39S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C3 | doub | 1.21Å | 1.23Å | |
| O7 | C27 | doub | 1.21Å | 1.22Å | |
| O1 | C3 | sing | 1.34Å | 1.35Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C27 | O6 | sing | 1.34Å | 1.35Å | |
| C27 | C11 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O4 | C12 | doub | 1.22Å | 1.24Å | |
| C11 | N2 | sing | 1.46Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O2 | C4 | doub | 1.21Å | 1.20Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| C | C29 | sing | 1.51Å | 1.52Å | |
| C12 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | C13 | sing | 1.47Å | 1.51Å | |
| O11 | C29 | doub | 1.21Å | 1.23Å | |
| C26 | C13 | doub | 1.40Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C25 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | N | sing | 1.35Å | 1.32Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C29 | O10 | sing | 1.34Å | 1.34Å | |
| C17 | N3 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | N3 | sing | 1.39Å | 1.37Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C18 | N8 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.54Å | 1.51Å | |
| N1 | C8 | sing | 1.35Å | 1.35Å | |
| N1 | C7 | sing | 1.46Å | 1.47Å | |
| O8 | C28 | doub | 1.21Å | 1.33Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| N8 | C21 | sing | 1.41Å | 1.40Å | |
| C7 | C28 | sing | 1.51Å | 1.54Å | |
| C28 | O9 | sing | 1.34Å | 1.23Å | |
| C19 | N4 | sing | 1.47Å | 1.45Å | |
| O5 | C22 | doub | 1.22Å | 1.27Å | |
| C21 | C22 | sing | 1.40Å | 1.49Å | |
| C21 | C20 | doub | 1.39Å | 1.45Å | |
| N4 | C20 | sing | 1.39Å | 1.33Å | |
| C22 | N5 | sing | 1.35Å | 1.33Å | |
| C20 | N7 | sing | 1.34Å | 1.33Å | |
| N5 | C23 | sing | 1.36Å | 1.35Å | |
| N7 | C23 | doub | 1.32Å | 1.36Å | |
| C23 | N6 | sing | 1.37Å | 1.37Å | |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N8 | H4 | sing | 0.97Å | 1.00Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| O9 | H30 | sing | 0.97Å | 0.95Å | |
| N | H31 | sing | 0.97Å | 1.00Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| O1 | H37 | sing | 0.97Å | 0.95Å | |
| O10 | H38 | sing | 0.97Å | 0.95Å | |
| N5 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C3 | O1 | 122.4° | 120.0° |
| O | C3 | C2 | 118.5° | 120.0° |
| O7 | C27 | O6 | 121.7° | 120.0° |
| O7 | C27 | C11 | 117.8° | 120.0° |
| O1 | C3 | C2 | 119.1° | 120.1° |
| C3 | O1 | H37 | 109.5° | 117.1° |
| C3 | C2 | C1 | 108.2° | 109.5° |
| C3 | C2 | H35 | 109.8° | 109.5° |
| C3 | C2 | H36 | 109.8° | 109.4° |
| O6 | C27 | C11 | 120.5° | 120.0° |
| C27 | O6 | H23 | 109.5° | 117.0° |
| C27 | C11 | N2 | 106.7° | 109.5° |
| C27 | C11 | C10 | 110.6° | 109.4° |
| C27 | C11 | H18 | 107.7° | 109.5° |
| C2 | C1 | C | 111.5° | 109.5° |
| C2 | C1 | H33 | 109.0° | 109.5° |
| C2 | C1 | H34 | 108.9° | 109.4° |
| C1 | C2 | H35 | 109.8° | 109.5° |
| C1 | C2 | H36 | 109.8° | 109.5° |
| O4 | C12 | N2 | 120.5° | 120.0° |
| O4 | C12 | C13 | 117.6° | 120.0° |
| N2 | C11 | C10 | 116.0° | 109.5° |
| C11 | N2 | C12 | 119.7° | 120.0° |
| C11 | N2 | H17 | 120.2° | 120.0° |
| N2 | C11 | H18 | 108.3° | 109.5° |
| C11 | C10 | C9 | 114.3° | 109.5° |
| C10 | C11 | H18 | 107.3° | 109.5° |
| C11 | C10 | H19 | 108.3° | 109.5° |
| C11 | C10 | H20 | 108.2° | 109.5° |
| O2 | C4 | N | 121.7° | 120.0° |
| O2 | C4 | C5 | 121.5° | 120.0° |
| C1 | C | N | 109.1° | 109.5° |
| C1 | C | C29 | 108.1° | 109.5° |
| C1 | C | H32 | 107.9° | 109.5° |
| C | C1 | H33 | 108.9° | 109.5° |
| C | C1 | H34 | 109.0° | 109.5° |
| N | C | C29 | 114.6° | 109.5° |
| C | N | C4 | 123.9° | 120.0° |
| C | N | H31 | 118.0° | 120.0° |
| N | C | H32 | 108.9° | 109.5° |
| C | C29 | O11 | 120.5° | 120.0° |
| C | C29 | O10 | 121.2° | 120.0° |
| C29 | C | H32 | 108.1° | 109.5° |
| N2 | C12 | C13 | 121.8° | 120.0° |
| C12 | N2 | H17 | 120.1° | 120.0° |
| C12 | C13 | C26 | 118.4° | 120.1° |
| C12 | C13 | C14 | 124.1° | 120.1° |
| O11 | C29 | O10 | 118.3° | 120.0° |
| C13 | C26 | C25 | 121.2° | 119.9° |
| C26 | C13 | C14 | 117.5° | 119.8° |
| C13 | C26 | H13 | 119.4° | 120.0° |
| C26 | C25 | C16 | 121.7° | 120.1° |
| C25 | C26 | H13 | 119.4° | 120.1° |
| C26 | C25 | H14 | 119.1° | 120.0° |
| C13 | C14 | C15 | 121.0° | 120.0° |
| C13 | C14 | H16 | 119.5° | 120.0° |
| C10 | C9 | C8 | 110.6° | 109.5° |
| C9 | C10 | H19 | 108.2° | 109.4° |
| C9 | C10 | H20 | 108.3° | 109.4° |
| C10 | C9 | H21 | 109.2° | 109.4° |
| C10 | C9 | H22 | 109.2° | 109.5° |
| C25 | C16 | C15 | 117.0° | 120.2° |
| C25 | C16 | N3 | 123.1° | 119.9° |
| C16 | C25 | H14 | 119.1° | 120.0° |
| N | C4 | C5 | 116.7° | 120.0° |
| C4 | N | H31 | 118.1° | 120.0° |
| C4 | C5 | C6 | 114.6° | 109.5° |
| C4 | C5 | H28 | 108.2° | 109.4° |
| C4 | C5 | H29 | 108.2° | 109.5° |
| C29 | O10 | H38 | 109.5° | 117.0° |
| N3 | C17 | C18 | 114.9° | 109.5° |
| C17 | N3 | C16 | 126.4° | 120.0° |
| N3 | C17 | H10 | 108.1° | 109.4° |
| N3 | C17 | H11 | 108.1° | 109.5° |
| C17 | N3 | H12 | 105.1° | 119.9° |
| C17 | C18 | N8 | 115.8° | 109.8° |
| C17 | C18 | C19 | 112.9° | 109.7° |
| C17 | C18 | H6 | 106.2° | 109.7° |
| C18 | C17 | H10 | 108.1° | 109.5° |
| C18 | C17 | H11 | 108.1° | 109.5° |
| C14 | C15 | C16 | 121.5° | 120.1° |
| C14 | C15 | H15 | 119.2° | 120.0° |
| C15 | C14 | H16 | 119.5° | 120.0° |
| C15 | C16 | N3 | 119.9° | 119.9° |
| C16 | C15 | H15 | 119.2° | 120.0° |
| C16 | N3 | H12 | 105.1° | 120.0° |
| C5 | C6 | C7 | 115.8° | 109.5° |
| C5 | C6 | H26 | 107.8° | 109.5° |
| C5 | C6 | H27 | 107.9° | 109.5° |
| C6 | C5 | H28 | 108.2° | 109.5° |
| C6 | C5 | H29 | 108.2° | 109.5° |
| C9 | C8 | N1 | 116.4° | 120.0° |
| C9 | C8 | O3 | 117.0° | 120.0° |
| C8 | C9 | H21 | 109.2° | 109.5° |
| C8 | C9 | H22 | 109.2° | 109.5° |
| C6 | C7 | N1 | 105.5° | 109.5° |
| C6 | C7 | C28 | 113.4° | 109.5° |
| C6 | C7 | H25 | 107.1° | 109.5° |
| C7 | C6 | H26 | 107.9° | 109.5° |
| C7 | C6 | H27 | 107.9° | 109.4° |
| N8 | C18 | C19 | 108.0° | 108.1° |
| C18 | N8 | C21 | 113.8° | 118.5° |
| C18 | N8 | H4 | 108.4° | 120.8° |
| N8 | C18 | H6 | 106.8° | 109.8° |
| C18 | C19 | N4 | 111.4° | 108.3° |
| C19 | C18 | H6 | 106.4° | 109.7° |
| C18 | C19 | H7 | 109.0° | 109.6° |
| C18 | C19 | H8 | 109.0° | 109.7° |
| C8 | N1 | C7 | 126.3° | 120.0° |
| N1 | C8 | O3 | 126.6° | 120.0° |
| C8 | N1 | H24 | 116.8° | 120.0° |
| N1 | C7 | C28 | 115.2° | 109.5° |
| C7 | N1 | H24 | 116.8° | 120.0° |
| N1 | C7 | H25 | 108.1° | 109.5° |
| O8 | C28 | C7 | 121.4° | 119.9° |
| O8 | C28 | O9 | 114.1° | 120.0° |
| N8 | C21 | C22 | 123.9° | 120.8° |
| N8 | C21 | C20 | 119.0° | 120.1° |
| C21 | N8 | H4 | 108.4° | 120.8° |
| C7 | C28 | O9 | 124.5° | 120.0° |
| C28 | C7 | H25 | 107.2° | 109.4° |
| C28 | O9 | H30 | 109.5° | 117.0° |
| C19 | N4 | C20 | 122.3° | 119.1° |
| N4 | C19 | H7 | 109.0° | 109.7° |
| N4 | C19 | H8 | 109.0° | 109.7° |
| C19 | N4 | H9 | 106.2° | 120.4° |
| O5 | C22 | C21 | 123.3° | 120.8° |
| O5 | C22 | N5 | 119.5° | 120.7° |
| C22 | C21 | C20 | 117.1° | 119.1° |
| C21 | C22 | N5 | 117.2° | 118.5° |
| C21 | C20 | N4 | 119.2° | 119.8° |
| C21 | C20 | N7 | 120.2° | 119.6° |
| N4 | C20 | N7 | 120.5° | 120.5° |
| C20 | N4 | H9 | 106.2° | 120.5° |
| C22 | N5 | C23 | 122.3° | 120.2° |
| C22 | N5 | H39 | 118.8° | 119.9° |
| C20 | N7 | C23 | 120.1° | 121.0° |
| N5 | C23 | N7 | 123.1° | 121.6° |
| N5 | C23 | N6 | 118.4° | 119.2° |
| C23 | N5 | H39 | 118.9° | 119.9° |
| N7 | C23 | N6 | 118.5° | 119.2° |
| C23 | N6 | H1 | 120.0° | 119.9° |
| C23 | N6 | H2 | 120.0° | 120.0° |
| H1 | N6 | H2 | 120.0° | 120.0° |
| H7 | C19 | H8 | 109.5° | 109.7° |
| H10 | C17 | H11 | 109.5° | 109.4° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.5° |
| H26 | C6 | H27 | 109.4° | 109.5° |
| H28 | C5 | H29 | 109.5° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.4° |
| H35 | C2 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C3 | O1 | C2 | 179.0° | 180.0° |
| O | C3 | C2 | C1 | 65.2° | 0.1° |
| O | C3 | C2 | H35 | 54.6° | 120.0° |
| O | C3 | C2 | H36 | 175.0° | 120.1° |
| O | C3 | O1 | H37 | 0.0° | 0.0° |
| O7 | C27 | O6 | C11 | 179.9° | 180.0° |
| O7 | C27 | C11 | N2 | 112.1° | 0.0° |
| O7 | C27 | C11 | C10 | 120.9° | 120.0° |
| O7 | C27 | C11 | H18 | 3.9° | 120.0° |
| O7 | C27 | O6 | H23 | 0.0° | 0.0° |
| O1 | C3 | C2 | C1 | 113.8° | 180.0° |
| O1 | C3 | C2 | H35 | 126.3° | 59.9° |
| O1 | C3 | C2 | H36 | 5.9° | 60.0° |
| C3 | C2 | C1 | H35 | 119.8° | 120.1° |
| C3 | C2 | C1 | H36 | 119.8° | 120.0° |
| C3 | C2 | C1 | C | 57.0° | 180.0° |
| C3 | C2 | C1 | H33 | 63.2° | 59.9° |
| C3 | C2 | C1 | H34 | 177.4° | 60.0° |
| C3 | C2 | H35 | H36 | 120.6° | 119.9° |
| C2 | C3 | O1 | H37 | 179.0° | 179.9° |
| O6 | C27 | C11 | N2 | 67.8° | 180.0° |
| O6 | C27 | C11 | C10 | 59.2° | 60.0° |
| O6 | C27 | C11 | H18 | 176.2° | 60.0° |
| C27 | C11 | N2 | C10 | 123.7° | 120.0° |
| C27 | C11 | N2 | H18 | 115.7° | 120.0° |
| C27 | C11 | C10 | H18 | 117.2° | 120.0° |
| C27 | C11 | N2 | C12 | 118.5° | 85.0° |
| C27 | C11 | C10 | C9 | 135.0° | 175.0° |
| C27 | C11 | N2 | H17 | 61.5° | 95.0° |
| C27 | C11 | C10 | H19 | 14.4° | 65.1° |
| C27 | C11 | C10 | H20 | 104.3° | 55.0° |
| C11 | C27 | O6 | H23 | 179.9° | 180.0° |
| C2 | C1 | C | H33 | 120.3° | 120.0° |
| C2 | C1 | C | H34 | 120.3° | 120.0° |
| C2 | C1 | C | N | 58.3° | 65.0° |
| C2 | C1 | C | C29 | 176.4° | 175.0° |
| C2 | C1 | C | H32 | 59.8° | 55.0° |
| C2 | C1 | H33 | H34 | 119.1° | 119.9° |
| C1 | C2 | H35 | H36 | 120.6° | 120.0° |
| O4 | C12 | N2 | C11 | 10.4° | 0.0° |
| O4 | C12 | N2 | C13 | 176.0° | 180.0° |
| O4 | C12 | C13 | C26 | 2.4° | 179.7° |
| O4 | C12 | C13 | C14 | 179.1° | 0.0° |
| O4 | C12 | N2 | H17 | 169.6° | 180.0° |
| N2 | C11 | C10 | H18 | 121.1° | 120.0° |
| C11 | N2 | C12 | H17 | 180.0° | 179.9° |
| C11 | N2 | C12 | C13 | 165.6° | 180.0° |
| N2 | C11 | C10 | C9 | 13.4° | 65.0° |
| N2 | C11 | C10 | H19 | 107.3° | 54.9° |
| N2 | C11 | C10 | H20 | 134.1° | 175.0° |
| C10 | C11 | N2 | C12 | 117.8° | 155.0° |
| C11 | C10 | C9 | H19 | 120.7° | 120.0° |
| C11 | C10 | C9 | H20 | 120.7° | 120.0° |
| C11 | C10 | C9 | C8 | 168.1° | 180.0° |
| C10 | C11 | N2 | H17 | 62.2° | 24.9° |
| C11 | C10 | H19 | H20 | 117.8° | 120.1° |
| C11 | C10 | C9 | H21 | 71.7° | 60.0° |
| C11 | C10 | C9 | H22 | 48.0° | 60.0° |
| O2 | C4 | N | C | 5.4° | 0.0° |
| O2 | C4 | N | C5 | 178.5° | 179.9° |
| O2 | C4 | C5 | C6 | 37.7° | 0.0° |
| O2 | C4 | C5 | H28 | 158.4° | 120.0° |
| O2 | C4 | C5 | H29 | 83.0° | 120.0° |
| O2 | C4 | N | H31 | 174.6° | 180.0° |
| C1 | C | N | C29 | 121.3° | 120.0° |
| C1 | C | N | H32 | 117.5° | 120.0° |
| C1 | C | C29 | H32 | 116.5° | 120.0° |
| C1 | C | C29 | O11 | 78.4° | 120.0° |
| C1 | C | N | C4 | 169.0° | 155.0° |
| C1 | C | C29 | O10 | 101.4° | 60.0° |
| C1 | C | N | H31 | 11.0° | 25.0° |
| C | C1 | H33 | H34 | 119.1° | 120.0° |
| C | C1 | C2 | H35 | 176.9° | 59.9° |
| C | C1 | C2 | H36 | 62.7° | 60.0° |
| N | C | C29 | H32 | 121.6° | 120.0° |
| N | C | C29 | O11 | 159.8° | 0.0° |
| C | N | C4 | H31 | 180.0° | 180.0° |
| C | N | C4 | C5 | 173.1° | 180.0° |
| N | C | C29 | O10 | 20.5° | 180.0° |
| N | C | C1 | H33 | 178.6° | 55.0° |
| N | C | C1 | H34 | 61.9° | 175.0° |
| C | C29 | O11 | O10 | 179.8° | 180.0° |
| C29 | C | N | C4 | 69.7° | 85.0° |
| C29 | C | N | H31 | 110.3° | 95.0° |
| C29 | C | C1 | H33 | 56.1° | 65.0° |
| C29 | C | C1 | H34 | 63.3° | 55.0° |
| C | C29 | O10 | H38 | 179.8° | 180.0° |
| N2 | C12 | C13 | C26 | 173.6° | 0.3° |
| N2 | C12 | C13 | C14 | 4.8° | 180.0° |
| C12 | N2 | C11 | H18 | 2.9° | 34.9° |
| C12 | C13 | C26 | C14 | 178.6° | 179.7° |
| C12 | C13 | C26 | C25 | 179.6° | 179.7° |
| C12 | C13 | C14 | C15 | 179.3° | 179.7° |
| C12 | C13 | C26 | H13 | 0.3° | 0.3° |
| C12 | C13 | C14 | H16 | 0.7° | 0.3° |
| C13 | C12 | N2 | H17 | 14.4° | 0.1° |
| O11 | C29 | C | H32 | 38.2° | 120.0° |
| O11 | C29 | O10 | H38 | 0.0° | 0.0° |
| C13 | C26 | C25 | H13 | 180.0° | 180.0° |
| C13 | C26 | C25 | C16 | 1.4° | 0.0° |
| C26 | C13 | C14 | C15 | 0.8° | 0.0° |
| C13 | C26 | C25 | H14 | 178.7° | 180.0° |
| C26 | C13 | C14 | H16 | 179.2° | 180.0° |
| C25 | C26 | C13 | C14 | 1.8° | 0.0° |
| C26 | C25 | C16 | H14 | 180.0° | 180.0° |
| C26 | C25 | C16 | C15 | 0.1° | 0.0° |
| C26 | C25 | C16 | N3 | 178.1° | 179.9° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.1° |
| C14 | C13 | C26 | H13 | 178.2° | 180.0° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| C10 | C9 | C8 | H21 | 120.2° | 120.0° |
| C10 | C9 | C8 | H22 | 120.2° | 120.0° |
| C10 | C9 | C8 | N1 | 47.9° | 180.0° |
| C10 | C9 | C8 | O3 | 130.6° | 0.1° |
| C9 | C10 | C11 | H18 | 107.7° | 55.0° |
| C9 | C10 | H19 | H20 | 117.8° | 119.9° |
| C10 | C9 | H21 | H22 | 119.5° | 120.0° |
| C25 | C16 | N3 | C17 | 7.8° | 180.0° |
| C25 | C16 | C15 | C14 | 1.1° | 0.0° |
| C25 | C16 | C15 | N3 | 178.0° | 179.9° |
| C25 | C16 | N3 | H12 | 114.4° | 0.0° |
| C16 | C25 | C26 | H13 | 178.7° | 180.0° |
| C25 | C16 | C15 | H15 | 178.9° | 180.0° |
| N | C4 | C5 | C6 | 140.8° | 180.0° |
| N | C4 | C5 | H28 | 20.1° | 60.0° |
| N | C4 | C5 | H29 | 98.5° | 59.9° |
| C4 | N | C | H32 | 51.5° | 35.0° |
| C4 | C5 | C6 | H28 | 120.7° | 120.0° |
| C4 | C5 | C6 | H29 | 120.7° | 120.0° |
| C4 | C5 | C6 | C7 | 177.4° | 180.0° |
| C4 | C5 | C6 | H26 | 61.7° | 60.0° |
| C4 | C5 | C6 | H27 | 56.5° | 60.0° |
| C4 | C5 | H28 | H29 | 117.7° | 120.0° |
| C5 | C4 | N | H31 | 6.9° | 0.0° |
| O10 | C29 | C | H32 | 142.1° | 60.1° |
| N3 | C17 | C18 | H10 | 120.8° | 120.0° |
| N3 | C17 | C18 | H11 | 120.8° | 120.0° |
| C17 | N3 | C16 | C15 | 170.1° | 0.1° |
| C17 | N3 | C16 | H12 | 122.2° | 180.0° |
| N3 | C17 | C18 | N8 | 50.6° | 55.0° |
| N3 | C17 | C18 | C19 | 74.7° | 173.6° |
| N3 | C17 | C18 | H6 | 169.0° | 65.8° |
| N3 | C17 | H10 | H11 | 117.5° | 120.0° |
| C18 | C17 | N3 | C16 | 106.6° | 180.0° |
| C17 | C18 | N8 | C19 | 127.8° | 119.6° |
| C17 | C18 | N8 | H6 | 118.1° | 120.7° |
| C17 | C18 | C19 | H6 | 116.1° | 120.7° |
| C17 | C18 | N8 | C21 | 71.9° | 75.5° |
| C17 | C18 | C19 | N4 | 76.3° | 63.3° |
| C17 | C18 | N8 | H4 | 48.7° | 104.4° |
| C17 | C18 | C19 | H7 | 163.4° | 177.0° |
| C17 | C18 | C19 | H8 | 44.0° | 56.4° |
| C18 | C17 | H10 | H11 | 117.5° | 120.1° |
| C18 | C17 | N3 | H12 | 15.6° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | N3 | 179.1° | 180.0° |
| C15 | C16 | N3 | H12 | 67.7° | 180.0° |
| C15 | C16 | C25 | H14 | 179.9° | 179.9° |
| C16 | C15 | C14 | H16 | 179.3° | 180.0° |
| C16 | N3 | C17 | H10 | 14.2° | 60.0° |
| C16 | N3 | C17 | H11 | 132.6° | 60.0° |
| N3 | C16 | C25 | H14 | 1.9° | 0.0° |
| N3 | C16 | C15 | H15 | 0.9° | 0.1° |
| C5 | C6 | C7 | H26 | 120.9° | 120.0° |
| C5 | C6 | C7 | H27 | 120.9° | 120.0° |
| C5 | C6 | C7 | N1 | 125.4° | 65.0° |
| C5 | C6 | C7 | C28 | 1.6° | 175.0° |
| C5 | C6 | C7 | H25 | 119.6° | 55.0° |
| C5 | C6 | H26 | H27 | 117.1° | 120.0° |
| C6 | C5 | H28 | H29 | 117.7° | 120.0° |
| C9 | C8 | N1 | O3 | 178.4° | 179.9° |
| C9 | C8 | N1 | C7 | 168.9° | 179.9° |
| C8 | C9 | C10 | H19 | 47.4° | 60.0° |
| C8 | C9 | C10 | H20 | 71.2° | 60.0° |
| C8 | C9 | H21 | H22 | 119.4° | 120.0° |
| C9 | C8 | N1 | H24 | 11.1° | 0.0° |
| C6 | C7 | N1 | C8 | 95.2° | 155.0° |
| C6 | C7 | N1 | C28 | 125.9° | 120.0° |
| C6 | C7 | N1 | H25 | 114.3° | 120.0° |
| C6 | C7 | C28 | O8 | 107.4° | 120.0° |
| C6 | C7 | C28 | H25 | 118.0° | 120.0° |
| C6 | C7 | C28 | O9 | 71.7° | 60.0° |
| C6 | C7 | N1 | H24 | 84.7° | 25.0° |
| C7 | C6 | H26 | H27 | 117.1° | 120.0° |
| C7 | C6 | C5 | H28 | 56.7° | 60.0° |
| C7 | C6 | C5 | H29 | 61.9° | 60.0° |
| N8 | C18 | C19 | H6 | 114.4° | 119.7° |
| C18 | N8 | C21 | H4 | 120.6° | 179.9° |
| N8 | C18 | C19 | N4 | 53.1° | 56.3° |
| C18 | N8 | C21 | C22 | 150.4° | 164.2° |
| C18 | N8 | C21 | C20 | 30.8° | 16.1° |
| N8 | C18 | C19 | H7 | 67.2° | 63.4° |
| N8 | C18 | C19 | H8 | 173.4° | 176.1° |
| N8 | C18 | C17 | H10 | 70.2° | 65.0° |
| N8 | C18 | C17 | H11 | 171.3° | 175.0° |
| C19 | C18 | N8 | C21 | 55.9° | 44.1° |
| C18 | C19 | N4 | H7 | 120.3° | 119.7° |
| C18 | C19 | N4 | H8 | 120.3° | 119.7° |
| C18 | C19 | N4 | C20 | 27.0° | 45.7° |
| C19 | C18 | N8 | H4 | 176.5° | 135.9° |
| C18 | C19 | H7 | H8 | 119.1° | 120.5° |
| C18 | C19 | N4 | H9 | 148.7° | 134.3° |
| C19 | C18 | C17 | H10 | 164.5° | 53.6° |
| C19 | C18 | C17 | H11 | 46.0° | 66.4° |
| C8 | N1 | C7 | H24 | 180.0° | 180.0° |
| C8 | N1 | C7 | C28 | 138.9° | 85.0° |
| N1 | C8 | C9 | H21 | 72.3° | 60.0° |
| N1 | C8 | C9 | H22 | 168.1° | 60.0° |
| C8 | N1 | C7 | H25 | 19.0° | 35.0° |
| N1 | C7 | C28 | O8 | 14.3° | 0.0° |
| C7 | N1 | C8 | O3 | 9.5° | 0.0° |
| N1 | C7 | C28 | H25 | 120.4° | 120.0° |
| N1 | C7 | C28 | O9 | 166.7° | 180.0° |
| N1 | C7 | C6 | H26 | 4.5° | 55.0° |
| N1 | C7 | C6 | H27 | 113.6° | 175.0° |
| O8 | C28 | C7 | O9 | 179.1° | 180.0° |
| O8 | C28 | C7 | H25 | 134.6° | 120.0° |
| O8 | C28 | O9 | H30 | 0.0° | 0.0° |
| O3 | C8 | C9 | H21 | 109.2° | 119.9° |
| O3 | C8 | C9 | H22 | 10.4° | 120.1° |
| O3 | C8 | N1 | H24 | 170.6° | 179.9° |
| N8 | C21 | C22 | O5 | 0.1° | 0.3° |
| N8 | C21 | C22 | C20 | 178.9° | 179.8° |
| N8 | C21 | C20 | N4 | 1.2° | 0.4° |
| N8 | C21 | C22 | N5 | 178.7° | 179.7° |
| N8 | C21 | C20 | N7 | 179.4° | 179.6° |
| C21 | N8 | C18 | H6 | 170.0° | 163.8° |
| C28 | C7 | N1 | H24 | 41.1° | 95.1° |
| C28 | C7 | C6 | H26 | 122.5° | 65.0° |
| C28 | C7 | C6 | H27 | 119.4° | 55.0° |
| C7 | C28 | O9 | H30 | 179.2° | 180.0° |
| O9 | C28 | C7 | H25 | 46.3° | 60.0° |
| C19 | N4 | C20 | C21 | 0.1° | 17.3° |
| C19 | N4 | C20 | H9 | 121.8° | 180.0° |
| C19 | N4 | C20 | N7 | 179.4° | 162.7° |
| N4 | C19 | C18 | H6 | 167.6° | 176.0° |
| N4 | C19 | H7 | H8 | 119.1° | 120.6° |
| O5 | C22 | C21 | N5 | 178.6° | 180.0° |
| O5 | C22 | C21 | C20 | 178.8° | 179.9° |
| O5 | C22 | N5 | C23 | 179.2° | 180.0° |
| O5 | C22 | N5 | H39 | 0.7° | 0.1° |
| C22 | C21 | C20 | N4 | 179.9° | 179.8° |
| C22 | C21 | C20 | N7 | 0.4° | 0.2° |
| C21 | C22 | N5 | C23 | 0.6° | 0.1° |
| C22 | C21 | N8 | H4 | 29.7° | 15.7° |
| C21 | C22 | N5 | H39 | 179.4° | 179.9° |
| C21 | C20 | N4 | N7 | 179.5° | 180.0° |
| C20 | C21 | C22 | N5 | 0.2° | 0.1° |
| C21 | C20 | N7 | C23 | 0.6° | 0.1° |
| C20 | C21 | N8 | H4 | 151.4° | 164.0° |
| C21 | C20 | N4 | H9 | 121.7° | 162.7° |
| N4 | C20 | N7 | C23 | 180.0° | 179.9° |
| C20 | N4 | C19 | H7 | 93.3° | 74.0° |
| C20 | N4 | C19 | H8 | 147.3° | 165.4° |
| C22 | N5 | C23 | H39 | 180.0° | 179.9° |
| C22 | N5 | C23 | N7 | 0.4° | 0.1° |
| C22 | N5 | C23 | N6 | 179.7° | 179.9° |
| C20 | N7 | C23 | N5 | 0.2° | 0.0° |
| C20 | N7 | C23 | N6 | 179.7° | 180.0° |
| N7 | C20 | N4 | H9 | 58.9° | 17.3° |
| N5 | C23 | N7 | N6 | 179.9° | 179.9° |
| N5 | C23 | N6 | H1 | 179.9° | 180.0° |
| N5 | C23 | N6 | H2 | 0.1° | 0.0° |
| N7 | C23 | N6 | H1 | 0.0° | 0.1° |
| N7 | C23 | N6 | H2 | 180.0° | 180.0° |
| N7 | C23 | N5 | H39 | 179.5° | 179.8° |
| C23 | N6 | H1 | H2 | 180.0° | 180.0° |
| N6 | C23 | N5 | H39 | 0.4° | 0.1° |
| H4 | N8 | C18 | H6 | 69.4° | 16.3° |
| H6 | C18 | C19 | H7 | 47.2° | 56.3° |
| H6 | C18 | C19 | H8 | 72.1° | 64.3° |
| H6 | C18 | C17 | H10 | 48.2° | 174.3° |
| H6 | C18 | C17 | H11 | 70.2° | 54.3° |
| H7 | C19 | N4 | H9 | 28.4° | 106.0° |
| H8 | C19 | N4 | H9 | 91.0° | 14.6° |
| H10 | C17 | N3 | H12 | 136.4° | 120.0° |
| H11 | C17 | N3 | H12 | 105.1° | 120.0° |
| H13 | C26 | C25 | H14 | 1.3° | 0.1° |
| H15 | C15 | C14 | H16 | 0.7° | 0.0° |
| H17 | N2 | C11 | H18 | 177.2° | 145.0° |
| H18 | C11 | C10 | H19 | 131.6° | 175.0° |
| H18 | C11 | C10 | H20 | 13.0° | 65.0° |
| H19 | C10 | C9 | H21 | 167.6° | 180.0° |
| H19 | C10 | C9 | H22 | 72.7° | 60.0° |
| H20 | C10 | C9 | H21 | 49.0° | 60.0° |
| H20 | C10 | C9 | H22 | 168.7° | 180.0° |
| H24 | N1 | C7 | H25 | 161.0° | 145.0° |
| H25 | C7 | C6 | H26 | 119.5° | 175.0° |
| H25 | C7 | C6 | H27 | 1.3° | 65.0° |
| H26 | C6 | C5 | H28 | 177.6° | 180.0° |
| H26 | C6 | C5 | H29 | 59.1° | 60.0° |
| H27 | C6 | C5 | H28 | 64.3° | 59.9° |
| H27 | C6 | C5 | H29 | 177.2° | 179.9° |
| H31 | N | C | H32 | 128.6° | 145.0° |
| H32 | C | C1 | H33 | 60.5° | 175.0° |
| H32 | C | C1 | H34 | 179.9° | 65.0° |
| H33 | C1 | C2 | H35 | 56.6° | 180.0° |
| H33 | C1 | C2 | H36 | 177.0° | 60.0° |
| H34 | C1 | C2 | H35 | 62.8° | 60.1° |
| H34 | C1 | C2 | H36 | 57.6° | 180.0° |
