EHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | P1 | sing | 1.61Å | 1.52Å | |
| O9 | P1 | doub | 1.48Å | 1.52Å | |
| P1 | O6 | sing | 1.61Å | 1.62Å | |
| O6 | C20 | sing | 1.43Å | 1.45Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| O5 | C16 | sing | 1.43Å | 1.42Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C15 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| N1 | C11 | sing | 1.47Å | 1.45Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| O2 | C9 | doub | 1.21Å | 1.21Å | |
| C10 | S1 | sing | 1.81Å | 1.81Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| C9 | S1 | sing | 1.71Å | 1.76Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C1 | C21 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å | |
| N2 | H40 | sing | 0.97Å | 1.00Å | |
| O5 | H41 | sing | 0.97Å | 0.95Å | |
| O7 | H42 | sing | 0.97Å | 0.95Å | |
| P1 | OP3 | sing | 1.61Å | 1.57Å | |
| C22 | C23 | sing | 1.53Å | 440.03Å | |
| C23 | C24 | sing | 1.53Å | 0.00Å | |
| C24 | C25 | sing | 1.53Å | 0.00Å | |
| OP3 | H44 | sing | 0.97Å | 0.95Å | |
| C23 | H45 | sing | 1.09Å | 0.00Å | |
| C23 | H46 | sing | 1.09Å | 0.00Å | |
| C24 | H47 | sing | 1.09Å | 0.00Å | |
| C24 | H48 | sing | 1.09Å | 0.00Å | |
| C25 | H49 | sing | 1.09Å | 0.00Å | |
| C25 | H50 | sing | 1.09Å | 0.00Å | |
| C25 | H51 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | P1 | O9 | 112.6° | 109.5° |
| O7 | P1 | O6 | 105.9° | 109.5° |
| P1 | O7 | H42 | 109.5° | 114.0° |
| O7 | P1 | OP3 | 109.9° | 109.5° |
| O9 | P1 | O6 | 105.6° | 109.5° |
| O9 | P1 | OP3 | 108.3° | 109.4° |
| P1 | O6 | C20 | 117.7° | 123.0° |
| O6 | P1 | OP3 | 114.5° | 109.4° |
| O6 | C20 | C17 | 109.9° | 109.5° |
| O6 | C20 | H32 | 109.4° | 109.4° |
| O6 | C20 | H33 | 109.4° | 109.5° |
| C20 | C17 | C19 | 109.6° | 109.5° |
| C20 | C17 | C16 | 108.1° | 109.5° |
| C20 | C17 | C18 | 109.8° | 109.5° |
| C17 | C20 | H32 | 109.4° | 109.5° |
| C17 | C20 | H33 | 109.4° | 109.5° |
| O5 | C16 | C17 | 108.4° | 109.5° |
| O5 | C16 | C15 | 109.4° | 109.5° |
| O5 | C16 | H25 | 108.7° | 109.5° |
| C16 | O5 | H41 | 109.5° | 114.0° |
| C19 | C17 | C16 | 110.1° | 109.5° |
| C19 | C17 | C18 | 109.0° | 109.4° |
| C17 | C19 | H29 | 109.5° | 109.5° |
| C17 | C19 | H30 | 109.4° | 109.5° |
| C17 | C19 | H31 | 109.5° | 109.5° |
| C16 | C17 | C18 | 110.2° | 109.5° |
| C17 | C16 | C15 | 115.8° | 109.5° |
| C17 | C16 | H25 | 107.2° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C17 | C18 | H27 | 109.4° | 109.5° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| C16 | C15 | O4 | 119.9° | 120.0° |
| C16 | C15 | N2 | 117.0° | 120.0° |
| C15 | C16 | H25 | 107.3° | 109.5° |
| O4 | C15 | N2 | 123.0° | 120.0° |
| C15 | N2 | C14 | 123.3° | 120.0° |
| C15 | N2 | H40 | 118.4° | 120.0° |
| N2 | C14 | C13 | 113.1° | 109.5° |
| N2 | C14 | H23 | 108.5° | 109.5° |
| N2 | C14 | H24 | 108.6° | 109.5° |
| C14 | N2 | H40 | 118.4° | 120.0° |
| C14 | C13 | C12 | 109.5° | 109.5° |
| C14 | C13 | H21 | 109.5° | 109.4° |
| C14 | C13 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 108.6° | 109.4° |
| C13 | C14 | H24 | 108.6° | 109.5° |
| C13 | C12 | N1 | 118.0° | 120.0° |
| C13 | C12 | O3 | 120.5° | 120.0° |
| C12 | C13 | H21 | 109.5° | 109.4° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C12 | N1 | C11 | 122.2° | 120.0° |
| N1 | C12 | O3 | 121.5° | 120.0° |
| C12 | N1 | H39 | 118.9° | 120.0° |
| N1 | C11 | C10 | 111.6° | 109.4° |
| N1 | C11 | H19 | 108.9° | 109.4° |
| N1 | C11 | H20 | 108.9° | 109.5° |
| C11 | N1 | H39 | 118.9° | 120.0° |
| C11 | C10 | S1 | 115.4° | 109.5° |
| C11 | C10 | H17 | 108.0° | 109.5° |
| C11 | C10 | H18 | 108.0° | 109.4° |
| C10 | C11 | H19 | 109.0° | 109.5° |
| C10 | C11 | H20 | 108.9° | 109.5° |
| O2 | C9 | S1 | 123.2° | 120.0° |
| O2 | C9 | C8 | 123.6° | 120.0° |
| C10 | S1 | C9 | 101.8° | 100.0° |
| S1 | C10 | H17 | 107.9° | 109.5° |
| S1 | C10 | H18 | 108.0° | 109.5° |
| C6 | C7 | C8 | 115.3° | 109.5° |
| C6 | C7 | O1 | 110.1° | 109.5° |
| C7 | C6 | C5 | 115.7° | 109.5° |
| C7 | C6 | H12 | 107.9° | 109.4° |
| C7 | C6 | H13 | 107.9° | 109.5° |
| C6 | C7 | H14 | 107.2° | 109.5° |
| C8 | C7 | O1 | 108.5° | 109.5° |
| C7 | C8 | C9 | 112.3° | 109.5° |
| C8 | C7 | H14 | 107.2° | 109.4° |
| C7 | C8 | H15 | 108.8° | 109.5° |
| C7 | C8 | H16 | 108.8° | 109.5° |
| C7 | O1 | H1 | 109.5° | 114.0° |
| O1 | C7 | H14 | 108.4° | 109.4° |
| S1 | C9 | C8 | 113.2° | 120.0° |
| C9 | C8 | H15 | 108.7° | 109.5° |
| C9 | C8 | H16 | 108.8° | 109.5° |
| C6 | C5 | C4 | 114.8° | 109.4° |
| C6 | C5 | H10 | 108.1° | 109.5° |
| C6 | C5 | H11 | 108.1° | 109.5° |
| C5 | C6 | H12 | 107.9° | 109.5° |
| C5 | C6 | H13 | 107.9° | 109.5° |
| C22 | C21 | C1 | 114.3° | 109.5° |
| C22 | C21 | H34 | 108.2° | 109.5° |
| C22 | C21 | H35 | 108.2° | 109.4° |
| C21 | C22 | H36 | 99.3° | 109.4° |
| C21 | C22 | H37 | 99.3° | 109.4° |
| C21 | C22 | C23 | 147.3° | 109.5° |
| C21 | C1 | C2 | 114.6° | 109.5° |
| C21 | C1 | H2 | 108.1° | 109.4° |
| C21 | C1 | H3 | 108.2° | 109.4° |
| C1 | C21 | H34 | 108.3° | 109.5° |
| C1 | C21 | H35 | 108.2° | 109.5° |
| C1 | C2 | C3 | 114.7° | 109.5° |
| C2 | C1 | H2 | 108.2° | 109.5° |
| C2 | C1 | H3 | 108.2° | 109.5° |
| C1 | C2 | H4 | 108.2° | 109.5° |
| C1 | C2 | H5 | 108.2° | 109.5° |
| C2 | C3 | C4 | 113.7° | 109.5° |
| C3 | C2 | H4 | 108.1° | 109.4° |
| C3 | C2 | H5 | 108.1° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C2 | C3 | H7 | 108.4° | 109.5° |
| C3 | C4 | C5 | 115.3° | 109.4° |
| C4 | C3 | H6 | 108.4° | 109.5° |
| C4 | C3 | H7 | 108.4° | 109.5° |
| C3 | C4 | H8 | 108.0° | 109.4° |
| C3 | C4 | H9 | 108.0° | 109.4° |
| C5 | C4 | H8 | 108.0° | 109.5° |
| C5 | C4 | H9 | 108.0° | 109.5° |
| C4 | C5 | H10 | 108.1° | 109.4° |
| C4 | C5 | H11 | 108.1° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.4° | 109.5° |
| H15 | C8 | H16 | 109.5° | 109.4° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.4° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H28 | 109.4° | 109.4° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | C23 | 99.3° | 109.5° |
| H37 | C22 | C23 | 99.3° | 109.5° |
| P1 | OP3 | H44 | 109.5° | 114.0° |
| C22 | C23 | C24 | 90.0° | 109.4° |
| C22 | C23 | H45 | 90.0° | 109.4° |
| C22 | C23 | H46 | 90.0° | 109.5° |
| C23 | C24 | C25 | 90.0° | 109.5° |
| C24 | C23 | H45 | 90.0° | 109.5° |
| C24 | C23 | H46 | 90.0° | 109.5° |
| C23 | C24 | H47 | 90.0° | 109.5° |
| C23 | C24 | H48 | 90.0° | 109.5° |
| C25 | C24 | H47 | 90.0° | 109.4° |
| C25 | C24 | H48 | 90.0° | 109.4° |
| C24 | C25 | H49 | 90.0° | 109.5° |
| C24 | C25 | H50 | 90.0° | 109.5° |
| C24 | C25 | H51 | 90.0° | 109.5° |
| H45 | C23 | H46 | 90.0° | 109.5° |
| H47 | C24 | H48 | 90.0° | 109.4° |
| H49 | C25 | H50 | 90.0° | 109.5° |
| H49 | C25 | H51 | 90.0° | 109.4° |
| H50 | C25 | H51 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P1 | O9 | O6 | 115.1° | 120.1° |
| O7 | P1 | O9 | OP3 | 121.8° | 120.0° |
| O7 | P1 | O6 | OP3 | 121.2° | 120.0° |
| O7 | P1 | O6 | C20 | 73.2° | 65.0° |
| O7 | P1 | OP3 | H44 | 123.4° | 60.0° |
| O9 | P1 | O6 | OP3 | 119.1° | 120.0° |
| O9 | P1 | O6 | C20 | 46.5° | 55.0° |
| O9 | P1 | O7 | H42 | 0.0° | 180.0° |
| O9 | P1 | OP3 | H44 | 0.0° | 60.0° |
| P1 | O6 | C20 | C17 | 166.9° | 180.0° |
| P1 | O6 | C20 | H32 | 73.0° | 60.0° |
| P1 | O6 | C20 | H33 | 46.9° | 59.9° |
| O6 | P1 | O7 | H42 | 114.9° | 59.9° |
| O6 | P1 | OP3 | H44 | 117.5° | 180.0° |
| O6 | C20 | C17 | H32 | 120.0° | 120.0° |
| O6 | C20 | C17 | H33 | 120.1° | 120.0° |
| O6 | C20 | C17 | C19 | 58.8° | 60.0° |
| O6 | C20 | C17 | C16 | 178.8° | 180.0° |
| O6 | C20 | C17 | C18 | 60.9° | 60.0° |
| O6 | C20 | H32 | H33 | 119.8° | 120.0° |
| C20 | O6 | P1 | OP3 | 165.6° | 175.0° |
| C20 | C17 | C16 | O5 | 56.3° | 65.7° |
| C20 | C17 | C19 | C16 | 118.8° | 120.0° |
| C20 | C17 | C19 | C18 | 120.2° | 120.0° |
| C20 | C17 | C16 | C18 | 120.0° | 120.0° |
| C20 | C17 | C16 | C15 | 179.5° | 54.3° |
| C20 | C17 | C16 | H25 | 60.8° | 174.3° |
| C20 | C17 | C18 | H26 | 180.0° | 174.8° |
| C20 | C17 | C18 | H27 | 60.0° | 65.2° |
| C20 | C17 | C18 | H28 | 60.0° | 54.8° |
| C20 | C17 | C19 | H29 | 180.0° | 54.1° |
| C20 | C17 | C19 | H30 | 60.0° | 65.8° |
| C20 | C17 | C19 | H31 | 60.0° | 174.2° |
| C17 | C20 | H32 | H33 | 119.8° | 120.0° |
| O5 | C16 | C17 | C19 | 63.4° | 174.3° |
| O5 | C16 | C17 | C15 | 123.2° | 120.0° |
| O5 | C16 | C17 | H25 | 117.1° | 120.0° |
| O5 | C16 | C17 | C18 | 176.3° | 54.3° |
| O5 | C16 | C15 | H25 | 117.7° | 120.0° |
| O5 | C16 | C15 | O4 | 54.7° | 14.5° |
| O5 | C16 | C15 | N2 | 122.1° | 165.5° |
| C19 | C17 | C16 | C18 | 120.3° | 120.0° |
| C19 | C17 | C16 | C15 | 59.9° | 65.7° |
| C19 | C17 | C16 | H25 | 179.5° | 54.3° |
| C19 | C17 | C18 | H26 | 59.9° | 65.3° |
| C19 | C17 | C18 | H27 | 60.1° | 54.7° |
| C19 | C17 | C18 | H28 | 179.9° | 174.8° |
| C17 | C19 | H29 | H30 | 120.0° | 120.0° |
| C17 | C19 | H29 | H31 | 120.0° | 120.0° |
| C17 | C19 | H30 | H31 | 120.0° | 120.0° |
| C19 | C17 | C20 | H32 | 178.9° | 60.0° |
| C19 | C17 | C20 | H33 | 61.2° | 180.0° |
| C17 | C16 | C15 | H25 | 119.6° | 120.0° |
| C17 | C16 | C15 | O4 | 68.0° | 105.5° |
| C17 | C16 | C15 | N2 | 115.2° | 74.5° |
| C16 | C17 | C18 | H26 | 61.0° | 54.7° |
| C16 | C17 | C18 | H27 | 179.0° | 174.7° |
| C16 | C17 | C18 | H28 | 59.0° | 65.3° |
| C16 | C17 | C19 | H29 | 61.2° | 65.9° |
| C16 | C17 | C19 | H30 | 58.8° | 174.2° |
| C16 | C17 | C19 | H31 | 178.8° | 54.1° |
| C16 | C17 | C20 | H32 | 61.1° | 60.0° |
| C16 | C17 | C20 | H33 | 58.8° | 60.0° |
| C17 | C16 | O5 | H41 | 105.6° | 60.0° |
| C18 | C17 | C16 | C15 | 60.4° | 174.3° |
| C18 | C17 | C16 | H25 | 59.2° | 65.7° |
| C17 | C18 | H26 | H27 | 120.0° | 120.0° |
| C17 | C18 | H26 | H28 | 120.0° | 120.0° |
| C17 | C18 | H27 | H28 | 120.0° | 120.0° |
| C18 | C17 | C19 | H29 | 59.7° | 174.1° |
| C18 | C17 | C19 | H30 | 179.8° | 54.2° |
| C18 | C17 | C19 | H31 | 60.2° | 65.9° |
| C18 | C17 | C20 | H32 | 59.1° | 180.0° |
| C18 | C17 | C20 | H33 | 179.0° | 60.1° |
| C16 | C15 | O4 | N2 | 176.6° | 180.0° |
| C16 | C15 | N2 | C14 | 23.1° | 175.1° |
| C16 | C15 | N2 | H40 | 156.8° | 5.0° |
| C15 | C16 | O5 | H41 | 21.4° | 60.1° |
| O4 | C15 | N2 | C14 | 160.2° | 5.0° |
| O4 | C15 | C16 | H25 | 172.4° | 134.5° |
| O4 | C15 | N2 | H40 | 19.8° | 175.0° |
| C15 | N2 | C14 | H40 | 180.0° | 180.0° |
| C15 | N2 | C14 | C13 | 116.9° | 180.0° |
| C15 | N2 | C14 | H23 | 122.5° | 60.0° |
| C15 | N2 | C14 | H24 | 3.6° | 60.0° |
| N2 | C15 | C16 | H25 | 4.3° | 45.5° |
| N2 | C14 | C13 | H23 | 120.5° | 120.0° |
| N2 | C14 | C13 | H24 | 120.5° | 120.1° |
| N2 | C14 | C13 | C12 | 165.2° | 180.0° |
| N2 | C14 | C13 | H21 | 74.7° | 60.0° |
| N2 | C14 | C13 | H22 | 45.2° | 59.9° |
| N2 | C14 | H23 | H24 | 118.3° | 120.0° |
| C14 | C13 | C12 | H21 | 120.0° | 120.0° |
| C14 | C13 | C12 | H22 | 120.0° | 120.1° |
| C14 | C13 | C12 | N1 | 173.3° | 180.0° |
| C14 | C13 | C12 | O3 | 8.9° | 0.0° |
| C14 | C13 | H21 | H22 | 120.0° | 120.0° |
| C13 | C14 | H23 | H24 | 118.4° | 120.0° |
| C13 | C14 | N2 | H40 | 63.0° | 0.0° |
| C13 | C12 | N1 | O3 | 177.8° | 180.0° |
| C13 | C12 | N1 | C11 | 165.9° | 179.9° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| C12 | C13 | C14 | H23 | 44.7° | 60.0° |
| C12 | C13 | C14 | H24 | 74.2° | 60.0° |
| C13 | C12 | N1 | H39 | 14.0° | 0.0° |
| C12 | N1 | C11 | H39 | 180.0° | 179.9° |
| C12 | N1 | C11 | C10 | 69.7° | 180.0° |
| C12 | N1 | C11 | H19 | 50.6° | 60.0° |
| C12 | N1 | C11 | H20 | 170.0° | 60.0° |
| N1 | C12 | C13 | H21 | 53.3° | 60.0° |
| N1 | C12 | C13 | H22 | 66.7° | 60.0° |
| C11 | N1 | C12 | O3 | 11.8° | 0.0° |
| N1 | C11 | C10 | H19 | 120.3° | 119.9° |
| N1 | C11 | C10 | H20 | 120.3° | 120.1° |
| N1 | C11 | C10 | S1 | 140.7° | 180.0° |
| N1 | C11 | C10 | H17 | 98.5° | 60.0° |
| N1 | C11 | C10 | H18 | 19.8° | 60.0° |
| N1 | C11 | H19 | H20 | 119.0° | 120.0° |
| O3 | C12 | C13 | H21 | 128.9° | 120.0° |
| O3 | C12 | C13 | H22 | 111.1° | 120.1° |
| O3 | C12 | N1 | H39 | 168.2° | 179.9° |
| C11 | C10 | S1 | H17 | 120.9° | 120.0° |
| C11 | C10 | S1 | H18 | 120.9° | 120.0° |
| C11 | C10 | S1 | C9 | 60.0° | 180.0° |
| C11 | C10 | H17 | H18 | 117.3° | 120.0° |
| C10 | C11 | H19 | H20 | 119.1° | 120.0° |
| C10 | C11 | N1 | H39 | 110.3° | 0.1° |
| O2 | C9 | S1 | C10 | 8.1° | 0.0° |
| O2 | C9 | C8 | C7 | 2.3° | 0.0° |
| O2 | C9 | S1 | C8 | 178.9° | 180.0° |
| O2 | C9 | C8 | H15 | 122.8° | 120.1° |
| O2 | C9 | C8 | H16 | 118.1° | 120.0° |
| C10 | S1 | C9 | C8 | 170.8° | 180.0° |
| S1 | C10 | H17 | H18 | 117.3° | 120.0° |
| S1 | C10 | C11 | H19 | 20.4° | 60.1° |
| S1 | C10 | C11 | H20 | 99.0° | 60.0° |
| C6 | C7 | C8 | O1 | 123.9° | 120.0° |
| C6 | C7 | C8 | H14 | 119.2° | 120.0° |
| C6 | C7 | O1 | H14 | 116.9° | 120.0° |
| C6 | C7 | C8 | C9 | 166.6° | 175.0° |
| C7 | C6 | C5 | H12 | 120.9° | 119.9° |
| C7 | C6 | C5 | H13 | 120.9° | 120.0° |
| C7 | C6 | C5 | C4 | 154.7° | 180.0° |
| C6 | C7 | O1 | H1 | 179.1° | 60.0° |
| C7 | C6 | C5 | H10 | 33.9° | 60.1° |
| C7 | C6 | C5 | H11 | 84.5° | 60.0° |
| C7 | C6 | H12 | H13 | 117.2° | 120.0° |
| C6 | C7 | C8 | H15 | 46.2° | 55.0° |
| C6 | C7 | C8 | H16 | 73.0° | 65.0° |
| C8 | C7 | O1 | H14 | 116.1° | 119.9° |
| C7 | C8 | C9 | S1 | 176.6° | 180.0° |
| C7 | C8 | C9 | H15 | 120.4° | 120.0° |
| C7 | C8 | C9 | H16 | 120.4° | 120.0° |
| C8 | C7 | C6 | C5 | 67.0° | 175.0° |
| C8 | C7 | O1 | H1 | 53.9° | 60.0° |
| C8 | C7 | C6 | H12 | 54.0° | 55.0° |
| C8 | C7 | C6 | H13 | 172.1° | 65.0° |
| C7 | C8 | H15 | H16 | 118.7° | 120.0° |
| O1 | C7 | C8 | C9 | 69.5° | 65.0° |
| O1 | C7 | C6 | C5 | 56.2° | 65.0° |
| O1 | C7 | C6 | H12 | 177.1° | 175.0° |
| O1 | C7 | C6 | H13 | 64.7° | 55.1° |
| O1 | C7 | C8 | H15 | 170.1° | 175.0° |
| O1 | C7 | C8 | H16 | 51.0° | 55.1° |
| S1 | C9 | C8 | H15 | 56.1° | 60.0° |
| S1 | C9 | C8 | H16 | 63.0° | 59.9° |
| C9 | S1 | C10 | H17 | 60.8° | 60.0° |
| C9 | S1 | C10 | H18 | 179.1° | 60.0° |
| C9 | C8 | C7 | H14 | 47.4° | 55.0° |
| C9 | C8 | H15 | H16 | 118.7° | 120.0° |
| C6 | C5 | C4 | C3 | 63.7° | 180.0° |
| C6 | C5 | C4 | H10 | 120.8° | 119.9° |
| C6 | C5 | C4 | H11 | 120.8° | 120.0° |
| C6 | C5 | C4 | H8 | 175.4° | 60.1° |
| C6 | C5 | C4 | H9 | 57.1° | 60.0° |
| C6 | C5 | H10 | H11 | 117.5° | 120.1° |
| C5 | C6 | H12 | H13 | 117.1° | 120.1° |
| C5 | C6 | C7 | H14 | 173.8° | 55.0° |
| C22 | C21 | C1 | H34 | 120.7° | 120.0° |
| C22 | C21 | C1 | H35 | 120.7° | 120.0° |
| C22 | C21 | C1 | C2 | 62.8° | 180.0° |
| C22 | C21 | C1 | H2 | 58.0° | 60.0° |
| C22 | C21 | C1 | H3 | 176.5° | 60.0° |
| C22 | C21 | H34 | H35 | 117.8° | 119.9° |
| C21 | C22 | H36 | H37 | 103.5° | 119.9° |
| C21 | C22 | H36 | C23 | 153.1° | 120.0° |
| C21 | C22 | H37 | C23 | 153.1° | 120.0° |
| C21 | C22 | C23 | C24 | 90.0° | 180.0° |
| C21 | C22 | C23 | H45 | 90.0° | 60.0° |
| C21 | C22 | C23 | H46 | 90.0° | 60.0° |
| C21 | C1 | C2 | H2 | 120.7° | 119.9° |
| C21 | C1 | C2 | H3 | 120.7° | 120.0° |
| C21 | C1 | C2 | C3 | 179.4° | 180.0° |
| C21 | C1 | H2 | H3 | 117.6° | 119.9° |
| C21 | C1 | C2 | H4 | 58.6° | 60.0° |
| C21 | C1 | C2 | H5 | 59.9° | 60.1° |
| C1 | C21 | H34 | H35 | 117.8° | 120.0° |
| C1 | C21 | C22 | H36 | 126.6° | 60.0° |
| C1 | C21 | C22 | H37 | 121.8° | 60.0° |
| C1 | C21 | C22 | C23 | 2.4° | 180.0° |
| C1 | C2 | C3 | H4 | 120.8° | 120.1° |
| C1 | C2 | C3 | H5 | 120.8° | 120.0° |
| C1 | C2 | C3 | C4 | 175.2° | 180.0° |
| C2 | C1 | H2 | H3 | 117.7° | 120.1° |
| C1 | C2 | H4 | H5 | 117.7° | 120.1° |
| C1 | C2 | C3 | H6 | 64.2° | 60.0° |
| C1 | C2 | C3 | H7 | 54.6° | 60.0° |
| C2 | C1 | C21 | H34 | 176.6° | 60.0° |
| C2 | C1 | C21 | H35 | 57.9° | 60.0° |
| C2 | C3 | C4 | H6 | 120.7° | 120.0° |
| C2 | C3 | C4 | H7 | 120.6° | 120.1° |
| C2 | C3 | C4 | C5 | 179.2° | 180.0° |
| C3 | C2 | C1 | H2 | 59.9° | 60.1° |
| C3 | C2 | C1 | H3 | 58.6° | 60.0° |
| C3 | C2 | H4 | H5 | 117.6° | 119.9° |
| C2 | C3 | H6 | H7 | 118.1° | 120.0° |
| C2 | C3 | C4 | H8 | 59.9° | 60.0° |
| C2 | C3 | C4 | H9 | 58.4° | 60.0° |
| C3 | C4 | C5 | H8 | 120.9° | 119.9° |
| C3 | C4 | C5 | H9 | 120.8° | 120.0° |
| C4 | C3 | C2 | H4 | 54.4° | 60.0° |
| C4 | C3 | C2 | H5 | 64.0° | 60.0° |
| C4 | C3 | H6 | H7 | 118.1° | 120.0° |
| C3 | C4 | H8 | H9 | 117.3° | 120.0° |
| C3 | C4 | C5 | H10 | 175.5° | 60.1° |
| C3 | C4 | C5 | H11 | 57.1° | 60.0° |
| C5 | C4 | C3 | H6 | 58.6° | 60.0° |
| C5 | C4 | C3 | H7 | 60.2° | 59.9° |
| C5 | C4 | H8 | H9 | 117.4° | 120.1° |
| C4 | C5 | H10 | H11 | 117.6° | 120.0° |
| C4 | C5 | C6 | H12 | 84.4° | 60.1° |
| C4 | C5 | C6 | H13 | 33.7° | 60.0° |
| H1 | O1 | C7 | H14 | 62.2° | 179.9° |
| H2 | C1 | C2 | H4 | 179.3° | 59.9° |
| H2 | C1 | C2 | H5 | 60.9° | 180.0° |
| H2 | C1 | C21 | H34 | 62.7° | 180.0° |
| H2 | C1 | C21 | H35 | 178.7° | 60.0° |
| H3 | C1 | C2 | H4 | 62.1° | 180.0° |
| H3 | C1 | C2 | H5 | 179.4° | 59.9° |
| H3 | C1 | C21 | H34 | 55.8° | 60.1° |
| H3 | C1 | C21 | H35 | 62.8° | 179.9° |
| H4 | C2 | C3 | H6 | 175.1° | 180.0° |
| H4 | C2 | C3 | H7 | 66.2° | 60.1° |
| H5 | C2 | C3 | H6 | 56.6° | 60.0° |
| H5 | C2 | C3 | H7 | 175.3° | 180.0° |
| H6 | C3 | C4 | H8 | 179.4° | 179.9° |
| H6 | C3 | C4 | H9 | 62.3° | 60.0° |
| H7 | C3 | C4 | H8 | 60.7° | 60.0° |
| H7 | C3 | C4 | H9 | 179.0° | 180.0° |
| H8 | C4 | C5 | H10 | 54.7° | 180.0° |
| H8 | C4 | C5 | H11 | 63.8° | 59.9° |
| H9 | C4 | C5 | H10 | 63.6° | 59.9° |
| H9 | C4 | C5 | H11 | 177.9° | 180.0° |
| H10 | C5 | C6 | H12 | 154.8° | 180.0° |
| H10 | C5 | C6 | H13 | 87.0° | 59.9° |
| H11 | C5 | C6 | H12 | 36.4° | 59.9° |
| H11 | C5 | C6 | H13 | 154.5° | 180.0° |
| H12 | C6 | C7 | H14 | 65.2° | 65.0° |
| H13 | C6 | C7 | H14 | 52.9° | 175.0° |
| H14 | C7 | C8 | H15 | 73.1° | 65.1° |
| H14 | C7 | C8 | H16 | 167.8° | 175.0° |
| H17 | C10 | C11 | H19 | 141.2° | 59.9° |
| H17 | C10 | C11 | H20 | 21.8° | 179.9° |
| H18 | C10 | C11 | H19 | 100.5° | 179.9° |
| H18 | C10 | C11 | H20 | 140.1° | 60.0° |
| H19 | C11 | N1 | H39 | 129.4° | 120.0° |
| H20 | C11 | N1 | H39 | 10.0° | 120.0° |
| H21 | C13 | C14 | H23 | 164.7° | 180.0° |
| H21 | C13 | C14 | H24 | 45.8° | 60.0° |
| H22 | C13 | C14 | H23 | 75.3° | 60.0° |
| H22 | C13 | C14 | H24 | 165.8° | 180.0° |
| H23 | C14 | N2 | H40 | 57.5° | 119.9° |
| H24 | C14 | N2 | H40 | 176.4° | 120.1° |
| H25 | C16 | O5 | H41 | 138.3° | 179.9° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H34 | C21 | C22 | H36 | 112.8° | 180.0° |
| H34 | C21 | C22 | H37 | 1.1° | 60.0° |
| H34 | C21 | C22 | C23 | 123.1° | 60.0° |
| H35 | C21 | C22 | H36 | 5.9° | 60.0° |
| H35 | C21 | C22 | H37 | 117.6° | 180.0° |
| H35 | C21 | C22 | C23 | 118.3° | 60.0° |
| H36 | C22 | H37 | C23 | 103.4° | 120.1° |
| H36 | C22 | C23 | C24 | 90.0° | 60.1° |
| H36 | C22 | C23 | H45 | 90.0° | 180.0° |
| H36 | C22 | C23 | H46 | 90.0° | 60.0° |
| H37 | C22 | C23 | C24 | 90.0° | 60.0° |
| H37 | C22 | C23 | H45 | 90.0° | 59.9° |
| H37 | C22 | C23 | H46 | 90.0° | 179.9° |
| H42 | O7 | P1 | OP3 | 120.9° | 60.0° |
| C22 | C23 | C24 | H45 | 90.0° | 119.9° |
| C22 | C23 | C24 | H46 | 90.0° | 120.0° |
| C22 | C23 | C24 | C25 | 90.0° | 180.0° |
| C22 | C23 | H45 | H46 | 90.0° | 120.0° |
| C22 | C23 | C24 | H47 | 90.0° | 60.0° |
| C22 | C23 | C24 | H48 | 90.0° | 60.0° |
| C23 | C24 | C25 | H47 | 90.0° | 120.0° |
| C23 | C24 | C25 | H48 | 90.0° | 120.1° |
| C24 | C23 | H45 | H46 | 90.0° | 120.1° |
| C23 | C24 | H47 | H48 | 90.0° | 120.1° |
| C23 | C24 | C25 | H49 | 90.0° | 60.0° |
| C23 | C24 | C25 | H50 | 90.0° | 60.0° |
| C23 | C24 | C25 | H51 | 90.0° | 180.0° |
| C25 | C24 | C23 | H45 | 90.0° | 60.1° |
| C25 | C24 | C23 | H46 | 90.0° | 60.0° |
| C25 | C24 | H47 | H48 | 90.0° | 119.9° |
| C24 | C25 | H49 | H50 | 90.0° | 120.0° |
| C24 | C25 | H49 | H51 | 90.0° | 120.0° |
| C24 | C25 | H50 | H51 | 90.0° | 120.0° |
| H45 | C23 | C24 | H47 | 90.0° | 180.0° |
| H45 | C23 | C24 | H48 | 90.0° | 59.9° |
| H46 | C23 | C24 | H47 | 90.0° | 60.0° |
| H46 | C23 | C24 | H48 | 90.0° | 180.0° |
| H47 | C24 | C25 | H49 | 90.0° | 179.9° |
| H47 | C24 | C25 | H50 | 90.0° | 60.0° |
| H47 | C24 | C25 | H51 | 90.0° | 59.9° |
| H48 | C24 | C25 | H49 | 90.0° | 60.0° |
| H48 | C24 | C25 | H50 | 90.0° | 179.9° |
| H48 | C24 | C25 | H51 | 90.0° | 60.0° |
| H49 | C25 | H50 | H51 | 90.0° | 120.0° |
