LOY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C13 | sing | 1.33Å | 1.37Å | Aromatic |
| N4 | C13 | sing | 1.38Å | 1.35Å | |
| C14 | N6 | sing | 1.32Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| N6 | C15 | doub | 1.33Å | 1.33Å | Aromatic |
| C12 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| C15 | N2 | sing | 1.37Å | 1.32Å | Aromatic |
| N3 | C11 | doub | 1.30Å | 1.38Å | Aromatic |
| N2 | C11 | sing | 1.36Å | 1.35Å | Aromatic |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.54Å | 1.50Å | |
| C8 | O2 | sing | 1.44Å | 1.42Å | |
| C9 | O3 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| C2 | C1 | sing | 1.55Å | 1.54Å | |
| C2 | C27 | sing | 1.55Å | 1.52Å | |
| C1 | C3 | sing | 1.54Å | 1.53Å | |
| C27 | N | sing | 1.48Å | 1.47Å | |
| O2 | C7 | sing | 1.44Å | 1.41Å | |
| C10 | O4 | sing | 1.43Å | 1.42Å | |
| C10 | C7 | sing | 1.54Å | 1.51Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C3 | N | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | sing | 1.47Å | 1.43Å | |
| S1 | C4 | sing | 1.81Å | 1.76Å | |
| S1 | C16 | sing | 1.81Å | 1.78Å | |
| C23 | C26 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C26 | O8 | sing | 1.45Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| N1 | S | sing | 1.66Å | 1.59Å | |
| C17 | N7 | sing | 1.46Å | 1.43Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| O5 | C18 | doub | 1.21Å | 1.20Å | |
| C5 | S | sing | 1.81Å | 1.69Å | |
| C18 | N7 | sing | 1.35Å | 1.33Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| O9 | P | doub | 1.72Å | 1.48Å | |
| N8 | C20 | sing | 1.46Å | 1.45Å | |
| N8 | C21 | sing | 1.35Å | 1.33Å | |
| O7 | C22 | sing | 1.43Å | 1.41Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | O6 | doub | 1.21Å | 1.21Å | |
| O8 | P | sing | 1.57Å | 1.61Å | |
| P | O10 | doub | 1.72Å | 1.51Å | |
| S | O | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| N7 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å | |
| N8 | H29 | sing | 0.97Å | 1.00Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| O4 | H40 | sing | 0.97Å | 0.95Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.08Å | 1.08Å | |
| C14 | H43 | sing | 1.08Å | 1.08Å | |
| N4 | H44 | sing | 0.97Å | 1.00Å | |
| N4 | H45 | sing | 0.97Å | 1.00Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N5 | C13 | 118.1° | 121.2° |
| N5 | C14 | N6 | 124.1° | 122.5° |
| N5 | C14 | H43 | 118.0° | 118.8° |
| N5 | C13 | N4 | 121.6° | 120.8° |
| N5 | C13 | C12 | 119.6° | 118.4° |
| N4 | C13 | C12 | 118.8° | 120.8° |
| C13 | N4 | H44 | 109.5° | 120.0° |
| C13 | N4 | H45 | 109.5° | 120.0° |
| C14 | N6 | C15 | 118.6° | 120.6° |
| N6 | C14 | H43 | 117.9° | 118.7° |
| C13 | C12 | C15 | 119.8° | 118.2° |
| C13 | C12 | N3 | 132.7° | 134.7° |
| N6 | C15 | C12 | 119.8° | 119.1° |
| N6 | C15 | N2 | 131.6° | 134.9° |
| C15 | C12 | N3 | 107.5° | 107.1° |
| C12 | C15 | N2 | 108.5° | 106.0° |
| C12 | N3 | C11 | 106.4° | 109.4° |
| C15 | N2 | C11 | 107.8° | 107.5° |
| C15 | N2 | C8 | 124.5° | 126.3° |
| N3 | C11 | N2 | 109.8° | 110.0° |
| N3 | C11 | H42 | 125.1° | 125.0° |
| C11 | N2 | C8 | 127.7° | 126.3° |
| N2 | C11 | H42 | 125.1° | 125.0° |
| N2 | C8 | C9 | 112.9° | 110.4° |
| N2 | C8 | O2 | 106.3° | 110.4° |
| N2 | C8 | H16 | 110.2° | 110.4° |
| C9 | C8 | O2 | 106.7° | 104.8° |
| C8 | C9 | O3 | 110.3° | 110.5° |
| C8 | C9 | C10 | 103.0° | 104.1° |
| C9 | C8 | H16 | 109.8° | 110.5° |
| C8 | C9 | H41 | 110.7° | 110.5° |
| C8 | O2 | C7 | 110.6° | 105.3° |
| O2 | C8 | H16 | 110.8° | 110.3° |
| O3 | C9 | C10 | 110.3° | 110.5° |
| C9 | O3 | H9 | 109.5° | 114.0° |
| O3 | C9 | H41 | 111.9° | 110.5° |
| C9 | C10 | O4 | 114.9° | 110.5° |
| C9 | C10 | C7 | 101.7° | 104.1° |
| C9 | C10 | H39 | 108.8° | 110.7° |
| C10 | C9 | H41 | 110.4° | 110.6° |
| C1 | C2 | C27 | 105.6° | 101.6° |
| C2 | C1 | C3 | 105.2° | 103.0° |
| C2 | C1 | H3 | 110.5° | 110.7° |
| C2 | C1 | H4 | 110.5° | 110.8° |
| C1 | C2 | H6 | 110.4° | 111.0° |
| C1 | C2 | H7 | 110.4° | 111.0° |
| C2 | C27 | N | 105.4° | 104.8° |
| C27 | C2 | H6 | 110.4° | 111.0° |
| C27 | C2 | H7 | 110.5° | 111.0° |
| C2 | C27 | H46 | 110.5° | 110.4° |
| C2 | C27 | H47 | 110.5° | 110.4° |
| C1 | C3 | N | 103.4° | 107.2° |
| C1 | C3 | C4 | 123.5° | 109.9° |
| C3 | C1 | H3 | 110.5° | 110.7° |
| C3 | C1 | H4 | 110.5° | 110.7° |
| C1 | C3 | H8 | 104.2° | 109.9° |
| C27 | N | C3 | 108.2° | 108.6° |
| C27 | N | H1 | 109.8° | 111.0° |
| N | C27 | H46 | 110.5° | 110.3° |
| N | C27 | H47 | 110.5° | 110.4° |
| O2 | C7 | C10 | 105.0° | 104.8° |
| O2 | C7 | C6 | 110.4° | 110.4° |
| O2 | C7 | H38 | 111.6° | 110.3° |
| O4 | C10 | C7 | 111.7° | 110.5° |
| O4 | C10 | H39 | 110.2° | 110.5° |
| C10 | O4 | H40 | 109.5° | 114.0° |
| C10 | C7 | C6 | 109.6° | 110.4° |
| C10 | C7 | H38 | 110.0° | 110.5° |
| C7 | C10 | H39 | 109.1° | 110.5° |
| C25 | C23 | C26 | 105.7° | 109.5° |
| C25 | C23 | C24 | 112.8° | 109.5° |
| C25 | C23 | C22 | 112.8° | 109.5° |
| C23 | C25 | H24 | 109.5° | 109.5° |
| C23 | C25 | H25 | 109.5° | 109.5° |
| C23 | C25 | H26 | 109.5° | 109.5° |
| C7 | C6 | N1 | 112.7° | 109.5° |
| C7 | C6 | H13 | 108.7° | 109.5° |
| C7 | C6 | H14 | 108.6° | 109.5° |
| C6 | C7 | H38 | 110.2° | 110.3° |
| N | C3 | C4 | 114.6° | 109.8° |
| C3 | N | H1 | 109.8° | 111.0° |
| N | C3 | H8 | 105.1° | 109.9° |
| C3 | C4 | S1 | 110.5° | 109.4° |
| C3 | C4 | C5 | 104.1° | 109.5° |
| C4 | C3 | H8 | 104.3° | 110.0° |
| C3 | C4 | H10 | 109.6° | 109.5° |
| C6 | N1 | S | 115.6° | 120.0° |
| C6 | N1 | H5 | 107.9° | 120.0° |
| N1 | C6 | H13 | 108.6° | 109.5° |
| N1 | C6 | H14 | 108.7° | 109.5° |
| C4 | S1 | C16 | 99.3° | 103.0° |
| S1 | C4 | C5 | 116.5° | 109.5° |
| S1 | C4 | H10 | 106.8° | 109.4° |
| S1 | C16 | C17 | 108.3° | 109.5° |
| S1 | C16 | H36 | 109.8° | 109.5° |
| S1 | C16 | H37 | 109.8° | 109.5° |
| C26 | C23 | C24 | 109.9° | 109.5° |
| C26 | C23 | C22 | 107.1° | 109.5° |
| C23 | C26 | O8 | 111.3° | 109.4° |
| C23 | C26 | H19 | 109.0° | 109.4° |
| C23 | C26 | H20 | 109.0° | 109.5° |
| C24 | C23 | C22 | 108.4° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C23 | C24 | H22 | 109.5° | 109.5° |
| C23 | C24 | H23 | 109.5° | 109.5° |
| C23 | C22 | O7 | 103.2° | 109.5° |
| C23 | C22 | C21 | 113.9° | 109.5° |
| C23 | C22 | H27 | 108.7° | 109.5° |
| C26 | O8 | P | 112.8° | 117.0° |
| O8 | C26 | H19 | 109.0° | 109.5° |
| O8 | C26 | H20 | 109.0° | 109.5° |
| C4 | C5 | S | 128.6° | 109.5° |
| C5 | C4 | H10 | 109.2° | 109.5° |
| C4 | C5 | H11 | 104.5° | 109.5° |
| C4 | C5 | H12 | 104.5° | 109.5° |
| N1 | S | C5 | 105.5° | 104.4° |
| N1 | S | O | 106.7° | 104.3° |
| N1 | S | O1 | 113.9° | 104.3° |
| S | N1 | H5 | 107.9° | 120.0° |
| N7 | C17 | C16 | 112.6° | 109.5° |
| C17 | N7 | C18 | 122.8° | 120.0° |
| C17 | N7 | H15 | 118.6° | 120.0° |
| N7 | C17 | H34 | 108.7° | 109.5° |
| N7 | C17 | H35 | 108.7° | 109.5° |
| C16 | C17 | H34 | 108.7° | 109.4° |
| C16 | C17 | H35 | 108.7° | 109.5° |
| C17 | C16 | H36 | 109.8° | 109.5° |
| C17 | C16 | H37 | 109.8° | 109.5° |
| O5 | C18 | N7 | 123.7° | 120.0° |
| O5 | C18 | C19 | 118.5° | 120.0° |
| C5 | S | O | 118.6° | 110.6° |
| C5 | S | O1 | 103.4° | 110.5° |
| S | C5 | H11 | 104.5° | 109.5° |
| S | C5 | H12 | 104.5° | 109.5° |
| N7 | C18 | C19 | 117.8° | 120.0° |
| C18 | N7 | H15 | 118.6° | 120.0° |
| C18 | C19 | C20 | 110.8° | 109.5° |
| C18 | C19 | H32 | 109.1° | 109.5° |
| C18 | C19 | H33 | 109.1° | 109.5° |
| C19 | C20 | N8 | 112.4° | 109.5° |
| C19 | C20 | H30 | 108.7° | 109.5° |
| C19 | C20 | H31 | 108.7° | 109.5° |
| C20 | C19 | H32 | 109.2° | 109.5° |
| C20 | C19 | H33 | 109.1° | 109.4° |
| O9 | P | O8 | 103.4° | 120.0° |
| O9 | P | O10 | 115.3° | 120.0° |
| C20 | N8 | C21 | 120.8° | 120.0° |
| C20 | N8 | H29 | 119.6° | 120.1° |
| N8 | C20 | H30 | 108.7° | 109.5° |
| N8 | C20 | H31 | 108.7° | 109.4° |
| N8 | C21 | C22 | 119.9° | 120.0° |
| N8 | C21 | O6 | 120.8° | 120.0° |
| C21 | N8 | H29 | 119.6° | 120.0° |
| O7 | C22 | C21 | 111.6° | 109.5° |
| O7 | C22 | H27 | 110.2° | 109.5° |
| C22 | O7 | H28 | 109.5° | 114.0° |
| C22 | C21 | O6 | 119.2° | 120.0° |
| C21 | C22 | H27 | 108.9° | 109.5° |
| O8 | P | O10 | 109.0° | 120.0° |
| O | S | O1 | 108.9° | 121.0° |
| H3 | C1 | H4 | 109.5° | 110.6° |
| H6 | C2 | H7 | 109.5° | 111.0° |
| H11 | C5 | H12 | 109.4° | 109.4° |
| H13 | C6 | H14 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H26 | 109.4° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H34 | C17 | H35 | 109.4° | 109.5° |
| H36 | C16 | H37 | 109.5° | 109.4° |
| H44 | N4 | H45 | 109.5° | 120.0° |
| H46 | C27 | H47 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N5 | C13 | N4 | 178.8° | 180.0° |
| N5 | C14 | N6 | H43 | 180.0° | 180.0° |
| C14 | N5 | C13 | C12 | 0.6° | 0.0° |
| N5 | C14 | N6 | C15 | 2.1° | 0.0° |
| N5 | C13 | N4 | C12 | 179.4° | 180.0° |
| C13 | N5 | C14 | N6 | 1.4° | 0.0° |
| N5 | C13 | C12 | C15 | 0.6° | 0.0° |
| N5 | C13 | C12 | N3 | 179.1° | 180.0° |
| C13 | N5 | C14 | H43 | 178.6° | 180.0° |
| N5 | C13 | N4 | H44 | 0.0° | 0.1° |
| N5 | C13 | N4 | H45 | 120.0° | 180.0° |
| N4 | C13 | C12 | C15 | 178.9° | 180.0° |
| N4 | C13 | C12 | N3 | 1.5° | 0.0° |
| C13 | N4 | H44 | H45 | 120.0° | 180.0° |
| C14 | N6 | C15 | C12 | 2.0° | 0.0° |
| C14 | N6 | C15 | N2 | 178.2° | 180.0° |
| C13 | C12 | C15 | N6 | 1.3° | 0.0° |
| C13 | C12 | C15 | N3 | 179.7° | 180.0° |
| C13 | C12 | C15 | N2 | 178.3° | 180.0° |
| C13 | C12 | N3 | C11 | 178.4° | 180.0° |
| C12 | C13 | N4 | H44 | 179.5° | 180.0° |
| C12 | C13 | N4 | H45 | 59.4° | 0.0° |
| N6 | C15 | C12 | N2 | 176.9° | 180.0° |
| N6 | C15 | C12 | N3 | 178.4° | 180.0° |
| N6 | C15 | N2 | C11 | 177.5° | 180.0° |
| N6 | C15 | N2 | C8 | 4.7° | 0.2° |
| C15 | N6 | C14 | H43 | 177.8° | 179.9° |
| C15 | C12 | N3 | C11 | 1.3° | 0.0° |
| C12 | C15 | N2 | C11 | 1.0° | 0.0° |
| C12 | C15 | N2 | C8 | 178.9° | 179.7° |
| N3 | C12 | C15 | N2 | 1.5° | 0.0° |
| C12 | N3 | C11 | N2 | 0.7° | 0.0° |
| C12 | N3 | C11 | H42 | 179.3° | 179.7° |
| C15 | N2 | C11 | N3 | 0.2° | 0.0° |
| C15 | N2 | C11 | C8 | 177.8° | 179.8° |
| C15 | N2 | C8 | C9 | 98.0° | 85.3° |
| C15 | N2 | C8 | O2 | 145.3° | 159.3° |
| C15 | N2 | C8 | H16 | 25.1° | 37.1° |
| C15 | N2 | C11 | H42 | 179.8° | 179.7° |
| N3 | C11 | N2 | H42 | 180.0° | 179.7° |
| N3 | C11 | N2 | C8 | 178.0° | 179.7° |
| C11 | N2 | C8 | C9 | 84.5° | 95.0° |
| C11 | N2 | C8 | O2 | 32.1° | 20.4° |
| C11 | N2 | C8 | H16 | 152.3° | 142.6° |
| N2 | C8 | C9 | O2 | 116.4° | 118.9° |
| N2 | C8 | C9 | H16 | 123.4° | 122.3° |
| N2 | C8 | O2 | H16 | 119.8° | 122.2° |
| N2 | C8 | C9 | O3 | 146.4° | 98.5° |
| N2 | C8 | C9 | C10 | 95.9° | 142.8° |
| N2 | C8 | O2 | C7 | 122.2° | 159.3° |
| N2 | C8 | C9 | H41 | 22.1° | 24.1° |
| C8 | N2 | C11 | H42 | 2.0° | 0.0° |
| C9 | C8 | O2 | H16 | 119.5° | 118.9° |
| C8 | C9 | O3 | C10 | 113.1° | 114.7° |
| C8 | C9 | O3 | H41 | 123.7° | 122.6° |
| C8 | C9 | C10 | H41 | 118.2° | 118.7° |
| C9 | C8 | O2 | C7 | 1.4° | 40.4° |
| C8 | C9 | C10 | O4 | 154.1° | 118.6° |
| C8 | C9 | C10 | C7 | 33.2° | 0.0° |
| C8 | C9 | O3 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H39 | 81.8° | 118.7° |
| O2 | C8 | C9 | O3 | 97.1° | 142.6° |
| O2 | C8 | C9 | C10 | 20.6° | 23.9° |
| C8 | O2 | C7 | C10 | 23.3° | 40.4° |
| C8 | O2 | C7 | C6 | 141.3° | 159.3° |
| C8 | O2 | C7 | H38 | 95.9° | 78.5° |
| O2 | C8 | C9 | H41 | 138.5° | 94.8° |
| O3 | C9 | C10 | H41 | 124.1° | 122.7° |
| O3 | C9 | C10 | O4 | 36.4° | 0.0° |
| O3 | C9 | C10 | C7 | 84.5° | 118.7° |
| O3 | C9 | C8 | H16 | 23.0° | 23.8° |
| O3 | C9 | C10 | H39 | 160.5° | 122.6° |
| C9 | C10 | C7 | O2 | 34.8° | 24.0° |
| C9 | C10 | O4 | C7 | 115.2° | 114.7° |
| C9 | C10 | O4 | H39 | 123.4° | 122.8° |
| C9 | C10 | C7 | H39 | 114.9° | 118.8° |
| C9 | C10 | C7 | C6 | 153.4° | 142.8° |
| C10 | C9 | O3 | H9 | 66.8° | 65.4° |
| C10 | C9 | C8 | H16 | 140.7° | 94.9° |
| C9 | C10 | C7 | H38 | 85.3° | 94.9° |
| C9 | C10 | O4 | H40 | 180.0° | 65.4° |
| C1 | C2 | C27 | H6 | 119.4° | 118.1° |
| C1 | C2 | C27 | H7 | 119.4° | 118.1° |
| C2 | C1 | C3 | H3 | 119.4° | 118.4° |
| C2 | C1 | C3 | H4 | 119.3° | 118.5° |
| C1 | C2 | C27 | N | 8.8° | 37.1° |
| C2 | C1 | C3 | N | 29.2° | 22.3° |
| C2 | C1 | C3 | C4 | 161.3° | 141.7° |
| C2 | C1 | H3 | H4 | 122.0° | 123.3° |
| C1 | C2 | H6 | H7 | 121.8° | 123.9° |
| C2 | C1 | C3 | H8 | 80.5° | 97.1° |
| C1 | C2 | C27 | H46 | 110.5° | 81.7° |
| C1 | C2 | C27 | H47 | 128.2° | 155.9° |
| C27 | C2 | C1 | C3 | 12.3° | 35.7° |
| C2 | C27 | N | H46 | 119.4° | 118.8° |
| C2 | C27 | N | H47 | 119.4° | 118.8° |
| C2 | C27 | N | C3 | 28.5° | 24.1° |
| C2 | C27 | N | H1 | 148.4° | 98.1° |
| C27 | C2 | C1 | H3 | 107.0° | 82.7° |
| C27 | C2 | C1 | H4 | 131.6° | 154.1° |
| C27 | C2 | H6 | H7 | 121.8° | 123.9° |
| C2 | C27 | H46 | H47 | 121.9° | 122.4° |
| C1 | C3 | N | C27 | 36.1° | 0.9° |
| C1 | C3 | N | C4 | 137.1° | 119.4° |
| C1 | C3 | N | H8 | 109.0° | 119.4° |
| C1 | C3 | C4 | H8 | 118.2° | 121.2° |
| C1 | C3 | C4 | S1 | 12.7° | 60.3° |
| C1 | C3 | C4 | C5 | 138.5° | 179.7° |
| C1 | C3 | N | H1 | 155.9° | 121.3° |
| C3 | C1 | H3 | H4 | 121.9° | 123.1° |
| C3 | C1 | C2 | H6 | 107.0° | 82.4° |
| C3 | C1 | C2 | H7 | 131.7° | 153.8° |
| C1 | C3 | C4 | H10 | 104.8° | 59.6° |
| C27 | N | C3 | H1 | 119.8° | 122.2° |
| C27 | N | C3 | C4 | 173.2° | 118.5° |
| N | C27 | C2 | H6 | 128.2° | 81.0° |
| N | C27 | C2 | H7 | 110.6° | 155.1° |
| C27 | N | C3 | H8 | 72.9° | 120.4° |
| N | C27 | H46 | H47 | 121.9° | 122.3° |
| O2 | C7 | C10 | O4 | 157.9° | 142.6° |
| O2 | C7 | C10 | C6 | 118.6° | 118.9° |
| O2 | C7 | C10 | H38 | 120.2° | 118.8° |
| O2 | C7 | C6 | H38 | 123.7° | 122.2° |
| O2 | C7 | C6 | N1 | 56.4° | 66.4° |
| O2 | C7 | C6 | H13 | 176.9° | 53.6° |
| O2 | C7 | C6 | H14 | 64.1° | 173.6° |
| C7 | O2 | C8 | H16 | 118.0° | 78.5° |
| O2 | C7 | C10 | H39 | 80.0° | 94.9° |
| O4 | C10 | C7 | H39 | 122.1° | 122.5° |
| O4 | C10 | C7 | C6 | 83.5° | 98.5° |
| O4 | C10 | C7 | H38 | 37.7° | 23.8° |
| O4 | C10 | C9 | H41 | 87.7° | 122.7° |
| C10 | C7 | C6 | H38 | 121.2° | 122.4° |
| C10 | C7 | C6 | N1 | 171.6° | 178.2° |
| C10 | C7 | C6 | H13 | 67.9° | 61.8° |
| C10 | C7 | C6 | H14 | 51.1° | 58.2° |
| C7 | C10 | O4 | H40 | 64.8° | 179.9° |
| C7 | C10 | C9 | H41 | 151.5° | 118.7° |
| C25 | C23 | C26 | C24 | 121.9° | 120.0° |
| C25 | C23 | C26 | C22 | 120.5° | 120.0° |
| C25 | C23 | C24 | C22 | 125.6° | 120.0° |
| C25 | C23 | C26 | O8 | 168.9° | 60.0° |
| C25 | C23 | C22 | O7 | 66.3° | 54.8° |
| C25 | C23 | C22 | C21 | 54.9° | 174.8° |
| C25 | C23 | C26 | H19 | 70.8° | 60.0° |
| C25 | C23 | C26 | H20 | 48.6° | 180.0° |
| C25 | C23 | C24 | H21 | 180.0° | 54.4° |
| C25 | C23 | C24 | H22 | 60.0° | 65.7° |
| C25 | C23 | C24 | H23 | 60.0° | 174.4° |
| C23 | C25 | H24 | H25 | 120.0° | 120.1° |
| C23 | C25 | H24 | H26 | 120.0° | 120.0° |
| C23 | C25 | H25 | H26 | 120.0° | 120.0° |
| C25 | C23 | C22 | H27 | 176.6° | 65.2° |
| C7 | C6 | N1 | H13 | 120.5° | 120.0° |
| C7 | C6 | N1 | H14 | 120.5° | 120.0° |
| C7 | C6 | N1 | S | 167.8° | 165.0° |
| C7 | C6 | N1 | H5 | 71.3° | 15.0° |
| C7 | C6 | H13 | H14 | 118.5° | 120.0° |
| C6 | C7 | C10 | H39 | 38.6° | 24.0° |
| N | C3 | C4 | H8 | 114.3° | 121.1° |
| N | C3 | C4 | S1 | 140.1° | 178.1° |
| N | C3 | C4 | C5 | 94.1° | 61.9° |
| N | C3 | C1 | H3 | 90.2° | 96.1° |
| N | C3 | C1 | H4 | 148.5° | 140.8° |
| N | C3 | C4 | H10 | 22.7° | 58.1° |
| C3 | N | C27 | H46 | 90.8° | 94.8° |
| C3 | N | C27 | H47 | 147.9° | 142.9° |
| C3 | C4 | S1 | C5 | 118.5° | 120.0° |
| C3 | C4 | S1 | H10 | 119.2° | 120.0° |
| C3 | C4 | S1 | C16 | 139.6° | 64.8° |
| C3 | C4 | C5 | H10 | 117.0° | 120.1° |
| C3 | C4 | C5 | S | 141.7° | 180.0° |
| C4 | C3 | N | H1 | 67.0° | 119.3° |
| C4 | C3 | C1 | H3 | 42.0° | 23.2° |
| C4 | C3 | C1 | H4 | 79.4° | 99.8° |
| C3 | C4 | C5 | H11 | 19.2° | 60.0° |
| C3 | C4 | C5 | H12 | 95.8° | 59.9° |
| C6 | N1 | S | H5 | 120.9° | 180.0° |
| C6 | N1 | S | C5 | 67.6° | 65.0° |
| C6 | N1 | S | O | 165.4° | 178.9° |
| C6 | N1 | S | O1 | 45.1° | 51.0° |
| N1 | C6 | H13 | H14 | 118.6° | 120.0° |
| N1 | C6 | C7 | H38 | 67.2° | 55.8° |
| S1 | C4 | C5 | H10 | 121.1° | 120.0° |
| C4 | S1 | C16 | C17 | 138.3° | 175.0° |
| S1 | C4 | C5 | S | 19.8° | 60.0° |
| S1 | C4 | C3 | H8 | 105.5° | 60.8° |
| S1 | C4 | C5 | H11 | 102.7° | 180.0° |
| S1 | C4 | C5 | H12 | 142.3° | 60.0° |
| C4 | S1 | C16 | H36 | 101.9° | 65.0° |
| C4 | S1 | C16 | H37 | 18.5° | 54.9° |
| C16 | S1 | C4 | C5 | 101.9° | 55.2° |
| S1 | C16 | C17 | N7 | 98.2° | 180.0° |
| S1 | C16 | C17 | H36 | 119.8° | 120.0° |
| S1 | C16 | C17 | H37 | 119.8° | 120.1° |
| C16 | S1 | C4 | H10 | 20.4° | 175.2° |
| S1 | C16 | C17 | H34 | 22.3° | 60.0° |
| S1 | C16 | C17 | H35 | 141.4° | 60.0° |
| S1 | C16 | H36 | H37 | 120.5° | 120.0° |
| C26 | C23 | C24 | C22 | 116.8° | 120.0° |
| C23 | C26 | O8 | H19 | 120.3° | 119.9° |
| C23 | C26 | O8 | H20 | 120.3° | 120.0° |
| C26 | C23 | C22 | O7 | 49.5° | 65.3° |
| C26 | C23 | C22 | C21 | 170.8° | 54.7° |
| C23 | C26 | O8 | P | 177.1° | 180.0° |
| C23 | C26 | H19 | H20 | 119.2° | 120.0° |
| C26 | C23 | C24 | H21 | 62.4° | 65.6° |
| C26 | C23 | C24 | H22 | 177.6° | 174.3° |
| C26 | C23 | C24 | H23 | 57.6° | 54.3° |
| C26 | C23 | C25 | H24 | 180.0° | 64.8° |
| C26 | C23 | C25 | H25 | 60.0° | 175.1° |
| C26 | C23 | C25 | H26 | 60.0° | 55.1° |
| C26 | C23 | C22 | H27 | 67.5° | 174.7° |
| C24 | C23 | C26 | O8 | 69.2° | 60.0° |
| C24 | C23 | C22 | O7 | 168.1° | 174.7° |
| C24 | C23 | C22 | C21 | 70.7° | 65.3° |
| C24 | C23 | C26 | H19 | 51.1° | 180.0° |
| C24 | C23 | C26 | H20 | 170.5° | 60.0° |
| C23 | C24 | H21 | H22 | 120.0° | 120.0° |
| C23 | C24 | H21 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H23 | 120.0° | 120.0° |
| C24 | C23 | C25 | H24 | 59.9° | 175.2° |
| C24 | C23 | C25 | H25 | 179.9° | 55.1° |
| C24 | C23 | C25 | H26 | 60.1° | 64.9° |
| C24 | C23 | C22 | H27 | 51.0° | 54.7° |
| C22 | C23 | C26 | O8 | 48.4° | 180.0° |
| C23 | C22 | C21 | N8 | 100.1° | 70.4° |
| C23 | C22 | O7 | C21 | 122.8° | 120.0° |
| C23 | C22 | O7 | H27 | 116.0° | 120.0° |
| C23 | C22 | C21 | H27 | 121.6° | 120.0° |
| C23 | C22 | C21 | O6 | 80.4° | 109.5° |
| C22 | C23 | C26 | H19 | 168.7° | 60.0° |
| C22 | C23 | C26 | H20 | 71.9° | 60.0° |
| C22 | C23 | C24 | H21 | 54.4° | 174.4° |
| C22 | C23 | C24 | H22 | 65.6° | 54.3° |
| C22 | C23 | C24 | H23 | 174.4° | 65.6° |
| C22 | C23 | C25 | H24 | 63.3° | 55.2° |
| C22 | C23 | C25 | H25 | 56.7° | 64.9° |
| C22 | C23 | C25 | H26 | 176.7° | 175.1° |
| C23 | C22 | O7 | H28 | 180.0° | 60.0° |
| C26 | O8 | P | O9 | 57.1° | 120.0° |
| C26 | O8 | P | O10 | 179.8° | 60.0° |
| O8 | C26 | H19 | H20 | 119.1° | 120.0° |
| C4 | C5 | S | N1 | 85.5° | 180.0° |
| C4 | C5 | S | H11 | 122.5° | 120.0° |
| C4 | C5 | S | H12 | 122.5° | 120.1° |
| C4 | C5 | S | O | 33.9° | 68.4° |
| C4 | C5 | S | O1 | 154.5° | 68.3° |
| C5 | C4 | C3 | H8 | 20.3° | 59.1° |
| C4 | C5 | H11 | H12 | 111.5° | 120.0° |
| N1 | S | C5 | O | 119.4° | 111.6° |
| N1 | S | C5 | O1 | 119.9° | 111.6° |
| N1 | S | O | O1 | 123.4° | 116.8° |
| N1 | S | C5 | H11 | 37.0° | 60.0° |
| N1 | S | C5 | H12 | 151.9° | 60.0° |
| S | N1 | C6 | H13 | 47.3° | 75.0° |
| S | N1 | C6 | H14 | 71.8° | 45.0° |
| N7 | C17 | C16 | H34 | 120.5° | 120.0° |
| N7 | C17 | C16 | H35 | 120.5° | 120.0° |
| C17 | N7 | C18 | O5 | 3.8° | 0.1° |
| C17 | N7 | C18 | H15 | 180.0° | 179.9° |
| C17 | N7 | C18 | C19 | 175.9° | 180.0° |
| N7 | C17 | H34 | H35 | 118.5° | 120.0° |
| N7 | C17 | C16 | H36 | 21.7° | 60.0° |
| N7 | C17 | C16 | H37 | 142.0° | 59.9° |
| C16 | C17 | N7 | C18 | 161.8° | 180.0° |
| C16 | C17 | N7 | H15 | 18.2° | 0.0° |
| C16 | C17 | H34 | H35 | 118.6° | 120.0° |
| C17 | C16 | H36 | H37 | 120.5° | 120.0° |
| O5 | C18 | N7 | C19 | 179.6° | 179.9° |
| O5 | C18 | C19 | C20 | 11.1° | 0.0° |
| O5 | C18 | N7 | H15 | 176.2° | 180.0° |
| O5 | C18 | C19 | H32 | 109.1° | 120.0° |
| O5 | C18 | C19 | H33 | 131.3° | 120.0° |
| C5 | S | O | O1 | 117.7° | 131.5° |
| C5 | S | N1 | H5 | 53.3° | 115.0° |
| S | C5 | C4 | H10 | 101.3° | 60.0° |
| S | C5 | H11 | H12 | 111.4° | 120.0° |
| N7 | C18 | C19 | C20 | 169.3° | 180.0° |
| N7 | C18 | C19 | H32 | 70.5° | 60.0° |
| N7 | C18 | C19 | H33 | 49.1° | 60.1° |
| C18 | N7 | C17 | H34 | 77.7° | 60.0° |
| C18 | N7 | C17 | H35 | 41.3° | 60.0° |
| C18 | C19 | C20 | H32 | 120.2° | 120.0° |
| C18 | C19 | C20 | H33 | 120.2° | 120.0° |
| C18 | C19 | C20 | N8 | 171.2° | 180.0° |
| C19 | C18 | N7 | H15 | 4.1° | 0.1° |
| C18 | C19 | C20 | H30 | 68.3° | 60.0° |
| C18 | C19 | C20 | H31 | 50.8° | 60.1° |
| C18 | C19 | H32 | H33 | 119.4° | 120.0° |
| C19 | C20 | N8 | H30 | 120.4° | 120.0° |
| C19 | C20 | N8 | H31 | 120.4° | 120.0° |
| C19 | C20 | N8 | C21 | 170.2° | 180.0° |
| C19 | C20 | N8 | H29 | 9.8° | 0.0° |
| C19 | C20 | H30 | H31 | 118.6° | 120.0° |
| C20 | C19 | H32 | H33 | 119.4° | 120.0° |
| O9 | P | O8 | O10 | 123.1° | 180.0° |
| C20 | N8 | C21 | H29 | 180.0° | 180.0° |
| C20 | N8 | C21 | C22 | 176.4° | 174.5° |
| C20 | N8 | C21 | O6 | 3.1° | 5.4° |
| N8 | C20 | H30 | H31 | 118.7° | 120.0° |
| N8 | C20 | C19 | H32 | 51.1° | 60.0° |
| N8 | C20 | C19 | H33 | 68.6° | 60.0° |
| N8 | C21 | C22 | O7 | 16.4° | 169.6° |
| N8 | C21 | C22 | O6 | 179.5° | 180.0° |
| N8 | C21 | C22 | H27 | 138.3° | 49.6° |
| C21 | N8 | C20 | H30 | 49.7° | 60.0° |
| C21 | N8 | C20 | H31 | 69.4° | 60.0° |
| O7 | C22 | C21 | H27 | 122.0° | 120.0° |
| O7 | C22 | C21 | O6 | 163.1° | 10.4° |
| C21 | C22 | O7 | H28 | 57.2° | 60.0° |
| C22 | C21 | N8 | H29 | 3.6° | 5.5° |
| O6 | C21 | C22 | H27 | 41.2° | 130.4° |
| O6 | C21 | N8 | H29 | 176.9° | 174.6° |
| P | O8 | C26 | H19 | 56.9° | 60.0° |
| P | O8 | C26 | H20 | 62.5° | 60.0° |
| O | S | N1 | H5 | 73.7° | 1.0° |
| O | S | C5 | H11 | 156.4° | 171.6° |
| O | S | C5 | H12 | 88.6° | 51.6° |
| O1 | S | N1 | H5 | 166.0° | 128.9° |
| O1 | S | C5 | H11 | 83.0° | 51.6° |
| O1 | S | C5 | H12 | 32.0° | 171.6° |
| H1 | N | C3 | H8 | 46.9° | 1.9° |
| H1 | N | C27 | H46 | 29.0° | 143.0° |
| H1 | N | C27 | H47 | 92.2° | 20.7° |
| H3 | C1 | C2 | H6 | 133.6° | 159.2° |
| H3 | C1 | C2 | H7 | 12.4° | 35.3° |
| H3 | C1 | C3 | H8 | 160.2° | 144.5° |
| H4 | C1 | C2 | H6 | 12.3° | 36.0° |
| H4 | C1 | C2 | H7 | 109.0° | 87.9° |
| H4 | C1 | C3 | H8 | 38.9° | 21.4° |
| H5 | N1 | C6 | H13 | 168.2° | 105.0° |
| H5 | N1 | C6 | H14 | 49.2° | 135.0° |
| H6 | C2 | C27 | H46 | 8.8° | 160.2° |
| H6 | C2 | C27 | H47 | 112.5° | 37.8° |
| H7 | C2 | C27 | H46 | 130.1° | 36.4° |
| H7 | C2 | C27 | H47 | 8.8° | 86.1° |
| H8 | C3 | C4 | H10 | 137.0° | 179.2° |
| H9 | O3 | C9 | H41 | 56.4° | 57.4° |
| H10 | C4 | C5 | H11 | 136.2° | 60.0° |
| H10 | C4 | C5 | H12 | 21.2° | 180.0° |
| H13 | C6 | C7 | H38 | 53.2° | 175.8° |
| H14 | C6 | C7 | H38 | 172.3° | 64.2° |
| H15 | N7 | C17 | H34 | 102.3° | 120.0° |
| H15 | N7 | C17 | H35 | 138.7° | 120.1° |
| H16 | C8 | C9 | H41 | 101.3° | 146.4° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
| H24 | C25 | H25 | H26 | 119.9° | 119.9° |
| H27 | C22 | O7 | H28 | 64.0° | 180.0° |
| H29 | N8 | C20 | H30 | 130.3° | 120.0° |
| H29 | N8 | C20 | H31 | 110.6° | 120.0° |
| H30 | C20 | C19 | H32 | 171.5° | 180.0° |
| H30 | C20 | C19 | H33 | 51.9° | 60.0° |
| H31 | C20 | C19 | H32 | 69.4° | 59.9° |
| H31 | C20 | C19 | H33 | 171.0° | 180.0° |
| H34 | C17 | C16 | H36 | 142.2° | 179.9° |
| H34 | C17 | C16 | H37 | 97.5° | 60.0° |
| H35 | C17 | C16 | H36 | 98.8° | 60.1° |
| H35 | C17 | C16 | H37 | 21.5° | 180.0° |
| H38 | C7 | C10 | H39 | 159.8° | 146.3° |
| H39 | C10 | O4 | H40 | 56.7° | 57.4° |
| H39 | C10 | C9 | H41 | 36.4° | 0.0° |
