ZMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| O7 | P1 | sing | 1.61Å | 1.67Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| P1 | O6 | doub | 1.48Å | 1.67Å | |
| P1 | O5 | sing | 1.61Å | 1.83Å | |
| C1 | C22 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O5 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C18 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| O1 | C10 | doub | 1.21Å | 1.33Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | O4 | sing | 1.43Å | 1.43Å | |
| C10 | S1 | sing | 1.71Å | 1.77Å | |
| O3 | C16 | doub | 1.21Å | 1.33Å | |
| C16 | N2 | sing | 1.35Å | 1.26Å | |
| C12 | N1 | sing | 1.46Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N1 | C13 | sing | 1.35Å | 1.26Å | |
| C13 | O2 | doub | 1.21Å | 1.33Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N2 | C15 | sing | 1.47Å | 1.46Å | |
| S1 | C11 | sing | 1.81Å | 1.77Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| P1 | O8 | sing | 1.61Å | 1.59Å | |
| O8 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 111.4° | 109.5° |
| C25 | C24 | H45 | 109.0° | 109.5° |
| C25 | C24 | H46 | 109.0° | 109.5° |
| C24 | C25 | H47 | 109.5° | 109.5° |
| C24 | C25 | H48 | 109.4° | 109.5° |
| C24 | C25 | H49 | 109.4° | 109.4° |
| O7 | P1 | O6 | 118.5° | 109.4° |
| O7 | P1 | O5 | 117.6° | 109.5° |
| P1 | O7 | H1 | 109.5° | 114.0° |
| O7 | P1 | O8 | 93.8° | 109.4° |
| C24 | C23 | C22 | 110.7° | 109.5° |
| C24 | C23 | H43 | 109.2° | 109.5° |
| C24 | C23 | H44 | 109.2° | 109.4° |
| C23 | C24 | H45 | 109.0° | 109.4° |
| C23 | C24 | H46 | 109.0° | 109.5° |
| C23 | C22 | C1 | 111.8° | 109.4° |
| C23 | C22 | H41 | 108.9° | 109.5° |
| C23 | C22 | H42 | 108.9° | 109.5° |
| C22 | C23 | H43 | 109.1° | 109.5° |
| C22 | C23 | H44 | 109.2° | 109.5° |
| O6 | P1 | O5 | 116.9° | 109.5° |
| O6 | P1 | O8 | 108.6° | 109.5° |
| P1 | O5 | C21 | 118.5° | 123.0° |
| O5 | P1 | O8 | 94.2° | 109.5° |
| C22 | C1 | C2 | 119.7° | 109.5° |
| C22 | C1 | H39 | 106.8° | 109.4° |
| C22 | C1 | H40 | 106.8° | 109.5° |
| C1 | C22 | H41 | 108.9° | 109.4° |
| C1 | C22 | H42 | 108.9° | 109.5° |
| C1 | C2 | C3 | 120.5° | 109.5° |
| C1 | C2 | H37 | 106.7° | 109.5° |
| C1 | C2 | H38 | 106.6° | 109.5° |
| C2 | C1 | H39 | 106.9° | 109.5° |
| C2 | C1 | H40 | 106.9° | 109.5° |
| C20 | C18 | C19 | 109.3° | 109.4° |
| C20 | C18 | C21 | 108.9° | 109.5° |
| C20 | C18 | C17 | 108.3° | 109.5° |
| C18 | C20 | H8 | 109.5° | 109.4° |
| C18 | C20 | H9 | 109.5° | 109.5° |
| C18 | C20 | H10 | 109.4° | 109.5° |
| C19 | C18 | C21 | 109.0° | 109.5° |
| C19 | C18 | C17 | 112.1° | 109.5° |
| C18 | C19 | H5 | 109.5° | 109.5° |
| C18 | C19 | H6 | 109.5° | 109.5° |
| C18 | C19 | H7 | 109.5° | 109.5° |
| O5 | C21 | C18 | 110.2° | 109.4° |
| O5 | C21 | H3 | 109.3° | 109.5° |
| O5 | C21 | H4 | 109.3° | 109.5° |
| C21 | C18 | C17 | 109.2° | 109.5° |
| C18 | C21 | H3 | 109.3° | 109.5° |
| C18 | C21 | H4 | 109.3° | 109.4° |
| C2 | C3 | C4 | 111.4° | 109.5° |
| C2 | C3 | H35 | 109.0° | 109.4° |
| C2 | C3 | H36 | 109.0° | 109.5° |
| C3 | C2 | H37 | 106.6° | 109.5° |
| C3 | C2 | H38 | 106.7° | 109.4° |
| C3 | C4 | C5 | 111.5° | 109.5° |
| C3 | C4 | H33 | 108.9° | 109.5° |
| C3 | C4 | H34 | 108.9° | 109.5° |
| C4 | C3 | H35 | 109.0° | 109.5° |
| C4 | C3 | H36 | 109.0° | 109.5° |
| C18 | C17 | C16 | 113.5° | 109.5° |
| C18 | C17 | O4 | 110.6° | 109.5° |
| C18 | C17 | H11 | 106.9° | 109.5° |
| C4 | C5 | C6 | 110.7° | 109.5° |
| C4 | C5 | H31 | 109.2° | 109.5° |
| C4 | C5 | H32 | 109.2° | 109.5° |
| C5 | C4 | H33 | 108.9° | 109.5° |
| C5 | C4 | H34 | 108.9° | 109.4° |
| O1 | C10 | C9 | 119.5° | 120.0° |
| O1 | C10 | S1 | 120.0° | 120.0° |
| C8 | C9 | C10 | 112.0° | 109.4° |
| C9 | C8 | C7 | 111.3° | 109.4° |
| C8 | C9 | H23 | 108.8° | 109.5° |
| C8 | C9 | H24 | 108.9° | 109.5° |
| C9 | C8 | H25 | 109.0° | 109.5° |
| C9 | C8 | H26 | 109.0° | 109.5° |
| C9 | C10 | S1 | 120.0° | 120.0° |
| C10 | C9 | H23 | 108.8° | 109.4° |
| C10 | C9 | H24 | 108.9° | 109.5° |
| C5 | C6 | C7 | 111.5° | 109.4° |
| C5 | C6 | H29 | 109.0° | 109.4° |
| C5 | C6 | H30 | 109.0° | 109.5° |
| C6 | C5 | H31 | 109.2° | 109.5° |
| C6 | C5 | H32 | 109.1° | 109.5° |
| C6 | C7 | C8 | 111.3° | 109.4° |
| C6 | C7 | H27 | 109.0° | 109.4° |
| C6 | C7 | H28 | 109.0° | 109.5° |
| C7 | C6 | H29 | 109.0° | 109.5° |
| C7 | C6 | H30 | 109.0° | 109.5° |
| C7 | C8 | H25 | 109.0° | 109.4° |
| C7 | C8 | H26 | 109.1° | 109.5° |
| C8 | C7 | H27 | 109.0° | 109.5° |
| C8 | C7 | H28 | 109.0° | 109.5° |
| C16 | C17 | O4 | 110.3° | 109.5° |
| C17 | C16 | O3 | 121.2° | 120.0° |
| C17 | C16 | N2 | 118.4° | 120.0° |
| C16 | C17 | H11 | 107.2° | 109.5° |
| O4 | C17 | H11 | 108.2° | 109.4° |
| C17 | O4 | H12 | 109.5° | 114.0° |
| C10 | S1 | C11 | 111.7° | 100.0° |
| O3 | C16 | N2 | 120.4° | 120.0° |
| C16 | N2 | C15 | 128.8° | 120.0° |
| C16 | N2 | H13 | 115.6° | 120.0° |
| N1 | C12 | C11 | 106.6° | 109.4° |
| C12 | N1 | C13 | 127.2° | 120.0° |
| C12 | N1 | H18 | 116.4° | 120.0° |
| N1 | C12 | H19 | 110.2° | 109.5° |
| N1 | C12 | H20 | 110.2° | 109.5° |
| C12 | C11 | S1 | 110.4° | 109.4° |
| C11 | C12 | H19 | 110.2° | 109.5° |
| C11 | C12 | H20 | 110.2° | 109.4° |
| C12 | C11 | H21 | 109.2° | 109.5° |
| C12 | C11 | H22 | 109.3° | 109.5° |
| N1 | C13 | O2 | 119.5° | 120.0° |
| N1 | C13 | C14 | 119.7° | 120.0° |
| C13 | N1 | H18 | 116.4° | 120.0° |
| O2 | C13 | C14 | 120.7° | 120.0° |
| C13 | C14 | C15 | 111.5° | 109.5° |
| C13 | C14 | H16 | 108.9° | 109.4° |
| C13 | C14 | H17 | 109.0° | 109.5° |
| C14 | C15 | N2 | 106.1° | 109.5° |
| C14 | C15 | H14 | 110.3° | 109.5° |
| C14 | C15 | H15 | 110.3° | 109.5° |
| C15 | C14 | H16 | 109.0° | 109.5° |
| C15 | C14 | H17 | 108.9° | 109.5° |
| C15 | N2 | H13 | 115.6° | 120.0° |
| N2 | C15 | H14 | 110.3° | 109.4° |
| N2 | C15 | H15 | 110.3° | 109.4° |
| S1 | C11 | H21 | 109.3° | 109.5° |
| S1 | C11 | H22 | 109.2° | 109.5° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C19 | H6 | 109.4° | 109.5° |
| H5 | C19 | H7 | 109.5° | 109.5° |
| H6 | C19 | H7 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H10 | 109.4° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.4° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C9 | H24 | 109.5° | 109.5° |
| H25 | C8 | H26 | 109.5° | 109.5° |
| H27 | C7 | H28 | 109.5° | 109.5° |
| H29 | C6 | H30 | 109.4° | 109.5° |
| H31 | C5 | H32 | 109.5° | 109.5° |
| H33 | C4 | H34 | 109.5° | 109.5° |
| H35 | C3 | H36 | 109.5° | 109.4° |
| H37 | C2 | H38 | 109.4° | 109.4° |
| H39 | C1 | H40 | 109.5° | 109.5° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| H43 | C23 | H44 | 109.5° | 109.5° |
| H45 | C24 | H46 | 109.5° | 109.5° |
| H47 | C25 | H48 | 109.5° | 109.5° |
| H47 | C25 | H49 | 109.5° | 109.5° |
| H48 | C25 | H49 | 109.5° | 109.5° |
| P1 | O8 | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H45 | 120.3° | 120.0° |
| C25 | C24 | C23 | H46 | 120.3° | 120.0° |
| C25 | C24 | C23 | C22 | 153.0° | 180.0° |
| C25 | C24 | C23 | H43 | 86.8° | 60.0° |
| C25 | C24 | C23 | H44 | 32.8° | 60.0° |
| C25 | C24 | H45 | H46 | 119.1° | 120.0° |
| C24 | C25 | H47 | H48 | 120.0° | 120.0° |
| C24 | C25 | H47 | H49 | 120.0° | 120.0° |
| C24 | C25 | H48 | H49 | 120.0° | 120.0° |
| O7 | P1 | O6 | O5 | 149.9° | 120.0° |
| O7 | P1 | O6 | O8 | 105.2° | 120.0° |
| O7 | P1 | O5 | O8 | 96.6° | 120.0° |
| O7 | P1 | O5 | C21 | 87.4° | 65.0° |
| O7 | P1 | O8 | H2 | 121.8° | 60.0° |
| C24 | C23 | C22 | H43 | 120.2° | 120.0° |
| C24 | C23 | C22 | H44 | 120.2° | 120.0° |
| C24 | C23 | C22 | C1 | 169.0° | 180.0° |
| C24 | C23 | C22 | H41 | 70.7° | 60.0° |
| C24 | C23 | C22 | H42 | 48.6° | 60.0° |
| C24 | C23 | H43 | H44 | 119.4° | 120.0° |
| C23 | C24 | H45 | H46 | 119.1° | 120.0° |
| C23 | C24 | C25 | H47 | 180.0° | 60.0° |
| C23 | C24 | C25 | H48 | 60.0° | 180.0° |
| C23 | C24 | C25 | H49 | 60.0° | 60.0° |
| C23 | C22 | C1 | H41 | 120.3° | 120.0° |
| C23 | C22 | C1 | H42 | 120.4° | 120.0° |
| C23 | C22 | C1 | C2 | 177.7° | 180.0° |
| C23 | C22 | C1 | H39 | 60.9° | 60.0° |
| C23 | C22 | C1 | H40 | 56.2° | 60.0° |
| C23 | C22 | H41 | H42 | 119.0° | 120.1° |
| C22 | C23 | H43 | H44 | 119.4° | 120.1° |
| C22 | C23 | C24 | H45 | 32.7° | 60.0° |
| C22 | C23 | C24 | H46 | 86.7° | 60.0° |
| O6 | P1 | O5 | O8 | 113.3° | 120.1° |
| O6 | P1 | O5 | C21 | 62.8° | 54.9° |
| O6 | P1 | O7 | H1 | 0.0° | 180.0° |
| O6 | P1 | O8 | H2 | 0.0° | 59.9° |
| P1 | O5 | C21 | C18 | 160.7° | 180.0° |
| O5 | P1 | O7 | H1 | 149.6° | 60.0° |
| P1 | O5 | C21 | H3 | 79.2° | 60.0° |
| P1 | O5 | C21 | H4 | 40.7° | 60.1° |
| O5 | P1 | O8 | H2 | 120.2° | 180.0° |
| C22 | C1 | C2 | H39 | 121.4° | 120.0° |
| C22 | C1 | C2 | H40 | 121.4° | 120.0° |
| C22 | C1 | C2 | C3 | 147.4° | 180.0° |
| C22 | C1 | C2 | H37 | 91.1° | 60.0° |
| C22 | C1 | C2 | H38 | 25.8° | 60.0° |
| C22 | C1 | H39 | H40 | 115.3° | 120.0° |
| C1 | C22 | H41 | H42 | 119.0° | 120.0° |
| C1 | C22 | C23 | H43 | 48.8° | 60.0° |
| C1 | C22 | C23 | H44 | 70.8° | 60.0° |
| C1 | C2 | C3 | H37 | 121.6° | 120.0° |
| C1 | C2 | C3 | H38 | 121.5° | 120.0° |
| C1 | C2 | C3 | C4 | 75.8° | 180.0° |
| C1 | C2 | C3 | H35 | 44.5° | 60.0° |
| C1 | C2 | C3 | H36 | 163.9° | 59.9° |
| C1 | C2 | H37 | H38 | 115.0° | 120.0° |
| C2 | C1 | H39 | H40 | 115.4° | 120.0° |
| C2 | C1 | C22 | H41 | 57.3° | 60.0° |
| C2 | C1 | C22 | H42 | 62.0° | 59.9° |
| C20 | C18 | C19 | C21 | 118.9° | 120.0° |
| C20 | C18 | C19 | C17 | 120.0° | 120.0° |
| C20 | C18 | C21 | O5 | 149.0° | 60.0° |
| C20 | C18 | C21 | C17 | 118.1° | 120.0° |
| C20 | C18 | C17 | C16 | 91.6° | 65.4° |
| C20 | C18 | C17 | O4 | 143.9° | 174.6° |
| C20 | C18 | C21 | H3 | 90.9° | 60.0° |
| C20 | C18 | C21 | H4 | 28.9° | 180.0° |
| C20 | C18 | C19 | H5 | 180.0° | 54.7° |
| C20 | C18 | C19 | H6 | 60.0° | 65.3° |
| C20 | C18 | C19 | H7 | 60.0° | 174.7° |
| C18 | C20 | H8 | H9 | 120.0° | 120.0° |
| C18 | C20 | H8 | H10 | 120.0° | 120.0° |
| C18 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C18 | C17 | H11 | 26.3° | 54.7° |
| C19 | C18 | C21 | O5 | 29.8° | 60.0° |
| C19 | C18 | C21 | C17 | 122.8° | 120.0° |
| C19 | C18 | C17 | C16 | 29.1° | 174.6° |
| C19 | C18 | C17 | O4 | 95.5° | 54.6° |
| C19 | C18 | C21 | H3 | 149.9° | 180.0° |
| C19 | C18 | C21 | H4 | 90.3° | 60.0° |
| C18 | C19 | H5 | H6 | 120.0° | 120.0° |
| C18 | C19 | H5 | H7 | 120.0° | 120.0° |
| C18 | C19 | H6 | H7 | 120.0° | 120.0° |
| C19 | C18 | C20 | H8 | 180.0° | 172.9° |
| C19 | C18 | C20 | H9 | 60.0° | 67.1° |
| C19 | C18 | C20 | H10 | 60.0° | 52.9° |
| C19 | C18 | C17 | H11 | 147.0° | 65.3° |
| O5 | C21 | C18 | H3 | 120.1° | 120.0° |
| O5 | C21 | C18 | H4 | 120.1° | 120.0° |
| O5 | C21 | C18 | C17 | 93.0° | 180.0° |
| O5 | C21 | H3 | H4 | 119.7° | 120.0° |
| C21 | O5 | P1 | O8 | 176.1° | 175.0° |
| C21 | C18 | C17 | C16 | 150.0° | 54.6° |
| C21 | C18 | C17 | O4 | 25.4° | 65.4° |
| C18 | C21 | H3 | H4 | 119.7° | 120.0° |
| C21 | C18 | C19 | H5 | 61.1° | 65.3° |
| C21 | C18 | C19 | H6 | 179.0° | 174.6° |
| C21 | C18 | C19 | H7 | 59.0° | 54.7° |
| C21 | C18 | C20 | H8 | 61.0° | 52.9° |
| C21 | C18 | C20 | H9 | 59.0° | 172.9° |
| C21 | C18 | C20 | H10 | 179.0° | 67.1° |
| C21 | C18 | C17 | H11 | 92.1° | 174.7° |
| C2 | C3 | C4 | H35 | 120.3° | 120.0° |
| C2 | C3 | C4 | H36 | 120.3° | 120.1° |
| C2 | C3 | C4 | C5 | 68.8° | 180.0° |
| C2 | C3 | C4 | H33 | 51.5° | 60.0° |
| C2 | C3 | C4 | H34 | 170.9° | 60.0° |
| C2 | C3 | H35 | H36 | 119.1° | 120.0° |
| C3 | C2 | H37 | H38 | 115.0° | 119.9° |
| C3 | C2 | C1 | H39 | 25.9° | 60.0° |
| C3 | C2 | C1 | H40 | 91.2° | 60.0° |
| C3 | C4 | C5 | H33 | 120.3° | 120.0° |
| C3 | C4 | C5 | H34 | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 164.6° | 180.0° |
| C3 | C4 | C5 | H31 | 75.2° | 60.0° |
| C3 | C4 | C5 | H32 | 44.5° | 60.0° |
| C3 | C4 | H33 | H34 | 119.1° | 120.0° |
| C4 | C3 | H35 | H36 | 119.1° | 120.0° |
| C4 | C3 | C2 | H37 | 162.6° | 60.0° |
| C4 | C3 | C2 | H38 | 45.8° | 60.0° |
| C18 | C17 | C16 | O4 | 124.7° | 120.0° |
| C18 | C17 | C16 | H11 | 117.7° | 120.0° |
| C18 | C17 | O4 | H11 | 116.7° | 120.0° |
| C18 | C17 | C16 | O3 | 45.0° | 106.2° |
| C18 | C17 | C16 | N2 | 135.9° | 73.9° |
| C17 | C18 | C21 | H3 | 27.1° | 60.0° |
| C17 | C18 | C21 | H4 | 146.9° | 60.0° |
| C17 | C18 | C19 | H5 | 59.9° | 174.7° |
| C17 | C18 | C19 | H6 | 60.0° | 54.6° |
| C17 | C18 | C19 | H7 | 180.0° | 65.3° |
| C17 | C18 | C20 | H8 | 57.6° | 67.1° |
| C17 | C18 | C20 | H9 | 177.6° | 52.9° |
| C17 | C18 | C20 | H10 | 62.4° | 172.9° |
| C18 | C17 | O4 | H12 | 180.0° | 60.1° |
| C4 | C5 | C6 | H31 | 120.2° | 120.0° |
| C4 | C5 | C6 | H32 | 120.2° | 120.0° |
| C4 | C5 | C6 | C7 | 150.1° | 180.0° |
| C4 | C5 | C6 | H29 | 29.7° | 60.0° |
| C4 | C5 | C6 | H30 | 89.6° | 60.0° |
| C4 | C5 | H31 | H32 | 119.5° | 120.0° |
| C5 | C4 | H33 | H34 | 119.1° | 120.0° |
| C5 | C4 | C3 | H35 | 170.9° | 60.0° |
| C5 | C4 | C3 | H36 | 51.5° | 59.9° |
| O1 | C10 | C9 | C8 | 156.0° | 0.0° |
| O1 | C10 | C9 | S1 | 172.0° | 180.0° |
| O1 | C10 | S1 | C11 | 11.7° | 0.0° |
| O1 | C10 | C9 | H23 | 35.7° | 120.0° |
| O1 | C10 | C9 | H24 | 83.6° | 120.0° |
| C8 | C9 | C10 | H23 | 120.3° | 120.0° |
| C8 | C9 | C10 | H24 | 120.4° | 120.0° |
| C9 | C8 | C7 | C6 | 92.2° | 180.0° |
| C9 | C8 | C7 | H25 | 120.3° | 120.0° |
| C9 | C8 | C7 | H26 | 120.3° | 120.0° |
| C8 | C9 | C10 | S1 | 31.9° | 180.0° |
| C8 | C9 | H23 | H24 | 118.9° | 120.1° |
| C9 | C8 | H25 | H26 | 119.2° | 120.1° |
| C9 | C8 | C7 | H27 | 28.1° | 60.0° |
| C9 | C8 | C7 | H28 | 147.6° | 60.0° |
| C10 | C9 | C8 | C7 | 121.5° | 180.0° |
| C9 | C10 | S1 | C11 | 176.3° | 180.0° |
| C10 | C9 | H23 | H24 | 118.9° | 120.0° |
| C10 | C9 | C8 | H25 | 118.2° | 60.0° |
| C10 | C9 | C8 | H26 | 1.2° | 60.0° |
| C5 | C6 | C7 | H29 | 120.3° | 119.9° |
| C5 | C6 | C7 | H30 | 120.3° | 120.0° |
| C5 | C6 | C7 | C8 | 109.2° | 180.0° |
| C5 | C6 | C7 | H27 | 130.5° | 60.0° |
| C5 | C6 | C7 | H28 | 11.1° | 60.0° |
| C5 | C6 | H29 | H30 | 119.1° | 120.0° |
| C6 | C5 | H31 | H32 | 119.4° | 120.0° |
| C6 | C5 | C4 | H33 | 44.3° | 60.0° |
| C6 | C5 | C4 | H34 | 75.1° | 60.0° |
| C6 | C7 | C8 | H27 | 120.3° | 119.9° |
| C6 | C7 | C8 | H28 | 120.3° | 120.0° |
| C6 | C7 | C8 | H25 | 28.1° | 60.0° |
| C6 | C7 | C8 | H26 | 147.6° | 60.0° |
| C6 | C7 | H27 | H28 | 119.2° | 120.1° |
| C7 | C6 | H29 | H30 | 119.1° | 120.1° |
| C7 | C6 | C5 | H31 | 89.8° | 60.0° |
| C7 | C6 | C5 | H32 | 29.9° | 60.0° |
| C7 | C8 | C9 | H23 | 118.1° | 60.0° |
| C7 | C8 | C9 | H24 | 1.1° | 60.0° |
| C7 | C8 | H25 | H26 | 119.2° | 120.0° |
| C8 | C7 | H27 | H28 | 119.2° | 120.0° |
| C8 | C7 | C6 | H29 | 11.1° | 60.1° |
| C8 | C7 | C6 | H30 | 130.5° | 60.0° |
| C16 | C17 | O4 | H11 | 116.9° | 120.0° |
| C17 | C16 | O3 | N2 | 179.1° | 179.9° |
| C17 | C16 | N2 | C15 | 179.7° | 175.1° |
| C16 | C17 | O4 | H12 | 53.6° | 60.0° |
| C17 | C16 | N2 | H13 | 0.3° | 5.0° |
| O4 | C17 | C16 | O3 | 79.7° | 13.8° |
| O4 | C17 | C16 | N2 | 99.4° | 166.1° |
| C10 | S1 | C11 | C12 | 31.6° | 180.0° |
| C10 | S1 | C11 | H21 | 151.8° | 60.0° |
| C10 | S1 | C11 | H22 | 88.5° | 60.0° |
| S1 | C10 | C9 | H23 | 152.3° | 60.0° |
| S1 | C10 | C9 | H24 | 88.5° | 60.0° |
| O3 | C16 | N2 | C15 | 0.6° | 4.9° |
| O3 | C16 | C17 | H11 | 162.8° | 133.8° |
| O3 | C16 | N2 | H13 | 179.4° | 175.0° |
| C16 | N2 | C15 | C14 | 80.0° | 180.0° |
| C16 | N2 | C15 | H13 | 180.0° | 179.9° |
| N2 | C16 | C17 | H11 | 18.1° | 46.2° |
| C16 | N2 | C15 | H14 | 160.6° | 59.9° |
| C16 | N2 | C15 | H15 | 39.5° | 60.0° |
| N1 | C12 | C11 | H19 | 119.6° | 120.0° |
| N1 | C12 | C11 | H20 | 119.6° | 119.9° |
| C12 | N1 | C13 | H18 | 180.0° | 179.9° |
| C12 | N1 | C13 | O2 | 1.0° | 0.1° |
| C12 | N1 | C13 | C14 | 178.6° | 180.0° |
| N1 | C12 | C11 | S1 | 143.4° | 180.0° |
| N1 | C12 | H19 | H20 | 121.3° | 120.0° |
| N1 | C12 | C11 | H21 | 23.2° | 60.0° |
| N1 | C12 | C11 | H22 | 96.5° | 60.0° |
| C11 | C12 | N1 | C13 | 105.3° | 180.0° |
| C12 | C11 | S1 | H21 | 120.1° | 120.0° |
| C12 | C11 | S1 | H22 | 120.1° | 120.0° |
| C11 | C12 | N1 | H18 | 74.7° | 0.0° |
| C11 | C12 | H19 | H20 | 121.3° | 120.0° |
| C12 | C11 | H21 | H22 | 119.6° | 120.0° |
| N1 | C13 | O2 | C14 | 179.6° | 179.9° |
| N1 | C13 | C14 | C15 | 148.6° | 180.0° |
| N1 | C13 | C14 | H16 | 28.3° | 60.0° |
| N1 | C13 | C14 | H17 | 91.1° | 59.9° |
| C13 | N1 | C12 | H19 | 14.3° | 60.0° |
| C13 | N1 | C12 | H20 | 135.2° | 60.0° |
| O2 | C13 | C14 | C15 | 31.9° | 0.1° |
| O2 | C13 | C14 | H16 | 152.2° | 120.1° |
| O2 | C13 | C14 | H17 | 88.4° | 120.0° |
| O2 | C13 | N1 | H18 | 179.0° | 180.0° |
| C13 | C14 | C15 | H16 | 120.3° | 120.0° |
| C13 | C14 | C15 | H17 | 120.3° | 120.0° |
| C13 | C14 | C15 | N2 | 69.3° | 180.0° |
| C13 | C14 | C15 | H14 | 50.1° | 60.0° |
| C13 | C14 | C15 | H15 | 171.2° | 60.0° |
| C13 | C14 | H16 | H17 | 119.1° | 119.9° |
| C14 | C13 | N1 | H18 | 1.4° | 0.1° |
| C14 | C15 | N2 | H14 | 119.4° | 120.0° |
| C14 | C15 | N2 | H15 | 119.5° | 120.0° |
| C14 | C15 | N2 | H13 | 100.1° | 0.0° |
| C14 | C15 | H14 | H15 | 121.5° | 120.0° |
| C15 | C14 | H16 | H17 | 119.1° | 120.0° |
| N2 | C15 | H14 | H15 | 121.6° | 119.9° |
| N2 | C15 | C14 | H16 | 170.4° | 60.0° |
| N2 | C15 | C14 | H17 | 51.0° | 60.0° |
| S1 | C11 | C12 | H19 | 97.1° | 60.0° |
| S1 | C11 | C12 | H20 | 23.8° | 60.0° |
| S1 | C11 | H21 | H22 | 119.6° | 120.0° |
| H1 | O7 | P1 | O8 | 113.6° | 60.0° |
| H5 | C19 | H6 | H7 | 120.0° | 120.0° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H11 | C17 | O4 | H12 | 63.3° | 180.0° |
| H13 | N2 | C15 | H14 | 19.4° | 120.0° |
| H13 | N2 | C15 | H15 | 140.4° | 120.1° |
| H14 | C15 | C14 | H16 | 70.2° | 180.0° |
| H14 | C15 | C14 | H17 | 170.4° | 60.0° |
| H15 | C15 | C14 | H16 | 50.9° | 60.0° |
| H15 | C15 | C14 | H17 | 68.5° | 180.0° |
| H18 | N1 | C12 | H19 | 165.7° | 120.0° |
| H18 | N1 | C12 | H20 | 44.9° | 119.9° |
| H19 | C12 | C11 | H21 | 142.8° | 180.0° |
| H19 | C12 | C11 | H22 | 23.0° | 60.0° |
| H20 | C12 | C11 | H21 | 96.4° | 60.0° |
| H20 | C12 | C11 | H22 | 143.9° | 180.0° |
| H23 | C9 | C8 | H25 | 2.1° | 180.0° |
| H23 | C9 | C8 | H26 | 121.6° | 59.9° |
| H24 | C9 | C8 | H25 | 121.4° | 60.0° |
| H24 | C9 | C8 | H26 | 119.2° | 180.0° |
| H25 | C8 | C7 | H27 | 148.4° | 179.9° |
| H25 | C8 | C7 | H28 | 92.2° | 60.0° |
| H26 | C8 | C7 | H27 | 92.2° | 60.0° |
| H26 | C8 | C7 | H28 | 27.3° | 180.0° |
| H27 | C7 | C6 | H29 | 109.1° | 180.0° |
| H27 | C7 | C6 | H30 | 10.2° | 60.0° |
| H28 | C7 | C6 | H29 | 131.4° | 59.9° |
| H28 | C7 | C6 | H30 | 109.2° | 180.0° |
| H29 | C6 | C5 | H31 | 149.9° | 180.0° |
| H29 | C6 | C5 | H32 | 90.4° | 60.0° |
| H30 | C6 | C5 | H31 | 30.6° | 60.0° |
| H30 | C6 | C5 | H32 | 150.2° | 180.0° |
| H31 | C5 | C4 | H33 | 164.5° | 180.0° |
| H31 | C5 | C4 | H34 | 45.1° | 60.0° |
| H32 | C5 | C4 | H33 | 75.8° | 60.0° |
| H32 | C5 | C4 | H34 | 164.7° | 180.0° |
| H33 | C4 | C3 | H35 | 68.8° | 180.0° |
| H33 | C4 | C3 | H36 | 171.8° | 60.1° |
| H34 | C4 | C3 | H35 | 50.6° | 60.0° |
| H34 | C4 | C3 | H36 | 68.8° | 179.9° |
| H35 | C3 | C2 | H37 | 77.1° | 180.0° |
| H35 | C3 | C2 | H38 | 166.0° | 60.0° |
| H36 | C3 | C2 | H37 | 42.4° | 60.1° |
| H36 | C3 | C2 | H38 | 74.5° | 180.0° |
| H37 | C2 | C1 | H39 | 147.5° | 180.0° |
| H37 | C2 | C1 | H40 | 30.4° | 60.0° |
| H38 | C2 | C1 | H39 | 95.6° | 60.0° |
| H38 | C2 | C1 | H40 | 147.3° | 180.0° |
| H39 | C1 | C22 | H41 | 178.8° | 180.0° |
| H39 | C1 | C22 | H42 | 59.5° | 60.0° |
| H40 | C1 | C22 | H41 | 64.1° | 60.0° |
| H40 | C1 | C22 | H42 | 176.6° | 180.0° |
| H41 | C22 | C23 | H43 | 169.1° | 180.0° |
| H41 | C22 | C23 | H44 | 49.5° | 59.9° |
| H42 | C22 | C23 | H43 | 71.6° | 60.0° |
| H42 | C22 | C23 | H44 | 168.8° | 180.0° |
| H43 | C23 | C24 | H45 | 152.9° | 180.0° |
| H43 | C23 | C24 | H46 | 33.5° | 60.0° |
| H44 | C23 | C24 | H45 | 87.5° | 60.0° |
| H44 | C23 | C24 | H46 | 153.1° | 180.0° |
| H45 | C24 | C25 | H47 | 59.7° | 60.0° |
| H45 | C24 | C25 | H48 | 60.3° | 60.1° |
| H45 | C24 | C25 | H49 | 179.7° | 180.0° |
| H46 | C24 | C25 | H47 | 59.7° | NaN° |
| H46 | C24 | C25 | H48 | 179.7° | 60.0° |
| H46 | C24 | C25 | H49 | 60.3° | 60.0° |
| H47 | C25 | H48 | H49 | 120.1° | 120.0° |
