YDD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C13 | O | sing | 1.43Å | 1.42Å | |
| O | C14 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C14 | O1 | sing | 1.43Å | 1.44Å | |
| C14 | C28 | sing | 1.54Å | 1.53Å | |
| O1 | C15 | sing | 1.44Å | 1.43Å | |
| O13 | C28 | sing | 1.43Å | 1.43Å | |
| C28 | C27 | sing | 1.55Å | 1.51Å | |
| C15 | C27 | sing | 1.55Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C27 | O12 | sing | 1.43Å | 1.42Å | |
| C16 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | P | sing | 1.61Å | 1.61Å | |
| O7 | P1 | doub | 1.48Å | 1.48Å | |
| O6 | P1 | sing | 1.61Å | 1.60Å | |
| O5 | P | sing | 1.61Å | 1.59Å | |
| O5 | P1 | sing | 1.61Å | 1.59Å | |
| P | O4 | doub | 1.48Å | 1.48Å | |
| P | O3 | sing | 1.61Å | 1.61Å | |
| P1 | O8 | sing | 1.61Å | 1.60Å | |
| O8 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C21 | sing | 1.54Å | 1.52Å | |
| C18 | O9 | sing | 1.44Å | 1.42Å | |
| C21 | O11 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C20 | O10 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| O9 | C19 | sing | 1.44Å | 1.43Å | |
| C22 | N1 | doub | 1.30Å | 1.35Å | Aromatic |
| C22 | N | sing | 1.36Å | 1.34Å | Aromatic |
| C19 | N | sing | 1.47Å | 1.47Å | |
| N1 | C23 | sing | 1.36Å | 1.35Å | Aromatic |
| N | C26 | sing | 1.37Å | 1.33Å | Aromatic |
| C23 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.38Å | Aromatic |
| C26 | N4 | sing | 1.33Å | 1.36Å | Aromatic |
| N2 | C24 | sing | 1.38Å | 1.35Å | |
| C24 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N4 | C25 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C25 | sing | 1.32Å | 1.34Å | Aromatic |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H | sing | 1.09Å | 1.10Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C17 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.08Å | 1.08Å | |
| C25 | H47 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H46 | sing | 0.97Å | 1.00Å | |
| N2 | H45 | sing | 0.97Å | 1.00Å | |
| O10 | H42 | sing | 0.97Å | 0.95Å | |
| O11 | H43 | sing | 0.97Å | 0.95Å | |
| O12 | H48 | sing | 0.97Å | 0.95Å | |
| O13 | H49 | sing | 0.97Å | 0.95Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| O6 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 108.7° | 109.5° |
| C7 | C8 | C9 | 112.2° | 109.5° |
| C8 | C7 | H25 | 109.7° | 109.5° |
| C8 | C7 | H24 | 109.7° | 109.5° |
| C7 | C8 | H27 | 108.8° | 109.5° |
| C7 | C8 | H26 | 108.8° | 109.5° |
| C7 | C6 | C5 | 109.9° | 109.5° |
| C7 | C6 | H22 | 109.4° | 109.5° |
| C7 | C6 | H23 | 109.3° | 109.5° |
| C6 | C7 | H25 | 109.6° | 109.5° |
| C6 | C7 | H24 | 109.7° | 109.5° |
| C11 | C12 | C13 | 109.6° | 109.5° |
| C12 | C11 | C10 | 106.5° | 109.5° |
| C12 | C11 | H33 | 110.2° | 109.5° |
| C12 | C11 | H32 | 110.2° | 109.5° |
| C11 | C12 | H34 | 109.4° | 109.5° |
| C11 | C12 | H35 | 109.4° | 109.4° |
| C12 | C13 | O | 114.0° | 109.5° |
| C13 | C12 | H34 | 109.5° | 109.5° |
| C13 | C12 | H35 | 109.5° | 109.5° |
| C12 | C13 | H131 | 108.3° | 109.5° |
| C12 | C13 | H132 | 108.3° | 109.4° |
| C11 | C10 | C9 | 109.4° | 109.5° |
| C11 | C10 | H30 | 109.5° | 109.5° |
| C11 | C10 | H31 | 109.5° | 109.5° |
| C10 | C11 | H33 | 110.2° | 109.5° |
| C10 | C11 | H32 | 110.2° | 109.5° |
| C10 | C9 | C8 | 105.8° | 109.5° |
| C9 | C10 | H30 | 109.5° | 109.4° |
| C9 | C10 | H31 | 109.5° | 109.5° |
| C10 | C9 | H29 | 110.4° | 109.5° |
| C10 | C9 | H28 | 110.4° | 109.5° |
| C6 | C5 | C4 | 109.9° | 109.5° |
| C6 | C5 | H21 | 109.4° | 109.5° |
| C6 | C5 | H20 | 109.4° | 109.5° |
| C5 | C6 | H22 | 109.4° | 109.4° |
| C5 | C6 | H23 | 109.4° | 109.5° |
| C5 | C4 | C3 | 110.2° | 109.5° |
| C5 | C4 | H18 | 109.3° | 109.5° |
| C5 | C4 | H19 | 109.3° | 109.5° |
| C4 | C5 | H21 | 109.4° | 109.5° |
| C4 | C5 | H20 | 109.3° | 109.5° |
| C9 | C8 | H27 | 108.8° | 109.5° |
| C9 | C8 | H26 | 108.8° | 109.4° |
| C8 | C9 | H29 | 110.4° | 109.4° |
| C8 | C9 | H28 | 110.4° | 109.5° |
| C4 | C3 | C2 | 109.8° | 109.5° |
| C4 | C3 | H16 | 109.4° | 109.5° |
| C4 | C3 | H17 | 109.4° | 109.5° |
| C3 | C4 | H18 | 109.3° | 109.5° |
| C3 | C4 | H19 | 109.3° | 109.5° |
| C3 | C2 | C1 | 111.2° | 109.5° |
| C3 | C2 | H15 | 109.0° | 109.5° |
| C3 | C2 | H14 | 109.0° | 109.4° |
| C2 | C3 | H16 | 109.4° | 109.5° |
| C2 | C3 | H17 | 109.4° | 109.4° |
| C13 | O | C14 | 117.0° | 114.0° |
| O | C13 | H131 | 108.3° | 109.5° |
| O | C13 | H132 | 108.3° | 109.5° |
| O | C14 | O1 | 107.0° | 109.8° |
| O | C14 | C28 | 117.5° | 109.9° |
| O | C14 | H | 109.8° | 109.8° |
| C2 | C1 | C | 110.3° | 109.5° |
| C2 | C1 | H12 | 109.3° | 109.5° |
| C2 | C1 | H13 | 109.3° | 109.5° |
| C1 | C2 | H15 | 109.0° | 109.5° |
| C1 | C2 | H14 | 109.0° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.4° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C | C1 | H12 | 109.2° | 109.5° |
| C | C1 | H13 | 109.3° | 109.5° |
| O1 | C14 | C28 | 104.1° | 107.6° |
| C14 | O1 | C15 | 109.2° | 110.0° |
| O1 | C14 | H | 109.7° | 109.8° |
| C14 | C28 | O13 | 115.1° | 110.8° |
| C14 | C28 | C27 | 101.0° | 102.3° |
| C28 | C14 | H | 108.5° | 109.9° |
| C14 | C28 | H7 | 111.0° | 110.9° |
| O1 | C15 | C27 | 102.9° | 105.1° |
| O1 | C15 | C16 | 113.4° | 110.3° |
| O1 | C15 | H1 | 109.9° | 110.4° |
| O13 | C28 | C27 | 105.3° | 110.8° |
| O13 | C28 | H7 | 112.5° | 110.9° |
| C28 | O13 | H49 | 109.5° | 114.0° |
| C28 | C27 | C15 | 97.6° | 101.0° |
| C28 | C27 | O12 | 112.7° | 111.1° |
| C28 | C27 | H6 | 109.6° | 111.1° |
| C27 | C28 | H7 | 111.2° | 110.9° |
| C27 | C15 | C16 | 113.0° | 110.3° |
| C15 | C27 | O12 | 115.9° | 111.1° |
| C27 | C15 | H1 | 108.6° | 110.3° |
| C15 | C27 | H6 | 109.4° | 111.2° |
| C15 | C16 | O2 | 107.9° | 109.4° |
| C16 | C15 | H1 | 108.8° | 110.3° |
| C15 | C16 | H36 | 109.8° | 109.5° |
| C15 | C16 | H37 | 109.9° | 109.5° |
| O12 | C27 | H6 | 110.9° | 111.0° |
| C27 | O12 | H48 | 109.5° | 114.1° |
| C16 | O2 | P | 119.1° | 123.0° |
| O2 | C16 | H36 | 109.8° | 109.5° |
| O2 | C16 | H37 | 109.9° | 109.4° |
| O2 | P | O5 | 105.2° | 109.5° |
| O2 | P | O4 | 111.9° | 109.4° |
| O2 | P | O3 | 108.4° | 109.5° |
| O7 | P1 | O6 | 112.2° | 109.5° |
| O7 | P1 | O5 | 110.0° | 109.5° |
| O7 | P1 | O8 | 111.6° | 109.5° |
| O6 | P1 | O5 | 106.8° | 109.5° |
| O6 | P1 | O8 | 110.0° | 109.5° |
| P1 | O6 | H39 | 109.5° | 114.0° |
| P | O5 | P1 | 118.3° | 134.0° |
| O5 | P | O4 | 107.0° | 109.5° |
| O5 | P | O3 | 111.8° | 109.5° |
| O5 | P1 | O8 | 105.9° | 109.5° |
| O4 | P | O3 | 112.3° | 109.5° |
| P | O3 | H38 | 109.5° | 114.0° |
| P1 | O8 | C17 | 118.3° | 123.0° |
| O8 | C17 | C18 | 107.3° | 109.5° |
| O8 | C17 | H40 | 110.0° | 109.5° |
| O8 | C17 | H41 | 110.0° | 109.5° |
| C17 | C18 | C21 | 111.3° | 110.4° |
| C17 | C18 | O9 | 109.5° | 110.4° |
| C18 | C17 | H40 | 110.0° | 109.5° |
| C18 | C17 | H41 | 110.0° | 109.5° |
| C17 | C18 | H2 | 109.2° | 110.3° |
| C21 | C18 | O9 | 107.3° | 104.8° |
| C18 | C21 | O11 | 109.1° | 110.6° |
| C18 | C21 | C20 | 104.3° | 104.0° |
| C21 | C18 | H2 | 109.1° | 110.3° |
| C18 | C21 | H5 | 110.1° | 110.5° |
| C18 | O9 | C19 | 109.9° | 105.3° |
| O9 | C18 | H2 | 110.4° | 110.5° |
| O11 | C21 | C20 | 111.5° | 110.5° |
| O11 | C21 | H5 | 111.4° | 110.5° |
| C21 | O11 | H43 | 109.5° | 114.0° |
| C21 | C20 | O10 | 110.6° | 110.5° |
| C21 | C20 | C19 | 102.4° | 104.0° |
| C21 | C20 | H4 | 110.2° | 110.6° |
| C20 | C21 | H5 | 110.1° | 110.5° |
| O10 | C20 | C19 | 111.6° | 110.5° |
| O10 | C20 | H4 | 111.5° | 110.5° |
| C20 | O10 | H42 | 109.5° | 113.9° |
| C20 | C19 | O9 | 105.9° | 104.8° |
| C20 | C19 | N | 117.2° | 110.3° |
| C20 | C19 | H3 | 109.0° | 110.4° |
| C19 | C20 | H4 | 110.2° | 110.6° |
| O9 | C19 | N | 104.6° | 110.4° |
| O9 | C19 | H3 | 110.3° | 110.5° |
| N1 | C22 | N | 108.6° | 110.0° |
| C22 | N1 | C23 | 107.2° | 109.4° |
| N1 | C22 | H44 | 125.7° | 125.1° |
| C22 | N | C19 | 128.6° | 126.3° |
| C22 | N | C26 | 108.9° | 107.4° |
| N | C22 | H44 | 125.7° | 125.0° |
| C19 | N | C26 | 122.4° | 126.3° |
| N | C19 | H3 | 109.6° | 110.3° |
| N1 | C23 | C26 | 107.9° | 107.1° |
| N1 | C23 | C24 | 134.1° | 134.7° |
| N | C26 | C23 | 107.3° | 106.0° |
| N | C26 | N4 | 132.0° | 134.9° |
| C26 | C23 | C24 | 118.0° | 118.2° |
| C23 | C26 | N4 | 120.6° | 119.0° |
| C23 | C24 | N2 | 120.3° | 120.8° |
| C23 | C24 | N3 | 119.3° | 118.4° |
| C26 | N4 | C25 | 119.9° | 120.7° |
| N2 | C24 | N3 | 120.4° | 120.8° |
| C24 | N2 | H46 | 109.5° | 120.1° |
| C24 | N2 | H45 | 109.5° | 120.0° |
| C24 | N3 | C25 | 121.6° | 121.2° |
| N4 | C25 | N3 | 120.5° | 122.5° |
| N4 | C25 | H47 | 119.8° | 118.8° |
| N3 | C25 | H47 | 119.7° | 118.7° |
| H9 | C | H10 | 109.4° | 109.4° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H30 | C10 | H31 | 109.5° | 109.4° |
| H33 | C11 | H32 | 109.5° | 109.5° |
| H34 | C12 | H35 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H36 | C16 | H37 | 109.5° | 109.5° |
| H40 | C17 | H41 | 109.5° | 109.4° |
| H15 | C2 | H14 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.5° | 109.4° |
| H21 | C5 | H20 | 109.5° | 109.4° |
| H22 | C6 | H23 | 109.5° | 109.5° |
| H25 | C7 | H24 | 109.5° | 109.5° |
| H27 | C8 | H26 | 109.5° | 109.5° |
| H29 | C9 | H28 | 109.5° | 109.4° |
| H46 | N2 | H45 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H25 | 119.9° | 120.0° |
| C8 | C7 | C6 | H24 | 119.9° | 120.0° |
| C7 | C8 | C9 | C10 | 119.5° | 180.0° |
| C8 | C7 | C6 | C5 | 164.3° | 180.0° |
| C7 | C8 | C9 | H27 | 120.4° | 120.1° |
| C7 | C8 | C9 | H26 | 120.4° | 120.0° |
| C8 | C7 | C6 | H22 | 75.7° | 60.0° |
| C8 | C7 | C6 | H23 | 44.2° | 60.0° |
| C8 | C7 | H25 | H24 | 120.4° | 120.0° |
| C7 | C8 | H27 | H26 | 118.8° | 120.0° |
| C7 | C8 | C9 | H29 | 121.2° | 60.0° |
| C7 | C8 | C9 | H28 | 0.0° | 59.9° |
| C7 | C6 | C5 | H22 | 120.1° | 120.0° |
| C7 | C6 | C5 | H23 | 120.1° | 120.0° |
| C7 | C6 | C5 | C4 | 154.5° | 180.0° |
| C6 | C7 | C8 | C9 | 121.1° | 180.0° |
| C7 | C6 | C5 | H21 | 34.4° | 60.0° |
| C7 | C6 | C5 | H20 | 85.5° | 60.0° |
| C7 | C6 | H22 | H23 | 119.8° | 120.0° |
| C6 | C7 | H25 | H24 | 120.3° | 120.0° |
| C6 | C7 | C8 | H27 | 0.7° | 60.0° |
| C6 | C7 | C8 | H26 | 118.5° | 60.1° |
| C11 | C12 | C13 | H34 | 120.0° | 120.0° |
| C11 | C12 | C13 | H35 | 120.0° | 119.9° |
| C12 | C11 | C10 | H33 | 119.5° | 120.0° |
| C12 | C11 | C10 | H32 | 119.5° | 120.0° |
| C12 | C11 | C10 | C9 | 160.7° | 180.0° |
| C11 | C12 | C13 | O | 86.2° | 180.0° |
| C12 | C11 | C10 | H30 | 79.3° | 60.0° |
| C12 | C11 | C10 | H31 | 40.7° | 60.0° |
| C12 | C11 | H33 | H32 | 121.4° | 120.0° |
| C11 | C12 | H34 | H35 | 119.9° | 120.0° |
| C11 | C12 | C13 | H131 | 153.1° | 60.0° |
| C11 | C12 | C13 | H132 | 34.4° | 60.0° |
| C13 | C12 | C11 | C10 | 113.8° | 180.0° |
| C12 | C13 | O | H131 | 120.7° | 120.0° |
| C12 | C13 | O | H132 | 120.7° | 120.0° |
| C12 | C13 | O | C14 | 119.6° | 180.0° |
| C13 | C12 | C11 | H33 | 5.7° | 60.0° |
| C13 | C12 | C11 | H32 | 126.6° | 60.0° |
| C13 | C12 | H34 | H35 | 120.0° | 120.1° |
| C12 | C13 | H131 | H132 | 117.9° | 120.0° |
| C11 | C10 | C9 | H30 | 120.0° | 120.0° |
| C11 | C10 | C9 | H31 | 120.0° | 120.0° |
| C11 | C10 | C9 | C8 | 175.5° | 180.0° |
| C11 | C10 | H30 | H31 | 120.1° | 120.0° |
| C10 | C11 | H33 | H32 | 121.4° | 120.0° |
| C10 | C11 | C12 | H34 | 6.2° | 60.0° |
| C10 | C11 | C12 | H35 | 126.2° | 60.0° |
| C11 | C10 | C9 | H29 | 56.1° | 60.0° |
| C11 | C10 | C9 | H28 | 65.1° | 60.0° |
| C10 | C9 | C8 | H29 | 119.4° | 120.0° |
| C10 | C9 | C8 | H28 | 119.4° | 120.1° |
| C9 | C10 | H30 | H31 | 120.0° | 119.9° |
| C9 | C10 | C11 | H33 | 41.1° | 60.0° |
| C9 | C10 | C11 | H32 | 79.8° | 60.0° |
| C10 | C9 | C8 | H27 | 120.1° | 59.9° |
| C10 | C9 | C8 | H26 | 1.0° | 60.0° |
| C10 | C9 | H29 | H28 | 121.7° | 120.0° |
| C6 | C5 | C4 | H21 | 120.1° | 120.0° |
| C6 | C5 | C4 | H20 | 120.1° | 120.0° |
| C6 | C5 | C4 | C3 | 165.7° | 180.0° |
| C6 | C5 | C4 | H18 | 74.2° | 60.0° |
| C6 | C5 | C4 | H19 | 45.6° | 60.0° |
| C6 | C5 | H21 | H20 | 119.8° | 120.0° |
| C5 | C6 | H22 | H23 | 119.8° | 120.0° |
| C5 | C6 | C7 | H25 | 44.4° | 60.0° |
| C5 | C6 | C7 | H24 | 75.9° | 60.0° |
| C5 | C4 | C3 | H18 | 120.1° | 120.0° |
| C5 | C4 | C3 | H19 | 120.1° | 120.0° |
| C5 | C4 | C3 | C2 | 126.7° | 180.0° |
| C5 | C4 | C3 | H16 | 6.7° | 60.0° |
| C5 | C4 | C3 | H17 | 113.2° | 60.0° |
| C5 | C4 | H18 | H19 | 119.7° | 120.0° |
| C4 | C5 | H21 | H20 | 119.8° | 120.0° |
| C4 | C5 | C6 | H22 | 85.5° | 60.0° |
| C4 | C5 | C6 | H23 | 34.4° | 60.0° |
| C8 | C9 | C10 | H30 | 64.5° | 60.0° |
| C8 | C9 | C10 | H31 | 55.5° | 59.9° |
| C9 | C8 | C7 | H25 | 1.3° | 60.0° |
| C9 | C8 | C7 | H24 | 119.0° | 60.1° |
| C9 | C8 | H27 | H26 | 118.7° | 119.9° |
| C8 | C9 | H29 | H28 | 121.7° | 120.0° |
| C4 | C3 | C2 | H16 | 120.0° | 120.1° |
| C4 | C3 | C2 | H17 | 120.1° | 120.0° |
| C4 | C3 | C2 | C1 | 164.9° | 180.0° |
| C4 | C3 | C2 | H15 | 74.8° | 60.0° |
| C4 | C3 | C2 | H14 | 44.7° | 60.0° |
| C4 | C3 | H16 | H17 | 119.8° | 120.0° |
| C3 | C4 | H18 | H19 | 119.6° | 120.0° |
| C3 | C4 | C5 | H21 | 45.6° | 60.0° |
| C3 | C4 | C5 | H20 | 74.2° | 60.0° |
| C3 | C2 | C1 | H15 | 120.3° | 120.0° |
| C3 | C2 | C1 | H14 | 120.2° | 119.9° |
| C3 | C2 | C1 | C | 149.4° | 180.0° |
| C3 | C2 | C1 | H12 | 29.3° | 60.0° |
| C3 | C2 | C1 | H13 | 90.5° | 60.1° |
| C3 | C2 | H15 | H14 | 119.2° | 120.0° |
| C2 | C3 | H16 | H17 | 119.8° | 119.9° |
| C2 | C3 | C4 | H18 | 113.2° | 59.9° |
| C2 | C3 | C4 | H19 | 6.6° | 60.0° |
| C13 | O | C14 | O1 | 158.6° | 71.4° |
| C13 | O | C14 | C28 | 42.1° | 170.4° |
| O | C13 | C12 | H34 | 33.8° | 60.0° |
| O | C13 | C12 | H35 | 153.8° | 60.0° |
| O | C13 | H131 | H132 | 117.9° | 120.0° |
| C13 | O | C14 | H | 82.4° | 49.4° |
| O | C14 | O1 | C28 | 125.0° | 119.6° |
| O | C14 | O1 | H | 119.1° | 120.9° |
| O | C14 | C28 | H | 125.2° | 120.9° |
| O | C14 | O1 | C15 | 127.9° | 117.8° |
| O | C14 | C28 | O13 | 37.5° | 22.7° |
| O | C14 | C28 | C27 | 150.3° | 140.8° |
| C14 | O | C13 | H131 | 119.7° | 60.0° |
| C14 | O | C13 | H132 | 1.0° | 60.0° |
| O | C14 | C28 | H7 | 91.7° | 100.9° |
| C2 | C1 | C | H12 | 120.1° | 120.0° |
| C2 | C1 | C | H13 | 120.1° | 120.0° |
| C2 | C1 | C | H9 | 180.0° | 60.0° |
| C2 | C1 | C | H10 | 60.0° | 60.0° |
| C2 | C1 | C | H11 | 60.0° | 180.0° |
| C2 | C1 | H12 | H13 | 119.6° | 120.0° |
| C1 | C2 | H15 | H14 | 119.2° | 120.0° |
| C1 | C2 | C3 | H16 | 44.9° | 59.9° |
| C1 | C2 | C3 | H17 | 75.0° | 60.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C | C1 | H12 | H13 | 119.6° | 120.0° |
| C | C1 | C2 | H15 | 90.4° | 60.0° |
| C | C1 | C2 | H14 | 29.1° | 60.0° |
| O1 | C14 | C28 | H | 116.7° | 119.5° |
| O1 | C14 | C28 | O13 | 80.6° | 96.9° |
| O1 | C14 | C28 | C27 | 32.2° | 21.3° |
| C14 | O1 | C15 | C27 | 27.5° | 24.5° |
| C14 | O1 | C15 | C16 | 149.9° | 143.4° |
| C14 | O1 | C15 | H1 | 88.1° | 94.5° |
| O1 | C14 | C28 | H7 | 150.2° | 139.5° |
| C28 | C14 | O1 | C15 | 2.9° | 1.8° |
| C14 | C28 | O13 | C27 | 110.3° | 112.8° |
| C14 | C28 | O13 | H7 | 128.4° | 123.6° |
| C14 | C28 | C27 | H7 | 117.8° | 118.3° |
| C14 | C28 | C27 | C15 | 46.9° | 34.1° |
| C14 | C28 | C27 | O12 | 169.2° | 152.0° |
| C14 | C28 | C27 | H6 | 66.8° | 83.9° |
| C14 | C28 | O13 | H49 | 180.0° | 61.5° |
| O1 | C15 | C27 | C28 | 46.1° | 36.4° |
| O1 | C15 | C27 | C16 | 122.7° | 118.9° |
| O1 | C15 | C27 | H1 | 116.5° | 119.0° |
| O1 | C15 | C16 | H1 | 122.6° | 122.3° |
| O1 | C15 | C27 | O12 | 166.0° | 154.4° |
| O1 | C15 | C16 | O2 | 175.1° | 69.3° |
| C15 | O1 | C14 | H | 113.0° | 121.3° |
| O1 | C15 | C16 | H36 | 65.2° | 170.7° |
| O1 | C15 | C16 | H37 | 55.3° | 50.7° |
| O1 | C15 | C27 | H6 | 67.8° | 81.5° |
| O13 | C28 | C27 | H7 | 122.2° | 123.6° |
| O13 | C28 | C27 | C15 | 73.1° | 84.0° |
| O13 | C28 | C27 | O12 | 49.1° | 33.9° |
| O13 | C28 | C14 | H | 162.6° | 143.6° |
| O13 | C28 | C27 | H6 | 173.1° | 158.0° |
| C28 | C27 | C15 | O12 | 119.9° | 117.9° |
| C28 | C27 | C15 | H6 | 113.9° | 118.0° |
| C28 | C27 | C15 | C16 | 168.8° | 155.3° |
| C28 | C27 | O12 | H6 | 123.3° | 124.2° |
| C27 | C28 | C14 | H | 84.5° | 98.2° |
| C28 | C27 | C15 | H1 | 70.4° | 82.6° |
| C28 | C27 | O12 | H48 | 168.9° | 68.4° |
| C27 | C28 | O13 | H49 | 69.7° | 174.3° |
| C27 | C15 | C16 | H1 | 120.7° | 122.1° |
| C15 | C27 | O12 | H6 | 125.4° | 124.2° |
| C27 | C15 | C16 | O2 | 68.3° | 175.0° |
| C27 | C15 | C16 | H36 | 51.5° | 55.0° |
| C27 | C15 | C16 | H37 | 172.0° | 65.0° |
| C15 | C27 | C28 | H7 | 164.7° | 152.3° |
| C15 | C27 | O12 | H48 | 79.8° | 180.0° |
| C16 | C15 | C27 | O12 | 71.3° | 86.7° |
| C15 | C16 | O2 | H36 | 119.7° | 120.0° |
| C15 | C16 | O2 | H37 | 119.8° | 120.0° |
| C15 | C16 | O2 | P | 122.8° | 180.0° |
| C15 | C16 | H36 | H37 | 120.7° | 120.0° |
| C16 | C15 | C27 | H6 | 54.9° | 37.4° |
| O12 | C27 | C15 | H1 | 49.5° | 35.4° |
| O12 | C27 | C28 | H7 | 73.0° | 89.7° |
| C16 | O2 | P | O5 | 40.7° | 175.0° |
| C16 | O2 | P | O4 | 75.2° | 55.0° |
| C16 | O2 | P | O3 | 160.4° | 64.9° |
| O2 | C16 | C15 | H1 | 52.5° | 52.9° |
| O2 | C16 | H36 | H37 | 120.7° | 120.0° |
| O2 | P | O5 | O4 | 119.1° | 119.9° |
| O2 | P | O5 | O3 | 117.4° | 120.0° |
| O2 | P | O5 | P1 | 78.5° | 160.0° |
| O2 | P | O4 | O3 | 122.2° | 120.0° |
| P | O2 | C16 | H36 | 3.1° | 60.0° |
| P | O2 | C16 | H37 | 117.4° | 60.0° |
| O2 | P | O3 | H38 | 124.1° | 60.1° |
| O7 | P1 | O6 | O5 | 120.6° | 120.0° |
| O7 | P1 | O6 | O8 | 124.9° | 120.0° |
| O7 | P1 | O5 | P | 41.8° | 45.0° |
| O7 | P1 | O5 | O8 | 120.8° | 120.0° |
| O7 | P1 | O8 | C17 | 176.0° | 55.0° |
| O7 | P1 | O6 | H39 | 0.0° | 180.0° |
| O6 | P1 | O5 | P | 163.8° | 75.0° |
| O6 | P1 | O5 | O8 | 117.2° | 120.0° |
| O6 | P1 | O8 | C17 | 58.7° | 65.0° |
| O5 | P | O4 | O3 | 123.1° | 120.1° |
| P | O5 | P1 | O8 | 79.0° | 165.0° |
| O5 | P | O3 | H38 | 120.4° | 60.0° |
| P1 | O5 | P | O4 | 162.4° | 40.0° |
| P1 | O5 | P | O3 | 38.9° | 80.0° |
| O5 | P1 | O8 | C17 | 56.3° | 175.0° |
| O5 | P1 | O6 | H39 | 120.6° | 60.0° |
| O4 | P | O3 | H38 | 0.0° | 180.0° |
| P1 | O8 | C17 | C18 | 173.8° | 180.0° |
| P1 | O8 | C17 | H40 | 66.5° | 60.0° |
| P1 | O8 | C17 | H41 | 54.1° | 60.0° |
| O8 | P1 | O6 | H39 | 124.9° | 60.0° |
| O8 | C17 | C18 | H40 | 119.7° | 120.0° |
| O8 | C17 | C18 | H41 | 119.6° | 120.0° |
| O8 | C17 | C18 | C21 | 64.4° | 174.9° |
| O8 | C17 | C18 | O9 | 177.1° | 69.6° |
| O8 | C17 | H40 | H41 | 121.0° | 120.0° |
| O8 | C17 | C18 | H2 | 56.1° | 52.8° |
| C17 | C18 | C21 | O9 | 119.8° | 118.9° |
| C17 | C18 | C21 | H2 | 120.5° | 122.2° |
| C17 | C18 | O9 | H2 | 120.2° | 122.3° |
| C17 | C18 | C21 | O11 | 135.8° | 98.5° |
| C17 | C18 | C21 | C20 | 104.9° | 142.8° |
| C17 | C18 | O9 | C19 | 126.4° | 159.4° |
| C18 | C17 | H40 | H41 | 121.0° | 120.0° |
| C17 | C18 | C21 | H5 | 13.2° | 24.1° |
| C21 | C18 | O9 | H2 | 118.8° | 118.8° |
| C18 | C21 | O11 | C20 | 114.7° | 114.7° |
| C18 | C21 | O11 | H5 | 121.8° | 122.7° |
| C18 | C21 | C20 | H5 | 118.2° | 118.6° |
| C18 | C21 | C20 | O10 | 146.8° | 118.6° |
| C18 | C21 | C20 | C19 | 27.9° | 0.1° |
| C21 | C18 | O9 | C19 | 5.4° | 40.5° |
| C21 | C18 | C17 | H40 | 176.0° | 54.9° |
| C21 | C18 | C17 | H41 | 55.3° | 65.0° |
| C18 | C21 | C20 | H4 | 89.4° | 118.7° |
| C18 | C21 | O11 | H43 | 180.0° | 180.0° |
| O9 | C18 | C21 | O11 | 104.3° | 142.6° |
| O9 | C18 | C21 | C20 | 14.9° | 23.9° |
| C18 | O9 | C19 | C20 | 23.7° | 40.5° |
| C18 | O9 | C19 | N | 148.1° | 159.3° |
| O9 | C18 | C17 | H40 | 57.4° | 170.4° |
| O9 | C18 | C17 | H41 | 63.3° | 50.4° |
| C18 | O9 | C19 | H3 | 94.1° | 78.4° |
| O9 | C18 | C21 | H5 | 133.1° | 94.7° |
| O11 | C21 | C20 | H5 | 124.2° | 122.6° |
| O11 | C21 | C20 | O10 | 29.2° | 0.1° |
| O11 | C21 | C20 | C19 | 89.7° | 118.6° |
| O11 | C21 | C18 | H2 | 15.3° | 23.7° |
| O11 | C21 | C20 | H4 | 153.0° | 122.6° |
| C21 | C20 | O10 | C19 | 113.3° | 114.6° |
| C21 | C20 | O10 | H4 | 123.0° | 122.8° |
| C21 | C20 | C19 | H4 | 117.3° | 118.8° |
| C21 | C20 | C19 | O9 | 31.8° | 24.1° |
| C21 | C20 | C19 | N | 148.0° | 142.9° |
| C20 | C21 | C18 | H2 | 134.6° | 95.0° |
| C21 | C20 | C19 | H3 | 86.9° | 95.0° |
| C21 | C20 | O10 | H42 | 180.0° | 65.4° |
| C20 | C21 | O11 | H43 | 65.3° | 65.3° |
| O10 | C20 | C19 | H4 | 124.4° | 122.6° |
| O10 | C20 | C19 | O9 | 150.1° | 142.6° |
| O10 | C20 | C19 | N | 93.7° | 98.6° |
| O10 | C20 | C19 | H3 | 31.4° | 23.6° |
| O10 | C20 | C21 | H5 | 95.0° | 122.7° |
| C20 | C19 | O9 | N | 124.4° | 118.8° |
| C20 | C19 | O9 | H3 | 117.8° | 118.9° |
| C20 | C19 | N | C22 | 43.6° | 93.2° |
| C20 | C19 | N | H3 | 124.9° | 122.2° |
| C20 | C19 | N | C26 | 141.0° | 86.6° |
| C19 | C20 | C21 | H5 | 146.0° | 118.7° |
| C19 | C20 | O10 | H42 | 66.7° | 180.0° |
| O9 | C19 | N | C22 | 73.3° | 22.2° |
| O9 | C19 | N | H3 | 118.2° | 122.4° |
| O9 | C19 | N | C26 | 102.1° | 158.0° |
| C19 | O9 | C18 | H2 | 113.4° | 78.3° |
| O9 | C19 | C20 | H4 | 85.5° | 94.8° |
| N1 | C22 | N | H44 | 180.0° | 179.9° |
| N1 | C22 | N | C19 | 177.6° | 179.7° |
| N1 | C22 | N | C26 | 1.7° | 0.1° |
| C22 | N1 | C23 | C26 | 0.2° | 0.4° |
| C22 | N1 | C23 | C24 | 179.9° | 179.9° |
| C22 | N | C19 | C26 | 175.4° | 179.8° |
| N | C22 | N1 | C23 | 1.1° | 0.3° |
| C22 | N | C26 | C23 | 1.6° | 0.2° |
| C22 | N | C26 | N4 | 179.6° | 179.7° |
| C22 | N | C19 | H3 | 168.4° | 144.6° |
| C19 | N | C26 | C23 | 177.8° | 180.0° |
| C19 | N | C26 | N4 | 3.4° | 0.1° |
| N | C19 | C20 | H4 | 30.7° | 24.1° |
| C19 | N | C22 | H44 | 2.4° | 0.2° |
| N1 | C23 | C26 | N | 0.9° | 0.4° |
| N1 | C23 | C26 | C24 | 179.8° | 179.6° |
| N1 | C23 | C26 | N4 | 179.9° | 179.6° |
| N1 | C23 | C24 | N2 | 0.4° | 0.6° |
| N1 | C23 | C24 | N3 | 180.0° | 179.4° |
| C23 | N1 | C22 | H44 | 178.9° | 179.7° |
| N | C26 | C23 | N4 | 179.0° | 179.9° |
| N | C26 | C23 | C24 | 178.9° | 180.0° |
| N | C26 | N4 | C25 | 178.6° | 180.0° |
| C26 | N | C19 | H3 | 16.1° | 35.6° |
| C26 | N | C22 | H44 | 178.3° | 180.0° |
| C26 | C23 | C24 | N2 | 179.9° | 180.0° |
| C26 | C23 | C24 | N3 | 0.3° | 0.0° |
| C23 | C26 | N4 | C25 | 0.2° | 0.0° |
| C24 | C23 | C26 | N4 | 0.1° | 0.0° |
| C23 | C24 | N2 | N3 | 179.6° | 180.0° |
| C23 | C24 | N3 | C25 | 0.5° | 0.1° |
| C23 | C24 | N2 | H46 | 179.6° | 0.0° |
| C23 | C24 | N2 | H45 | 59.6° | 180.0° |
| C26 | N4 | C25 | N3 | 0.4° | 0.1° |
| C26 | N4 | C25 | H47 | 179.6° | 180.0° |
| N2 | C24 | N3 | C25 | 179.9° | 179.9° |
| C24 | N2 | H46 | H45 | 120.0° | 179.9° |
| C24 | N3 | C25 | N4 | 0.6° | 0.1° |
| C24 | N3 | C25 | H47 | 179.4° | 180.0° |
| N3 | C24 | N2 | H46 | 0.0° | 180.0° |
| N3 | C24 | N2 | H45 | 120.0° | 0.1° |
| N4 | C25 | N3 | H47 | 180.0° | 179.9° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H9 | C | C1 | H12 | 59.9° | 60.0° |
| H9 | C | C1 | H13 | 59.9° | 180.0° |
| H10 | C | C1 | H12 | 179.9° | 180.0° |
| H10 | C | C1 | H13 | 60.1° | 60.0° |
| H11 | C | C1 | H12 | 60.1° | 60.0° |
| H11 | C | C1 | H13 | 179.9° | 60.0° |
| H12 | C1 | C2 | H15 | 149.5° | 180.0° |
| H12 | C1 | C2 | H14 | 91.0° | 60.0° |
| H13 | C1 | C2 | H15 | 29.8° | 60.0° |
| H13 | C1 | C2 | H14 | 149.3° | 180.0° |
| H30 | C10 | C11 | H33 | 161.1° | 60.0° |
| H30 | C10 | C11 | H32 | 40.2° | 180.0° |
| H30 | C10 | C9 | H29 | 176.0° | 180.0° |
| H30 | C10 | C9 | H28 | 54.9° | 60.1° |
| H31 | C10 | C11 | H33 | 78.8° | 180.0° |
| H31 | C10 | C11 | H32 | 160.2° | 60.0° |
| H31 | C10 | C9 | H29 | 63.9° | 60.0° |
| H31 | C10 | C9 | H28 | 174.9° | 180.0° |
| H33 | C11 | C12 | H34 | 125.8° | 180.0° |
| H33 | C11 | C12 | H35 | 114.3° | 60.0° |
| H32 | C11 | C12 | H34 | 113.3° | 60.0° |
| H32 | C11 | C12 | H35 | 6.6° | 180.0° |
| H34 | C12 | C13 | H131 | 86.9° | 60.0° |
| H34 | C12 | C13 | H132 | 154.4° | 180.0° |
| H35 | C12 | C13 | H131 | 33.1° | 179.9° |
| H35 | C12 | C13 | H132 | 85.6° | 60.0° |
| H | C14 | C28 | H7 | 33.4° | 20.0° |
| H1 | C15 | C16 | H36 | 172.2° | 67.1° |
| H1 | C15 | C16 | H37 | 67.3° | 172.9° |
| H1 | C15 | C27 | H6 | 175.7° | 159.5° |
| H40 | C17 | C18 | H2 | 63.6° | 67.3° |
| H41 | C17 | C18 | H2 | 175.7° | 172.8° |
| H2 | C18 | C21 | H5 | 107.3° | 146.3° |
| H3 | C19 | C20 | H4 | 155.9° | 146.2° |
| H15 | C2 | C3 | H16 | 165.1° | 180.0° |
| H15 | C2 | C3 | H17 | 45.3° | 60.0° |
| H14 | C2 | C3 | H16 | 75.4° | 60.0° |
| H14 | C2 | C3 | H17 | 164.7° | 180.0° |
| H4 | C20 | C21 | H5 | 28.8° | 0.0° |
| H4 | C20 | O10 | H42 | 57.0° | 57.4° |
| H5 | C21 | O11 | H43 | 58.2° | 57.4° |
| H6 | C27 | C28 | H7 | 51.0° | 34.4° |
| H6 | C27 | O12 | H48 | 45.6° | 55.7° |
| H7 | C28 | O13 | H49 | 51.6° | 62.1° |
| H16 | C3 | C4 | H18 | 126.8° | 180.0° |
| H16 | C3 | C4 | H19 | 113.5° | 60.0° |
| H17 | C3 | C4 | H18 | 6.9° | 60.0° |
| H17 | C3 | C4 | H19 | 126.7° | 179.9° |
| H18 | C4 | C5 | H21 | 165.7° | 180.0° |
| H18 | C4 | C5 | H20 | 45.9° | 60.1° |
| H19 | C4 | C5 | H21 | 74.5° | 60.1° |
| H19 | C4 | C5 | H20 | 165.6° | 180.0° |
| H21 | C5 | C6 | H22 | 154.4° | 180.0° |
| H21 | C5 | C6 | H23 | 85.7° | 60.0° |
| H20 | C5 | C6 | H22 | 34.6° | 60.0° |
| H20 | C5 | C6 | H23 | 154.5° | 180.0° |
| H22 | C6 | C7 | H25 | 164.5° | 180.0° |
| H22 | C6 | C7 | H24 | 44.2° | 60.0° |
| H23 | C6 | C7 | H25 | 75.7° | 60.0° |
| H23 | C6 | C7 | H24 | 164.1° | 180.0° |
| H25 | C7 | C8 | H27 | 119.1° | 180.0° |
| H25 | C7 | C8 | H26 | 121.7° | 59.9° |
| H24 | C7 | C8 | H27 | 120.6° | 60.0° |
| H24 | C7 | C8 | H26 | 1.4° | 180.0° |
| H27 | C8 | C9 | H29 | 0.7° | 60.1° |
| H27 | C8 | C9 | H28 | 120.4° | 180.0° |
| H26 | C8 | C9 | H29 | 118.4° | 180.0° |
| H26 | C8 | C9 | H28 | 120.4° | 60.1° |
