 | O6 | 112.4° | 110.6° |
| N1 | C22 | H30 | 109.8° | 110.6° |
| N1 | C23 | N2 | 109.0° | 110.0° |
| N1 | C23 | H38 | 125.5° | 125.0° |
| N2 | C23 | H38 | 125.5° | 125.0° |
| C22 | O6 | C19 | 111.0° | 107.0° |
| O6 | C22 | H30 | 110.4° | 110.6° |
| O8 | C20 | C19 | 110.5° | 110.7° |
| O8 | C20 | H33 | 110.8° | 110.6° |
| C20 | O8 | H34 | 109.5° | 114.0° |
| C20 | C19 | O6 | 104.3° | 107.4° |
| C20 | C19 | C18 | 112.5° | 109.9° |
| C20 | C19 | H29 | 108.9° | 109.9° |
| C19 | C20 | H33 | 109.3° | 110.5° |
| O6 | C19 | C18 | 111.5° | 109.9° |
| O6 | C19 | H29 | 110.6° | 109.8° |
| C19 | C18 | O5 | 109.7° | 109.5° |
| C19 | C18 | H27 | 109.4° | 109.5° |
| C19 | C18 | H28 | 109.4° | 109.5° |
| C18 | C19 | H29 | 108.9° | 109.9° |
| C18 | O5 | S | 121.1° | 114.0° |
| O5 | C18 | H27 | 109.4° | 109.5° |
| O5 | C18 | H28 | 109.4° | 109.4° |
| C12 | C13 | C14 | 113.3° | 109.5° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C12 | C13 | H5 | 108.5° | 109.4° |
| C12 | C13 | H6 | 108.5° | 109.5° |
| C13 | C12 | H18 | 108.9° | 109.4° |
| C13 | C12 | H19 | 108.9° | 109.5° |
| C13 | C14 | C15 | 113.1° | 109.4° |
| C14 | C13 | H5 | 108.5° | 109.5° |
| C14 | C13 | H6 | 108.5° | 109.5° |
| C13 | C14 | H16 | 108.6° | 109.5° |
| C13 | C14 | H17 | 108.5° | 109.5° |
| C12 | C11 | C10 | 112.5° | 109.5° |
| C12 | C11 | H7 | 108.7° | 109.5° |
| C12 | C11 | H8 | 108.7° | 109.5° |
| C11 | C12 | H18 | 108.9° | 109.5° |
| C11 | C12 | H19 | 108.9° | 109.5° |
| O5 | S | N6 | 112.0° | 107.2° |
| O5 | S | O3 | 112.2° | 106.4° |
| O5 | S | O4 | 105.6° | 106.4° |
| C14 | C15 | C16 | 109.1° | 109.4° |
| C14 | C15 | H1 | 109.6° | 109.5° |
| C14 | C15 | H2 | 109.6° | 109.5° |
| C15 | C14 | H16 | 108.6° | 109.5° |
| C15 | C14 | H17 | 108.5° | 109.5° |
| C15 | C16 | C17 | 113.7° | 109.5° |
| C16 | C15 | H1 | 109.5° | 109.4° |
| C16 | C15 | H2 | 109.6° | 109.5° |
| C15 | C16 | H3 | 108.4° | 109.5° |
| C15 | C16 | H4 | 108.4° | 109.5° |
| O2 | C17 | C16 | 121.2° | 120.0° |
| O2 | C17 | N6 | 122.9° | 120.0° |
| C11 | C10 | C9 | 108.6° | 109.5° |
| C10 | C11 | H7 | 108.7° | 109.5° |
| C10 | C11 | H8 | 108.7° | 109.5° |
| C11 | C10 | H9 | 109.7° | 109.5° |
| C11 | C10 | H10 | 109.7° | 109.5° |
| C10 | C9 | C8 | 109.9° | 109.5° |
| C9 | C10 | H9 | 109.7° | 109.5° |
| C9 | C10 | H10 | 109.7° | 109.5° |
| C10 | C9 | H20 | 109.4° | 109.4° |
| C10 | C9 | H21 | 109.4° | 109.5° |
| C16 | C17 | N6 | 115.9° | 120.0° |
| C17 | C16 | H3 | 108.4° | 109.5° |
| C17 | C16 | H4 | 108.4° | 109.5° |
| C17 | N6 | S | 121.4° | 120.0° |
| C17 | N6 | H26 | 119.3° | 120.0° |
| N6 | S | O3 | 105.8° | 106.4° |
| N6 | S | O4 | 110.8° | 106.4° |
| S | N6 | H26 | 119.3° | 120.0° |
| O3 | S | O4 | 110.5° | 123.2° |
| C9 | C8 | C7 | 111.4° | 109.5° |
| C8 | C9 | H20 | 109.4° | 109.5° |
| C8 | C9 | H21 | 109.4° | 109.5° |
| C9 | C8 | H22 | 109.0° | 109.5° |
| C9 | C8 | H23 | 109.0° | 109.5° |
| C8 | C7 | O1 | 117.1° | 109.5° |
| C7 | C8 | H22 | 109.0° | 109.5° |
| C7 | C8 | H23 | 109.0° | 109.4° |
| C8 | C7 | H24 | 107.6° | 109.5° |
| C8 | C7 | H25 | 107.5° | 109.4° |
| C7 | O1 | C5 | 124.7° | 117.0° |
| O1 | C7 | H24 | 107.5° | 109.5° |
| O1 | C7 | H25 | 107.6° | 109.4° |
| O1 | C5 | C4 | 117.3° | 120.1° |
| O1 | C5 | C6 | 122.2° | 120.1° |
| C4 | C5 | C6 | 120.5° | 119.9° |
| C5 | C4 | C3 | 120.1° | 120.0° |
| C5 | C4 | H14 | 119.9° | 120.0° |
| C5 | C6 | C1 | 119.5° | 120.0° |
| C5 | C6 | H13 | 120.3° | 120.0° |
| C4 | C3 | C2 | 119.1° | 120.0° |
| C3 | C4 | H14 | 120.0° | 120.0° |
| C4 | C3 | H15 | 120.4° | 120.0° |
| C6 | C1 | C2 | 120.2° | 120.1° |
| C6 | C1 | H12 | 119.9° | 120.0° |
| C1 | C6 | H13 | 120.2° | 120.0° |
| C3 | C2 | C1 | 120.6° | 120.1° |
| C3 | C2 | H11 | 119.7° | 119.9° |
| C2 | C3 | H15 | 120.4° | 120.0° |
| C1 | C2 | H11 | 119.7° | 120.0° |
| C2 | C1 | H12 | 119.9° | 119.9° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C16 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H22 | C8 | H23 | 109.4° | 109.5° |
| H24 | C7 | H25 | 109.5° | 109.4° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H36 | N5 | H37 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C26 | N3 | H35 | 180.0° | 180.0° |
| C26 | N4 | C27 | N5 | 179.5° | 180.0° |
| C26 | N4 | C27 | C24 | 0.1° | 0.0° |
| N4 | C26 | N3 | C25 | 0.6° | 0.0° |
| C27 | N4 | C26 | N3 | 0.3° | 0.0° |
| N4 | C27 | N5 | C24 | 179.6° | 179.9° |
| N4 | C27 | C24 | C25 | 0.2° | 0.0° |
| N4 | C27 | C24 | N2 | 179.5° | 180.0° |
| C27 | N4 | C26 | H35 | 179.7° | 180.0° |
| N4 | C27 | N5 | H36 | 0.0° | 0.1° |
| N4 | C27 | N5 | H37 | 120.0° | 180.0° |
| C26 | N3 | C25 | C24 | 0.7° | 0.0° |
| C26 | N3 | C25 | N1 | 179.8° | 180.0° |
| N5 | C27 | C24 | C25 | 179.4° | 179.9° |
| N5 | C27 | C24 | N2 | 0.8° | 0.0° |
| C27 | N5 | H36 | H37 | 120.0° | 180.0° |
| C27 | C24 | C25 | N3 | 0.5° | 0.0° |
| C27 | C24 | C25 | N2 | 179.8° | 180.0° |
| C27 | C24 | C25 | N1 | 179.9° | 180.0° |
| C27 | C24 | N2 | C23 | 179.9° | 179.8° |
| C24 | C27 | N5 | H36 | 179.6° | 180.0° |
| C24 | C27 | N5 | H37 | 60.4° | 0.0° |
| N3 | C25 | C24 | N1 | 179.6° | 179.9° |
| N3 | C25 | C24 | N2 | 179.3° | 180.0° |
| N3 | C25 | N1 | C22 | 0.7° | 0.0° |
| N3 | C25 | N1 | C23 | 179.4° | 179.8° |
| C25 | N3 | C26 | H35 | 179.4° | 180.0° |
| C24 | C25 | N1 | C22 | 179.8° | 180.0° |
| C24 | C25 | N1 | C23 | 0.1° | 0.2° |
| C25 | C24 | N2 | C23 | 0.3° | 0.3° |
| N1 | C25 | C24 | N2 | 0.3° | 0.0° |
| C25 | N1 | C22 | C21 | 85.6° | 89.7° |
| C25 | N1 | C22 | C23 | 179.8° | 179.7° |
| C25 | N1 | C23 | N2 | 0.1° | 0.4° |
| C25 | N1 | C22 | O6 | 157.1° | 156.2° |
| C25 | N1 | C22 | H30 | 33.8° | 33.3° |
| C25 | N1 | C23 | H38 | 179.8° | 179.8° |
| O7 | C21 | C22 | C20 | 118.4° | 118.2° |
| O7 | C21 | C22 | H31 | 123.8° | 123.6° |
| O7 | C21 | C20 | H31 | 124.8° | 123.6° |
| O7 | C21 | C22 | N1 | 142.1° | 86.2° |
| O7 | C21 | C22 | O6 | 96.8° | 155.3° |
| O7 | C21 | C20 | O8 | 36.1° | 20.4° |
| O7 | C21 | C20 | C19 | 83.3° | 139.2° |
| O7 | C21 | C22 | H30 | 22.2° | 36.8° |
| O7 | C21 | C20 | H33 | 160.7° | 102.3° |
| C24 | N2 | C23 | N1 | 0.3° | 0.4° |
| C24 | N2 | C23 | H38 | 179.7° | 179.8° |
| C22 | C21 | C20 | H31 | 117.6° | 118.2° |
| C21 | C22 | N1 | O6 | 117.3° | 114.1° |
| C21 | C22 | N1 | H30 | 119.4° | 123.0° |
| C21 | C22 | N1 | C23 | 94.2° | 90.6° |
| C21 | C22 | O6 | H30 | 118.2° | 118.5° |
| C22 | C21 | C20 | O8 | 153.7° | 97.8° |
| C22 | C21 | C20 | C19 | 34.2° | 21.0° |
| C21 | C22 | O6 | C19 | 0.7° | 40.0° |
| C22 | C21 | O7 | H32 | 180.0° | 180.0° |
| C22 | C21 | C20 | H33 | 81.8° | 139.6° |
| C20 | C21 | C22 | N1 | 99.6° | 155.6° |
| C20 | C21 | C22 | O6 | 21.6° | 37.1° |
| C21 | C20 | O8 | C19 | 114.9° | 114.7° |
| C21 | C20 | O8 | H33 | 123.7° | 122.6° |
| C21 | C20 | C19 | H33 | 116.1° | 118.6° |
| C21 | C20 | C19 | O6 | 35.5° | 1.9° |
| C21 | C20 | C19 | C18 | 156.5° | 121.4° |
| C21 | C20 | C19 | H29 | 82.6° | 117.5° |
| C20 | C21 | C22 | H30 | 140.6° | 81.4° |
| C20 | C21 | O7 | H32 | 67.3° | 67.3° |
| C21 | C20 | O8 | H34 | 180.0° | 61.5° |
| C22 | N1 | C23 | N2 | 180.0° | 179.9° |
| N1 | C22 | O6 | H30 | 123.0° | 122.9° |
| N1 | C22 | O6 | C19 | 119.5° | 158.7° |
| N1 | C22 | C21 | H31 | 18.2° | 37.4° |
| C22 | N1 | C23 | H38 | 0.0° | 0.0° |
| N1 | C23 | N2 | H38 | 180.0° | 179.9° |
| C23 | N1 | C22 | O6 | 23.1° | 23.5° |
| C23 | N1 | C22 | H30 | 146.4° | 146.4° |
| C22 | O6 | C19 | C20 | 22.7° | 26.4° |
| C22 | O6 | C19 | C18 | 144.4° | 145.9° |
| C22 | O6 | C19 | H29 | 94.2° | 93.1° |
| O6 | C22 | C21 | H31 | 139.4° | 81.2° |
| O8 | C20 | C19 | H33 | 122.3° | 122.8° |
| O8 | C20 | C19 | O6 | 157.1° | 120.5° |
| O8 | C20 | C19 | C18 | 81.8° | 120.0° |
| O8 | C20 | C19 | H29 | 39.1° | 1.1° |
| O8 | C20 | C21 | H31 | 88.7° | 144.0° |
| C20 | C19 | O6 | C18 | 121.7° | 119.5° |
| C20 | C19 | O6 | H29 | 117.0° | 119.5° |
| C20 | C19 | C18 | H29 | 120.9° | 121.0° |
| C20 | C19 | C18 | O5 | 179.2° | 175.3° |
| C20 | C19 | C18 | H27 | 60.7° | 64.7° |
| C20 | C19 | C18 | H28 | 59.2° | 55.3° |
| C19 | C20 | C21 | H31 | 151.9° | 97.2° |
| C19 | C20 | O8 | H34 | 65.1° | 176.2° |
| O6 | C19 | C18 | H29 | 122.3° | 121.0° |
| O6 | C19 | C18 | O5 | 62.4° | 66.7° |
| O6 | C19 | C18 | H27 | 177.5° | 53.3° |
| O6 | C19 | C18 | H28 | 57.6° | 173.3° |
| C19 | O6 | C22 | H30 | 117.5° | 78.5° |
| O6 | C19 | C20 | H33 | 80.6° | 116.7° |
| C19 | C18 | O5 | H27 | 120.1° | 120.0° |
| C19 | C18 | O5 | H28 | 120.0° | 119.9° |
| C19 | C18 | O5 | S | 179.2° | 180.0° |
| C19 | C18 | H27 | H28 | 119.9° | 120.0° |
| C18 | C19 | C20 | H33 | 40.4° | 2.8° |
| C18 | O5 | S | N6 | 58.4° | 75.0° |
| C18 | O5 | S | O3 | 60.6° | 171.5° |
| C18 | O5 | S | O4 | 179.0° | 38.6° |
| O5 | C18 | H27 | H28 | 119.9° | 120.0° |
| O5 | C18 | C19 | H29 | 59.9° | 54.2° |
| C12 | C13 | C14 | H5 | 120.6° | 120.0° |
| C12 | C13 | C14 | H6 | 120.6° | 120.0° |
| C13 | C12 | C11 | H18 | 120.4° | 120.0° |
| C13 | C12 | C11 | H19 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 177.3° | 180.0° |
| C13 | C12 | C11 | C10 | 163.6° | 180.0° |
| C12 | C13 | H5 | H6 | 118.2° | 119.9° |
| C13 | C12 | C11 | H7 | 75.9° | 60.0° |
| C13 | C12 | C11 | H8 | 43.1° | 60.0° |
| C12 | C13 | C14 | H16 | 56.8° | 60.0° |
| C12 | C13 | C14 | H17 | 62.1° | 60.0° |
| C13 | C12 | H18 | H19 | 118.9° | 119.9° |
| C14 | C13 | C12 | C11 | 71.0° | 180.0° |
| C13 | C14 | C15 | H16 | 120.5° | 120.0° |
| C13 | C14 | C15 | H17 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 179.2° | 180.0° |
| C13 | C14 | C15 | H1 | 60.9° | 60.1° |
| C13 | C14 | C15 | H2 | 59.2° | 60.0° |
| C14 | C13 | H5 | H6 | 118.2° | 120.0° |
| C13 | C14 | H16 | H17 | 118.3° | 120.0° |
| C14 | C13 | C12 | H18 | 49.3° | 60.0° |
| C14 | C13 | C12 | H19 | 168.6° | 60.0° |
| C12 | C11 | C10 | H7 | 120.5° | 120.0° |
| C12 | C11 | C10 | H8 | 120.5° | 120.0° |
| C12 | C11 | C10 | C9 | 178.9° | 180.0° |
| C11 | C12 | C13 | H5 | 49.5° | 60.0° |
| C11 | C12 | C13 | H6 | 168.4° | 60.0° |
| C12 | C11 | H7 | H8 | 118.6° | 120.0° |
| C12 | C11 | C10 | H9 | 61.2° | 60.0° |
| C12 | C11 | C10 | H10 | 59.1° | 60.0° |
| C11 | C12 | H18 | H19 | 118.9° | 120.0° |
| O5 | S | N6 | C17 | 43.3° | 65.0° |
| O5 | S | N6 | O3 | 122.6° | 113.5° |
| O5 | S | N6 | O4 | 117.6° | 113.6° |
| O5 | S | O3 | O4 | 117.5° | 122.9° |
| O5 | S | N6 | H26 | 136.7° | 115.0° |
| S | O5 | C18 | H27 | 59.1° | 60.0° |
| S | O5 | C18 | H28 | 60.8° | 60.1° |
| C14 | C15 | C16 | H1 | 119.9° | 119.9° |
| C14 | C15 | C16 | H2 | 119.9° | 120.0° |
| C14 | C15 | C16 | C17 | 179.3° | 180.0° |
| C14 | C15 | H1 | H2 | 120.2° | 120.0° |
| C14 | C15 | C16 | H3 | 58.6° | 60.0° |
| C14 | C15 | C16 | H4 | 60.1° | 60.0° |
| C15 | C14 | C13 | H5 | 62.1° | 60.0° |
| C15 | C14 | C13 | H6 | 56.8° | 60.0° |
| C15 | C14 | H16 | H17 | 118.3° | 120.0° |
| C15 | C16 | C17 | O2 | 34.6° | 0.0° |
| C15 | C16 | C17 | H3 | 120.6° | 120.0° |
| C15 | C16 | C17 | H4 | 120.6° | 120.0° |
| C15 | C16 | C17 | N6 | 147.6° | 180.0° |
| C16 | C15 | H1 | H2 | 120.2° | 120.0° |
| C15 | C16 | H3 | H4 | 118.0° | 120.0° |
| C16 | C15 | C14 | H16 | 58.6° | 60.0° |
| C16 | C15 | C14 | H17 | 60.3° | 60.0° |
| O2 | C17 | C16 | N6 | 177.8° | 180.0° |
| O2 | C17 | N6 | S | 9.0° | 0.0° |
| O2 | C17 | C16 | H3 | 155.2° | 120.0° |
| O2 | C17 | C16 | H4 | 86.0° | 120.0° |
| O2 | C17 | N6 | H26 | 171.0° | 180.0° |
| C11 | C10 | C9 | H9 | 119.9° | 120.0° |
| C11 | C10 | C9 | H10 | 119.9° | 120.0° |
| C11 | C10 | C9 | C8 | 174.2° | 180.0° |
| C10 | C11 | H7 | H8 | 118.6° | 120.0° |
| C11 | C10 | H9 | H10 | 120.4° | 120.0° |
| C10 | C11 | C12 | H18 | 43.2° | 60.0° |
| C10 | C11 | C12 | H19 | 76.1° | 60.0° |
| C11 | C10 | C9 | H20 | 65.7° | 60.0° |
| C11 | C10 | C9 | H21 | 54.2° | 60.0° |
| C10 | C9 | C8 | H20 | 120.1° | 119.9° |
| C10 | C9 | C8 | H21 | 120.1° | 120.1° |
| C10 | C9 | C8 | C7 | 166.2° | 180.0° |
| C9 | C10 | C11 | H7 | 58.5° | 60.0° |
| C9 | C10 | C11 | H8 | 60.6° | 60.0° |
| C9 | C10 | H9 | H10 | 120.4° | 120.0° |
| C10 | C9 | H20 | H21 | 119.8° | 120.0° |
| C10 | C9 | C8 | H22 | 73.5° | 60.0° |
| C10 | C9 | C8 | H23 | 45.9° | 60.0° |
| C16 | C17 | N6 | S | 173.3° | 180.0° |
| C17 | C16 | C15 | H1 | 60.8° | 60.0° |
| C17 | C16 | C15 | H2 | 59.3° | 60.0° |
| C17 | C16 | H3 | H4 | 118.1° | 120.0° |
| C16 | C17 | N6 | H26 | 6.7° | 0.0° |
| C17 | N6 | S | H26 | 180.0° | 180.0° |
| C17 | N6 | S | O3 | 165.9° | 48.5° |
| C17 | N6 | S | O4 | 74.3° | 178.6° |
| N6 | C17 | C16 | H3 | 27.0° | 60.0° |
| N6 | C17 | C16 | H4 | 91.8° | 60.0° |
| N6 | S | O3 | O4 | 120.0° | 123.0° |
| O3 | S | N6 | H26 | 14.1° | 131.5° |
| O4 | S | N6 | H26 | 105.7° | 1.5° |
| C9 | C8 | C7 | H22 | 120.3° | 120.0° |
| C9 | C8 | C7 | H23 | 120.3° | 120.0° |
| C9 | C8 | C7 | O1 | 157.0° | 180.0° |
| C8 | C9 | C10 | H9 | 54.3° | 60.0° |
| C8 | C9 | C10 | H10 | 65.9° | 60.0° |
| C8 | C9 | H20 | H21 | 119.8° | 120.0° |
| C9 | C8 | H22 | H23 | 119.2° | 120.0° |
| C9 | C8 | C7 | H24 | 35.9° | 60.0° |
| C9 | C8 | C7 | H25 | 81.9° | 60.0° |
| C8 | C7 | O1 | H24 | 121.1° | 120.1° |
| C8 | C7 | O1 | H25 | 121.1° | 120.0° |
| C8 | C7 | O1 | C5 | 155.2° | 180.0° |
| C7 | C8 | C9 | H20 | 46.1° | 60.0° |
| C7 | C8 | C9 | H21 | 73.8° | 60.0° |
| C7 | C8 | H22 | H23 | 119.1° | 120.0° |
| C8 | C7 | H24 | H25 | 116.6° | 120.0° |
| C7 | O1 | C5 | C4 | 159.0° | 180.0° |
| C7 | O1 | C5 | C6 | 20.6° | 0.4° |
| O1 | C7 | C8 | H22 | 82.7° | 59.9° |
| O1 | C7 | C8 | H23 | 36.7° | 60.0° |
| O1 | C7 | H24 | H25 | 116.5° | 119.9° |
| O1 | C5 | C4 | C6 | 179.6° | 179.7° |
| O1 | C5 | C4 | C3 | 179.6° | 179.9° |
| O1 | C5 | C6 | C1 | 179.2° | 179.7° |
| O1 | C5 | C6 | H13 | 0.7° | 0.3° |
| O1 | C5 | C4 | H14 | 0.4° | 0.3° |
| C5 | O1 | C7 | H24 | 83.7° | 59.9° |
| C5 | O1 | C7 | H25 | 34.1° | 60.0° |
| C5 | C4 | C3 | H14 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.4° | 0.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.5° |
| C4 | C5 | C6 | H13 | 179.7° | 180.0° |
| C5 | C4 | C3 | H15 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.2° |
| C5 | C6 | C1 | H13 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.6° | 0.0° |
| C5 | C6 | C1 | H12 | 179.4° | 180.0° |
| C6 | C5 | C4 | H14 | 180.0° | 180.0° |
| C4 | C3 | C2 | H15 | 180.0° | 179.5° |
| C4 | C3 | C2 | C1 | 0.0° | 0.6° |
| C4 | C3 | C2 | H11 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | H12 | 180.0° | 180.0° |
| C6 | C1 | C2 | H11 | 179.6° | 180.0° |
| C3 | C2 | C1 | H11 | 180.0° | 179.7° |
| C3 | C2 | C1 | H12 | 179.6° | 179.7° |
| C2 | C3 | C4 | H14 | 179.8° | 179.7° |
| C2 | C1 | C6 | H13 | 179.4° | 180.0° |
| C1 | C2 | C3 | H15 | 179.9° | 180.0° |
| H1 | C15 | C16 | H3 | 178.6° | 60.0° |
| H1 | C15 | C16 | H4 | 59.8° | 180.0° |
| H1 | C15 | C14 | H16 | 178.5° | 180.0° |
| H1 | C15 | C14 | H17 | 59.6° | 59.9° |
| H2 | C15 | C16 | H3 | 61.3° | 180.0° |
| H2 | C15 | C16 | H4 | 180.0° | 60.0° |
| H2 | C15 | C14 | H16 | 61.3° | 60.0° |
| H2 | C15 | C14 | H17 | 179.8° | 180.0° |
| H5 | C13 | C14 | H16 | 177.3° | 180.0° |
| H5 | C13 | C14 | H17 | 58.4° | 60.0° |
| H5 | C13 | C12 | H18 | 169.9° | NaN° |
| H5 | C13 | C12 | H19 | 70.8° | 60.1° |
| H6 | C13 | C14 | H16 | 63.8° | 60.0° |
| H6 | C13 | C14 | H17 | 177.3° | 180.0° |
| H6 | C13 | C12 | H18 | 71.2° | 60.1° |
| H6 | C13 | C12 | H19 | 48.1° | 180.0° |
| H7 | C11 | C10 | H9 | 178.4° | 60.0° |
| H7 | C11 | C10 | H10 | 61.4° | 180.0° |
| H7 | C11 | C12 | H18 | 163.7° | 60.0° |
| H7 | C11 | C12 | H19 | 44.4° | 180.0° |
| H8 | C11 | C10 | H9 | 59.3° | 180.0° |
| H8 | C11 | C10 | H10 | 179.5° | 60.0° |
| H8 | C11 | C12 | H18 | 77.2° | 180.0° |
| H8 | C11 | C12 | H19 | 163.5° | 60.0° |
| H9 | C10 | C9 | H20 | 174.4° | 180.0° |
| H9 | C10 | C9 | H21 | 65.7° | 60.0° |
| H10 | C10 | C9 | H20 | 54.2° | 60.0° |
| H10 | C10 | C9 | H21 | 174.0° | 180.0° |
| H11 | C2 | C1 | H12 | 0.4° | 0.0° |
| H11 | C2 | C3 | H15 | 0.1° | 0.3° |
| H12 | C1 | C6 | H13 | 0.5° | 0.0° |
| H14 | C4 | C3 | H15 | 0.2° | 0.2° |
| H20 | C9 | C8 | H22 | 166.4° | 180.0° |
| H20 | C9 | C8 | H23 | 74.2° | 60.0° |
| H21 | C9 | C8 | H22 | 46.5° | 60.1° |
| H21 | C9 | C8 | H23 | 165.9° | 180.0° |
| H22 | C8 | C7 | H24 | 156.2° | 180.0° |
| H22 | C8 | C7 | H25 | 38.4° | 60.0° |
| H23 | C8 | C7 | H24 | 84.4° | 60.0° |
| H23 | C8 | C7 | H25 | 157.8° | 180.0° |
| H27 | C18 | C19 | H29 | 60.2° | 174.3° |
| H28 | C18 | C19 | H29 | 179.9° | 65.7° |
| H29 | C19 | C20 | H33 | 161.3° | 123.9° |
| H30 | C22 | C21 | H31 | 101.6° | 160.3° |
| H31 | C21 | O7 | H32 | 56.9° | 56.3° |
| H31 | C21 | C20 | H33 | 35.8° | 21.3° |
| H33 | C20 | O8 | H34 | 56.2° | 61.1° |
