OP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | C19 | sing | 1.53Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| C18 | N4 | sing | 1.47Å | 1.49Å | |
| C11 | N2 | doub | 1.32Å | 1.30Å | Aromatic |
| C11 | N1 | sing | 1.32Å | 1.28Å | Aromatic |
| N2 | C12 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.57Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C26 | N4 | sing | 1.47Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C15 | N3 | sing | 1.48Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| N1 | C10 | doub | 1.33Å | 1.37Å | Aromatic |
| N4 | C17 | sing | 1.47Å | 1.48Å | |
| C22 | N5 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| O3 | S | doub | 1.42Å | 1.45Å | |
| C5 | C3 | sing | 1.53Å | 1.57Å | |
| C12 | N3 | sing | 1.39Å | 1.37Å | |
| C12 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C27 | C14 | sing | 1.53Å | 1.52Å | |
| C3 | N | sing | 1.46Å | 1.46Å | |
| N5 | S | sing | 1.66Å | 1.60Å | |
| N3 | C13 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N | C6 | sing | 1.35Å | 1.29Å | |
| C10 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| S | O2 | doub | 1.42Å | 1.44Å | |
| S | C25 | sing | 1.81Å | 1.65Å | |
| C9 | O1 | sing | 1.36Å | 1.38Å | |
| C6 | O | doub | 1.22Å | 1.26Å | |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| O1 | C8 | sing | 1.36Å | 1.34Å | |
| C7 | C8 | doub | 1.40Å | 1.48Å | Aromatic |
| C7 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C28 | sing | 1.39Å | 1.36Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | F | sing | 1.35Å | 1.32Å | |
| C31 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C20 | H44 | sing | 1.09Å | 1.10Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C19 | 116.1° | 109.5° |
| C24 | C23 | C22 | 114.3° | 109.5° |
| C23 | C24 | H36 | 107.8° | 109.5° |
| C23 | C24 | H37 | 107.8° | 109.5° |
| C24 | C23 | H38 | 108.2° | 109.5° |
| C24 | C23 | H39 | 108.3° | 109.5° |
| C24 | C19 | C18 | 110.4° | 109.5° |
| C24 | C19 | C20 | 111.9° | 109.5° |
| C24 | C19 | H35 | 107.2° | 109.5° |
| C19 | C24 | H36 | 107.8° | 109.5° |
| C19 | C24 | H37 | 107.8° | 109.5° |
| C23 | C22 | N5 | 104.9° | 109.5° |
| C23 | C22 | C21 | 108.6° | 109.5° |
| C22 | C23 | H38 | 108.3° | 109.5° |
| C22 | C23 | H39 | 108.2° | 109.5° |
| C23 | C22 | H40 | 109.8° | 109.5° |
| C19 | C18 | N4 | 108.8° | 109.5° |
| C18 | C19 | C20 | 114.0° | 109.5° |
| C19 | C18 | H33 | 109.6° | 109.5° |
| C19 | C18 | H34 | 109.6° | 109.5° |
| C18 | C19 | H35 | 106.2° | 109.5° |
| C18 | N4 | C26 | 104.8° | 111.0° |
| C18 | N4 | C17 | 113.7° | 111.0° |
| N4 | C18 | H33 | 109.6° | 109.4° |
| N4 | C18 | H34 | 109.7° | 109.5° |
| N2 | C11 | N1 | 123.3° | 121.9° |
| C11 | N2 | C12 | 121.7° | 120.8° |
| N2 | C11 | H18 | 118.4° | 119.0° |
| C11 | N1 | C10 | 120.0° | 121.1° |
| N1 | C11 | H18 | 118.3° | 119.1° |
| N2 | C12 | N3 | 119.2° | 120.6° |
| N2 | C12 | C9 | 117.2° | 118.9° |
| C4 | C3 | C5 | 115.5° | 109.5° |
| C4 | C3 | N | 108.2° | 109.5° |
| C4 | C3 | H2 | 106.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.4° | 109.5° |
| C | C1 | C2 | 113.0° | 109.5° |
| C | C1 | N | 111.8° | 109.5° |
| C | C1 | H9 | 106.2° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.4° | 109.5° |
| C19 | C20 | C21 | 110.5° | 109.5° |
| C20 | C19 | H35 | 106.8° | 109.5° |
| C19 | C20 | H43 | 109.2° | 109.5° |
| C19 | C20 | H44 | 109.2° | 109.5° |
| N4 | C26 | C27 | 112.3° | 109.4° |
| C26 | N4 | C17 | 111.0° | 111.4° |
| N4 | C26 | H26 | 108.7° | 109.4° |
| N4 | C26 | H27 | 108.7° | 109.5° |
| C26 | C27 | C14 | 113.1° | 109.0° |
| C26 | C27 | H24 | 108.6° | 109.6° |
| C26 | C27 | H25 | 108.6° | 109.6° |
| C27 | C26 | H26 | 108.7° | 109.5° |
| C27 | C26 | H27 | 108.8° | 109.5° |
| N3 | C15 | C14 | 86.7° | 87.8° |
| C15 | N3 | C12 | 128.9° | 111.0° |
| C15 | N3 | C13 | 96.8° | 88.0° |
| N3 | C15 | H20 | 114.8° | 113.5° |
| N3 | C15 | H21 | 114.9° | 113.5° |
| C15 | C14 | C27 | 112.6° | 114.1° |
| C15 | C14 | C16 | 112.4° | 114.2° |
| C15 | C14 | C13 | 91.1° | 84.2° |
| C14 | C15 | H20 | 114.8° | 113.5° |
| C14 | C15 | H21 | 114.8° | 113.5° |
| C2 | C1 | N | 111.4° | 109.5° |
| C2 | C1 | H9 | 106.9° | 109.4° |
| C1 | C2 | H10 | 109.5° | 109.5° |
| C1 | C2 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.5° |
| C1 | N | C3 | 117.1° | 120.0° |
| C1 | N | C6 | 120.2° | 120.0° |
| N | C1 | H9 | 107.2° | 109.5° |
| N1 | C10 | C9 | 119.6° | 119.1° |
| N1 | C10 | H19 | 120.2° | 120.4° |
| N4 | C17 | C16 | 112.5° | 109.4° |
| N4 | C17 | H29 | 108.7° | 109.5° |
| N4 | C17 | H30 | 108.7° | 109.5° |
| N5 | C22 | C21 | 112.9° | 109.5° |
| C22 | N5 | S | 114.9° | 120.0° |
| N5 | C22 | H40 | 110.8° | 109.4° |
| C22 | N5 | H45 | 108.1° | 119.9° |
| C22 | C21 | C20 | 111.5° | 109.5° |
| C21 | C22 | H40 | 109.7° | 109.5° |
| C22 | C21 | H41 | 109.0° | 109.5° |
| C22 | C21 | H42 | 108.9° | 109.5° |
| O3 | S | N5 | 106.5° | 104.3° |
| O3 | S | O2 | 105.0° | 121.0° |
| O3 | S | C25 | 107.1° | 110.6° |
| C5 | C3 | N | 113.0° | 109.4° |
| C5 | C3 | H2 | 106.0° | 109.4° |
| C3 | C5 | H3 | 109.5° | 109.5° |
| C3 | C5 | H4 | 109.5° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| N3 | C12 | C9 | 123.6° | 120.5° |
| C12 | N3 | C13 | 133.3° | 111.0° |
| C12 | C9 | C10 | 118.0° | 118.2° |
| C12 | C9 | O1 | 120.2° | 120.9° |
| C17 | C16 | C14 | 112.1° | 109.0° |
| C16 | C17 | H29 | 108.7° | 109.4° |
| C16 | C17 | H30 | 108.7° | 109.5° |
| C17 | C16 | H31 | 108.8° | 109.6° |
| C17 | C16 | H32 | 108.8° | 109.6° |
| C27 | C14 | C16 | 109.6° | 113.1° |
| C27 | C14 | C13 | 112.1° | 114.2° |
| C14 | C27 | H24 | 108.6° | 109.6° |
| C14 | C27 | H25 | 108.5° | 109.5° |
| C3 | N | C6 | 122.1° | 120.0° |
| N | C3 | H2 | 107.2° | 109.5° |
| N5 | S | O2 | 108.8° | 104.3° |
| N5 | S | C25 | 113.5° | 104.4° |
| S | N5 | H45 | 108.1° | 120.0° |
| N3 | C13 | C14 | 85.4° | 87.7° |
| N3 | C13 | H22 | 115.1° | 113.5° |
| N3 | C13 | H23 | 115.1° | 113.5° |
| C20 | C21 | H41 | 108.9° | 109.5° |
| C20 | C21 | H42 | 109.0° | 109.4° |
| C21 | C20 | H43 | 109.2° | 109.5° |
| C21 | C20 | H44 | 109.2° | 109.5° |
| C16 | C14 | C13 | 118.1° | 114.2° |
| C14 | C16 | H31 | 108.8° | 109.5° |
| C14 | C16 | H32 | 108.8° | 109.5° |
| C14 | C13 | H22 | 115.1° | 113.5° |
| C14 | C13 | H23 | 115.1° | 113.5° |
| N | C6 | O | 123.0° | 120.0° |
| N | C6 | C7 | 123.0° | 120.0° |
| C10 | C9 | O1 | 121.7° | 120.9° |
| C9 | C10 | H19 | 120.2° | 120.5° |
| O2 | S | C25 | 115.2° | 110.5° |
| S | C25 | H46 | 109.5° | 109.5° |
| S | C25 | H47 | 109.5° | 109.4° |
| S | C25 | H48 | 109.4° | 109.4° |
| C9 | O1 | C8 | 122.0° | 118.0° |
| O | C6 | C7 | 113.9° | 120.0° |
| C6 | C7 | C8 | 116.4° | 120.2° |
| C6 | C7 | C31 | 124.2° | 120.2° |
| O1 | C8 | C7 | 117.8° | 120.1° |
| O1 | C8 | C28 | 120.6° | 120.1° |
| C8 | C7 | C31 | 119.2° | 119.6° |
| C7 | C8 | C28 | 121.5° | 119.8° |
| C7 | C31 | C30 | 116.6° | 119.9° |
| C7 | C31 | H1 | 121.7° | 120.0° |
| C8 | C28 | C29 | 120.3° | 120.1° |
| C8 | C28 | H17 | 119.9° | 119.9° |
| C31 | C30 | C29 | 123.2° | 120.2° |
| C31 | C30 | F | 117.9° | 119.8° |
| C30 | C31 | H1 | 121.7° | 120.1° |
| C28 | C29 | C30 | 118.8° | 120.4° |
| C28 | C29 | H16 | 120.6° | 119.9° |
| C29 | C28 | H17 | 119.9° | 119.9° |
| C29 | C30 | F | 118.8° | 119.9° |
| C30 | C29 | H16 | 120.6° | 119.8° |
| H3 | C5 | H4 | 109.4° | 109.4° |
| H3 | C5 | H5 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.4° | 109.4° |
| H10 | C2 | H12 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.4° | 112.8° |
| H22 | C13 | H23 | 109.5° | 112.8° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.5° |
| H31 | C16 | H32 | 109.5° | 109.6° |
| H33 | C18 | H34 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.5° | 109.5° |
| H41 | C21 | H42 | 109.5° | 109.5° |
| H43 | C20 | H44 | 109.5° | 109.4° |
| H46 | C25 | H47 | 109.4° | 109.5° |
| H46 | C25 | H48 | 109.5° | 109.5° |
| H47 | C25 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C19 | H36 | 121.0° | 120.0° |
| C23 | C24 | C19 | H37 | 120.9° | 120.0° |
| C24 | C23 | C22 | H38 | 120.7° | 120.0° |
| C24 | C23 | C22 | H39 | 120.7° | 120.0° |
| C23 | C24 | C19 | C18 | 175.1° | 180.0° |
| C23 | C24 | C19 | C20 | 47.0° | 60.0° |
| C24 | C23 | C22 | N5 | 169.8° | 180.0° |
| C24 | C23 | C22 | C21 | 48.8° | 60.0° |
| C23 | C24 | C19 | H35 | 69.7° | 60.0° |
| C23 | C24 | H36 | H37 | 117.0° | 120.0° |
| C24 | C23 | H38 | H39 | 117.8° | 120.0° |
| C24 | C23 | C22 | H40 | 71.1° | 60.1° |
| C19 | C24 | C23 | C22 | 45.6° | 60.0° |
| C24 | C19 | C18 | C20 | 127.0° | 120.0° |
| C24 | C19 | C18 | H35 | 115.8° | 120.1° |
| C24 | C19 | C18 | N4 | 178.7° | 62.0° |
| C24 | C19 | C20 | H35 | 117.0° | 120.0° |
| C24 | C19 | C20 | C21 | 53.8° | 60.0° |
| C24 | C19 | C18 | H33 | 61.4° | 178.1° |
| C24 | C19 | C18 | H34 | 58.8° | 58.0° |
| C19 | C24 | H36 | H37 | 117.0° | 120.0° |
| C19 | C24 | C23 | H38 | 166.3° | 180.0° |
| C19 | C24 | C23 | H39 | 75.1° | 60.0° |
| C24 | C19 | C20 | H43 | 173.9° | 180.0° |
| C24 | C19 | C20 | H44 | 66.4° | 60.0° |
| C23 | C22 | N5 | C21 | 118.1° | 120.1° |
| C23 | C22 | N5 | H40 | 118.4° | 119.9° |
| C23 | C22 | C21 | H40 | 120.0° | 120.0° |
| C23 | C22 | N5 | S | 141.3° | 145.0° |
| C23 | C22 | C21 | C20 | 57.0° | 60.0° |
| C22 | C23 | C24 | H36 | 166.6° | 60.1° |
| C22 | C23 | C24 | H37 | 75.3° | 180.0° |
| C22 | C23 | H38 | H39 | 117.8° | 120.0° |
| C23 | C22 | C21 | H41 | 177.3° | 180.0° |
| C23 | C22 | C21 | H42 | 63.3° | 60.0° |
| C23 | C22 | N5 | H45 | 20.5° | 35.1° |
| C19 | C18 | N4 | H33 | 119.9° | 120.0° |
| C19 | C18 | N4 | H34 | 119.9° | 120.0° |
| C18 | C19 | C20 | H35 | 116.9° | 120.0° |
| C19 | C18 | N4 | C26 | 175.9° | 66.7° |
| C19 | C18 | N4 | C17 | 62.6° | 168.8° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C19 | C18 | H33 | H34 | 120.3° | 120.1° |
| C18 | C19 | C24 | H36 | 63.9° | 60.0° |
| C18 | C19 | C24 | H37 | 54.1° | 60.0° |
| C18 | C19 | C20 | H43 | 59.9° | 60.0° |
| C18 | C19 | C20 | H44 | 59.8° | 60.0° |
| N4 | C18 | C19 | C20 | 51.8° | 178.1° |
| C18 | N4 | C26 | C17 | 123.2° | 124.2° |
| C18 | N4 | C26 | C27 | 176.7° | 172.1° |
| C18 | N4 | C17 | C16 | 172.3° | 172.1° |
| C18 | N4 | C26 | H26 | 56.3° | 52.2° |
| C18 | N4 | C26 | H27 | 62.8° | 67.9° |
| C18 | N4 | C17 | H29 | 67.2° | 52.2° |
| C18 | N4 | C17 | H30 | 51.9° | 67.9° |
| N4 | C18 | H33 | H34 | 120.3° | 120.0° |
| N4 | C18 | C19 | H35 | 65.4° | 58.1° |
| N2 | C11 | N1 | H18 | 180.0° | 179.9° |
| N2 | C11 | N1 | C10 | 0.1° | 0.3° |
| C11 | N2 | C12 | N3 | 176.2° | 180.0° |
| C11 | N2 | C12 | C9 | 3.0° | 0.0° |
| N1 | C11 | N2 | C12 | 1.8° | 0.1° |
| C11 | N1 | C10 | C9 | 0.6° | 0.6° |
| C11 | N1 | C10 | H19 | 179.4° | 180.0° |
| N2 | C12 | N3 | C15 | 8.8° | 96.2° |
| N2 | C12 | N3 | C9 | 179.1° | 180.0° |
| N2 | C12 | N3 | C13 | 174.6° | 0.0° |
| N2 | C12 | C9 | C10 | 2.4° | 0.3° |
| N2 | C12 | C9 | O1 | 179.7° | 180.0° |
| C12 | N2 | C11 | H18 | 178.2° | 180.0° |
| C4 | C3 | N | C1 | 64.1° | 118.5° |
| C4 | C3 | C5 | N | 125.3° | 120.0° |
| C4 | C3 | C5 | H2 | 117.6° | 120.0° |
| C4 | C3 | N | H2 | 114.5° | 120.1° |
| C4 | C3 | N | C6 | 124.5° | 61.5° |
| C4 | C3 | C5 | H3 | 180.0° | 107.0° |
| C4 | C3 | C5 | H4 | 60.0° | 13.0° |
| C4 | C3 | C5 | H5 | 60.0° | 133.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.1° |
| C | C1 | C2 | N | 126.8° | 120.0° |
| C | C1 | C2 | H9 | 116.4° | 120.0° |
| C | C1 | N | H9 | 116.0° | 120.0° |
| C | C1 | N | C3 | 116.8° | 60.0° |
| C | C1 | N | C6 | 71.6° | 120.0° |
| C | C1 | C2 | H10 | 180.0° | 60.0° |
| C | C1 | C2 | H11 | 60.0° | 60.0° |
| C | C1 | C2 | H12 | 60.0° | 180.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 60.6° | 60.0° |
| C19 | C20 | C21 | H43 | 120.2° | 120.0° |
| C19 | C20 | C21 | H44 | 120.2° | 120.0° |
| C20 | C19 | C18 | H33 | 171.7° | 58.1° |
| C20 | C19 | C18 | H34 | 68.2° | 61.9° |
| C20 | C19 | C24 | H36 | 168.0° | 60.0° |
| C20 | C19 | C24 | H37 | 73.9° | 180.0° |
| C19 | C20 | C21 | H41 | 179.1° | 180.0° |
| C19 | C20 | C21 | H42 | 59.7° | 60.0° |
| C19 | C20 | H43 | H44 | 119.5° | 120.0° |
| N4 | C26 | C27 | H26 | 120.4° | 119.9° |
| N4 | C26 | C27 | H27 | 120.4° | 120.0° |
| C26 | N4 | C17 | C16 | 54.4° | 63.7° |
| N4 | C26 | C27 | C14 | 53.8° | 56.7° |
| N4 | C26 | C27 | H24 | 174.3° | 63.2° |
| N4 | C26 | C27 | H25 | 66.8° | 176.6° |
| N4 | C26 | H26 | H27 | 118.7° | 120.1° |
| C26 | N4 | C17 | H29 | 174.8° | 176.4° |
| C26 | N4 | C17 | H30 | 66.1° | 56.4° |
| C26 | N4 | C18 | H33 | 64.2° | 53.3° |
| C26 | N4 | C18 | H34 | 56.0° | 173.3° |
| C26 | C27 | C14 | C15 | 72.9° | 79.2° |
| C27 | C26 | N4 | C17 | 53.5° | 63.7° |
| C26 | C27 | C14 | H24 | 120.6° | 119.9° |
| C26 | C27 | C14 | H25 | 120.6° | 120.0° |
| C26 | C27 | C14 | C16 | 53.0° | 53.5° |
| C26 | C27 | C14 | C13 | 173.8° | 173.8° |
| C26 | C27 | H24 | H25 | 118.4° | 120.3° |
| C27 | C26 | H26 | H27 | 118.7° | 120.1° |
| N3 | C15 | C14 | H20 | 115.9° | 114.8° |
| N3 | C15 | C14 | H21 | 115.9° | 114.7° |
| C15 | N3 | C12 | C13 | 165.8° | 96.2° |
| C15 | N3 | C12 | C9 | 170.3° | 83.9° |
| N3 | C15 | C14 | C27 | 116.3° | 88.3° |
| N3 | C15 | C14 | C16 | 119.4° | 139.6° |
| N3 | C15 | C14 | C13 | 1.7° | 25.6° |
| N3 | C15 | H20 | H21 | 130.9° | 130.9° |
| C15 | N3 | C13 | H22 | 117.4° | 88.2° |
| C15 | N3 | C13 | H23 | 113.8° | 141.2° |
| C14 | C15 | N3 | C12 | 167.9° | 138.2° |
| C15 | C14 | C16 | C17 | 72.8° | 79.2° |
| C15 | C14 | C27 | C16 | 125.9° | 132.7° |
| C15 | C14 | C27 | C13 | 101.0° | 94.5° |
| C15 | C14 | C16 | C13 | 104.1° | 94.6° |
| C14 | C15 | H20 | H21 | 130.9° | 130.8° |
| C15 | C14 | C13 | H22 | 117.3° | 89.1° |
| C15 | C14 | C13 | H23 | 113.9° | 140.3° |
| C15 | C14 | C27 | H24 | 47.7° | 160.9° |
| C15 | C14 | C27 | H25 | 166.6° | 40.7° |
| C15 | C14 | C16 | H31 | 166.9° | 40.6° |
| C15 | C14 | C16 | H32 | 47.6° | 160.9° |
| C2 | C1 | N | H9 | 116.6° | 120.0° |
| C2 | C1 | N | C3 | 115.8° | 60.1° |
| C2 | C1 | N | C6 | 55.8° | 120.0° |
| C1 | C2 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | H10 | H12 | 120.0° | 120.1° |
| C1 | C2 | H11 | H12 | 120.0° | 120.1° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C1 | N | C3 | C5 | 65.1° | 121.5° |
| C1 | N | C3 | C6 | 171.4° | 180.0° |
| C1 | N | C6 | O | 0.1° | 32.8° |
| C1 | N | C6 | C7 | 176.2° | 147.2° |
| C1 | N | C3 | H2 | 178.5° | 1.6° |
| N | C1 | C2 | H10 | 53.2° | 60.1° |
| N | C1 | C2 | H11 | 173.2° | 180.0° |
| N | C1 | C2 | H12 | 66.8° | 60.0° |
| N | C1 | C | H13 | 53.4° | 60.0° |
| N | C1 | C | H14 | 66.6° | 60.0° |
| N | C1 | C | H15 | 173.4° | 180.0° |
| N1 | C10 | C9 | C12 | 0.7° | 0.6° |
| N1 | C10 | C9 | H19 | 180.0° | 179.4° |
| N1 | C10 | C9 | O1 | 178.6° | 179.8° |
| C10 | N1 | C11 | H18 | 179.9° | 179.7° |
| N4 | C17 | C16 | H29 | 120.4° | 119.9° |
| N4 | C17 | C16 | H30 | 120.5° | 120.0° |
| N4 | C17 | C16 | C14 | 55.6° | 56.7° |
| C17 | N4 | C26 | H26 | 66.9° | 176.4° |
| C17 | N4 | C26 | H27 | 173.9° | 56.3° |
| N4 | C17 | H29 | H30 | 118.7° | 120.0° |
| N4 | C17 | C16 | H31 | 64.8° | 176.5° |
| N4 | C17 | C16 | H32 | 176.0° | 63.2° |
| C17 | N4 | C18 | H33 | 57.3° | 71.2° |
| C17 | N4 | C18 | H34 | 177.5° | 48.8° |
| N5 | C22 | C21 | H40 | 124.1° | 119.9° |
| C22 | N5 | S | O3 | 69.3° | 51.1° |
| C22 | N5 | S | H45 | 120.8° | 180.0° |
| N5 | C22 | C21 | C20 | 172.9° | 180.0° |
| C22 | N5 | S | O2 | 178.0° | 178.9° |
| C22 | N5 | S | C25 | 48.3° | 65.1° |
| N5 | C22 | C23 | H38 | 69.5° | 59.9° |
| N5 | C22 | C23 | H39 | 49.1° | 60.0° |
| N5 | C22 | C21 | H41 | 66.8° | 60.0° |
| N5 | C22 | C21 | H42 | 52.6° | 60.0° |
| C21 | C22 | N5 | S | 100.6° | 95.0° |
| C22 | C21 | C20 | H41 | 120.3° | 120.0° |
| C22 | C21 | C20 | H42 | 120.3° | 120.0° |
| C21 | C22 | C23 | H38 | 169.5° | 180.0° |
| C21 | C22 | C23 | H39 | 71.9° | 60.0° |
| C22 | C21 | H41 | H42 | 119.1° | 120.0° |
| C22 | C21 | C20 | H43 | 179.2° | 180.0° |
| C22 | C21 | C20 | H44 | 59.5° | 60.0° |
| C21 | C22 | N5 | H45 | 138.6° | 85.0° |
| O3 | S | N5 | O2 | 112.7° | 127.9° |
| O3 | S | N5 | C25 | 117.6° | 116.1° |
| O3 | S | O2 | C25 | 117.6° | 131.5° |
| O3 | S | N5 | H45 | 51.5° | 128.9° |
| O3 | S | C25 | H46 | 180.0° | 171.6° |
| O3 | S | C25 | H47 | 60.0° | 68.3° |
| O3 | S | C25 | H48 | 60.0° | 51.6° |
| C5 | C3 | N | H2 | 116.4° | 119.9° |
| C5 | C3 | N | C6 | 106.4° | 58.5° |
| C3 | C5 | H3 | H4 | 120.0° | 120.0° |
| C3 | C5 | H3 | H5 | 120.0° | 120.1° |
| C3 | C5 | H4 | H5 | 120.0° | 120.1° |
| C5 | C3 | C4 | H6 | 180.0° | 134.8° |
| C5 | C3 | C4 | H7 | 60.0° | 14.8° |
| C5 | C3 | C4 | H8 | 60.0° | 105.3° |
| C12 | N3 | C13 | C14 | 167.1° | 138.3° |
| N3 | C12 | C9 | C10 | 176.7° | 179.7° |
| N3 | C12 | C9 | O1 | 1.2° | 0.1° |
| C12 | N3 | C15 | H20 | 76.2° | 107.0° |
| C12 | N3 | C15 | H21 | 52.0° | 23.5° |
| C12 | N3 | C13 | H22 | 51.5° | 23.6° |
| C12 | N3 | C13 | H23 | 77.3° | 107.0° |
| C9 | C12 | N3 | C13 | 4.5° | 180.0° |
| C12 | C9 | C10 | O1 | 177.9° | 179.7° |
| C12 | C9 | O1 | C8 | 157.4° | 86.9° |
| C12 | C9 | C10 | H19 | 179.3° | 180.0° |
| C17 | C16 | C14 | C27 | 53.2° | 53.5° |
| C17 | C16 | C14 | H31 | 120.4° | 119.9° |
| C17 | C16 | C14 | H32 | 120.4° | 119.9° |
| C17 | C16 | C14 | C13 | 176.8° | 173.8° |
| C16 | C17 | H29 | H30 | 118.6° | 120.1° |
| C17 | C16 | H31 | H32 | 118.8° | 120.3° |
| C27 | C14 | C13 | N3 | 116.6° | 88.2° |
| C27 | C14 | C16 | C13 | 130.0° | 132.8° |
| C27 | C14 | C15 | H20 | 0.4° | 26.5° |
| C27 | C14 | C15 | H21 | 127.8° | 157.0° |
| C27 | C14 | C13 | H22 | 127.8° | 157.1° |
| C27 | C14 | C13 | H23 | 1.0° | 26.5° |
| C14 | C27 | H24 | H25 | 118.3° | 120.2° |
| C14 | C27 | C26 | H26 | 66.6° | 176.6° |
| C14 | C27 | C26 | H27 | 174.2° | 63.4° |
| C27 | C14 | C16 | H31 | 67.2° | 173.3° |
| C27 | C14 | C16 | H32 | 173.6° | 66.4° |
| C3 | N | C6 | O | 171.0° | 147.2° |
| C3 | N | C6 | C7 | 5.0° | 32.8° |
| N | C3 | C5 | H3 | 54.8° | 13.0° |
| N | C3 | C5 | H4 | 174.7° | 133.0° |
| N | C3 | C5 | H5 | 65.2° | 107.0° |
| N | C3 | C4 | H6 | 52.3° | 105.2° |
| N | C3 | C4 | H7 | 67.7° | 134.8° |
| N | C3 | C4 | H8 | 172.3° | 14.7° |
| C3 | N | C1 | H9 | 0.8° | 180.0° |
| N5 | S | O2 | C25 | 128.7° | 111.7° |
| S | N5 | C22 | H40 | 22.9° | 25.0° |
| N5 | S | C25 | H46 | 62.7° | 60.0° |
| N5 | S | C25 | H47 | 57.3° | 180.0° |
| N5 | S | C25 | H48 | 177.2° | 60.0° |
| N3 | C13 | C14 | C16 | 114.6° | 139.5° |
| N3 | C13 | C14 | H22 | 115.6° | 114.7° |
| N3 | C13 | C14 | H23 | 115.6° | 114.7° |
| C13 | N3 | C15 | H20 | 114.1° | 141.3° |
| C13 | N3 | C15 | H21 | 117.7° | 88.2° |
| N3 | C13 | H22 | H23 | 131.5° | 130.9° |
| C21 | C20 | C19 | H35 | 63.2° | 60.0° |
| C20 | C21 | C22 | H40 | 63.0° | 60.1° |
| C20 | C21 | H41 | H42 | 119.1° | 120.0° |
| C21 | C20 | H43 | H44 | 119.5° | 120.0° |
| C16 | C14 | C15 | H20 | 124.7° | 105.7° |
| C16 | C14 | C15 | H21 | 3.5° | 24.8° |
| C16 | C14 | C13 | H22 | 1.1° | 24.8° |
| C16 | C14 | C13 | H23 | 129.8° | 105.8° |
| C16 | C14 | C27 | H24 | 173.5° | 66.4° |
| C16 | C14 | C27 | H25 | 67.6° | 173.4° |
| C14 | C16 | C17 | H29 | 176.0° | 176.6° |
| C14 | C16 | C17 | H30 | 64.9° | 63.3° |
| C14 | C16 | H31 | H32 | 118.8° | 120.2° |
| C13 | C14 | C15 | H20 | 114.1° | 140.4° |
| C13 | C14 | C15 | H21 | 117.7° | 89.1° |
| C14 | C13 | H22 | H23 | 131.5° | 130.9° |
| C13 | C14 | C27 | H24 | 53.3° | 66.4° |
| C13 | C14 | C27 | H25 | 65.6° | 53.8° |
| C13 | C14 | C16 | H31 | 62.8° | 53.9° |
| C13 | C14 | C16 | H32 | 56.4° | 66.4° |
| N | C6 | O | C7 | 176.4° | 180.0° |
| N | C6 | C7 | C8 | 101.0° | 136.9° |
| N | C6 | C7 | C31 | 84.5° | 43.1° |
| C6 | N | C3 | H2 | 10.1° | 178.4° |
| C6 | N | C1 | H9 | 172.4° | 0.0° |
| C10 | C9 | O1 | C8 | 24.7° | 93.4° |
| O2 | S | N5 | H45 | 61.2° | 1.1° |
| O2 | S | C25 | H46 | 63.6° | 51.6° |
| O2 | S | C25 | H47 | 176.4° | 68.5° |
| O2 | S | C25 | H48 | 56.4° | 171.6° |
| C25 | S | N5 | H45 | 169.1° | 115.0° |
| S | C25 | H46 | H47 | 120.0° | 120.0° |
| S | C25 | H46 | H48 | 120.0° | 120.0° |
| S | C25 | H47 | H48 | 120.0° | 119.9° |
| C9 | O1 | C8 | C7 | 90.3° | 174.6° |
| C9 | O1 | C8 | C28 | 92.0° | 5.2° |
| O1 | C9 | C10 | H19 | 1.4° | 0.3° |
| O | C6 | C7 | C8 | 82.6° | 43.1° |
| O | C6 | C7 | C31 | 91.8° | 136.9° |
| C6 | C7 | C8 | O1 | 2.5° | 0.0° |
| C6 | C7 | C8 | C31 | 174.7° | 180.0° |
| C6 | C7 | C8 | C28 | 175.2° | 179.8° |
| C6 | C7 | C31 | C30 | 175.2° | 180.0° |
| C6 | C7 | C31 | H1 | 4.8° | 0.1° |
| O1 | C8 | C7 | C28 | 177.8° | 179.8° |
| O1 | C8 | C7 | C31 | 177.3° | 180.0° |
| O1 | C8 | C28 | C29 | 178.5° | 179.8° |
| O1 | C8 | C28 | H17 | 1.5° | 0.2° |
| C8 | C7 | C31 | C30 | 0.9° | 0.0° |
| C7 | C8 | C28 | C29 | 3.8° | 0.4° |
| C8 | C7 | C31 | H1 | 179.1° | 180.0° |
| C7 | C8 | C28 | H17 | 176.2° | 180.0° |
| C31 | C7 | C8 | C28 | 0.5° | 0.2° |
| C7 | C31 | C30 | H1 | 180.0° | 179.9° |
| C7 | C31 | C30 | C29 | 3.0° | 0.0° |
| C7 | C31 | C30 | F | 179.4° | 179.7° |
| C8 | C28 | C29 | H17 | 180.0° | 179.5° |
| C8 | C28 | C29 | C30 | 7.4° | 0.5° |
| C8 | C28 | C29 | H16 | 172.5° | 179.5° |
| C31 | C30 | C29 | C28 | 7.2° | 0.2° |
| C31 | C30 | C29 | F | 176.3° | 179.7° |
| C31 | C30 | C29 | H16 | 172.7° | 179.7° |
| C28 | C29 | C30 | H16 | 180.0° | 180.0° |
| C28 | C29 | C30 | F | 176.4° | 179.9° |
| C29 | C30 | C31 | H1 | 177.0° | 180.0° |
| C30 | C29 | C28 | H17 | 172.6° | 180.0° |
| F | C30 | C31 | H1 | 0.6° | 0.4° |
| F | C30 | C29 | H16 | 3.6° | 0.0° |
| H2 | C3 | C5 | H3 | 62.3° | 133.0° |
| H2 | C3 | C5 | H4 | 57.6° | 107.1° |
| H2 | C3 | C5 | H5 | 177.7° | 13.0° |
| H2 | C3 | C4 | H6 | 62.6° | 14.8° |
| H2 | C3 | C4 | H7 | 177.4° | 105.2° |
| H2 | C3 | C4 | H8 | 57.4° | 134.8° |
| H3 | C5 | H4 | H5 | 120.0° | 119.9° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H9 | C1 | C2 | H10 | 63.5° | 180.0° |
| H9 | C1 | C2 | H11 | 56.4° | 60.0° |
| H9 | C1 | C2 | H12 | 176.4° | 60.0° |
| H9 | C1 | C | H13 | 63.1° | 180.0° |
| H9 | C1 | C | H14 | 176.8° | 60.0° |
| H9 | C1 | C | H15 | 56.9° | 60.0° |
| H10 | C2 | H11 | H12 | 120.0° | 119.9° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H16 | C29 | C28 | H17 | 7.4° | 0.0° |
| H24 | C27 | C26 | H26 | 53.9° | 56.7° |
| H24 | C27 | C26 | H27 | 65.3° | 176.8° |
| H25 | C27 | C26 | H26 | 172.8° | 63.5° |
| H25 | C27 | C26 | H27 | 53.7° | 56.6° |
| H29 | C17 | C16 | H31 | 55.6° | 63.6° |
| H29 | C17 | C16 | H32 | 63.6° | 56.8° |
| H30 | C17 | C16 | H31 | 174.7° | 56.5° |
| H30 | C17 | C16 | H32 | 55.5° | 176.8° |
| H33 | C18 | C19 | H35 | 54.5° | 61.9° |
| H34 | C18 | C19 | H35 | 174.6° | 178.1° |
| H35 | C19 | C24 | H36 | 51.3° | 180.0° |
| H35 | C19 | C24 | H37 | 169.3° | 60.0° |
| H35 | C19 | C20 | H43 | 57.0° | 60.0° |
| H35 | C19 | C20 | H44 | 176.6° | 180.0° |
| H36 | C24 | C23 | H38 | 72.7° | 60.0° |
| H36 | C24 | C23 | H39 | 45.9° | 180.0° |
| H37 | C24 | C23 | H38 | 45.4° | 60.0° |
| H37 | C24 | C23 | H39 | 164.0° | 60.0° |
| H38 | C23 | C22 | H40 | 49.6° | 59.9° |
| H39 | C23 | C22 | H40 | 168.1° | 179.9° |
| H40 | C22 | C21 | H41 | 57.3° | 60.0° |
| H40 | C22 | C21 | H42 | 176.7° | 180.0° |
| H40 | C22 | N5 | H45 | 97.9° | 155.0° |
| H41 | C21 | C20 | H43 | 58.9° | 60.0° |
| H41 | C21 | C20 | H44 | 60.8° | 60.0° |
| H42 | C21 | C20 | H43 | 60.5° | 60.0° |
| H42 | C21 | C20 | H44 | 179.8° | 180.0° |
| H46 | C25 | H47 | H48 | 120.0° | 120.1° |
