OMR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | O1 | sing | 1.34Å | 1.45Å | |
| O1 | C1 | sing | 1.45Å | 1.42Å | |
| O3 | C18 | sing | 1.43Å | 1.43Å | |
| C1 | C18 | sing | 1.55Å | 1.53Å | |
| C1 | C | sing | 1.55Å | 1.52Å | |
| C18 | O4 | sing | 1.44Å | 1.41Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C | C19 | sing | 1.54Å | 1.52Å | |
| O4 | C19 | sing | 1.44Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | O5 | sing | 1.43Å | 1.42Å | |
| O5 | P | sing | 1.61Å | 1.61Å | |
| O12 | P1 | doub | 1.48Å | 1.48Å | |
| O6 | P | sing | 1.61Å | 1.61Å | |
| O6 | P1 | sing | 1.61Å | 1.60Å | |
| O14 | P | doub | 1.48Å | 1.50Å | |
| O11 | P1 | sing | 1.61Å | 1.60Å | |
| P | O13 | sing | 1.61Å | 1.51Å | |
| P1 | O7 | sing | 1.61Å | 1.60Å | |
| O7 | C21 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C26 | N1 | doub | 1.30Å | 1.34Å | Aromatic |
| C26 | N | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | C28 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C22 | O8 | sing | 1.44Å | 1.42Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C23 | O9 | sing | 1.43Å | 1.43Å | |
| O8 | C25 | sing | 1.44Å | 1.42Å | |
| C24 | C25 | sing | 1.54Å | 1.50Å | |
| C24 | O10 | sing | 1.43Å | 1.41Å | |
| N | C25 | sing | 1.46Å | 1.45Å | |
| N | C27 | sing | 1.37Å | 1.32Å | Aromatic |
| C28 | C27 | doub | 1.41Å | 1.47Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.46Å | Aromatic |
| N2 | C29 | sing | 1.38Å | 1.35Å | |
| C27 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C29 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| N4 | C30 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C30 | sing | 1.32Å | 1.34Å | Aromatic |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O13 | H2 | sing | 0.97Å | 0.95Å | |
| O11 | H3 | sing | 0.97Å | 0.95Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| O9 | H8 | sing | 0.97Å | 0.95Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| O | H20 | sing | 0.97Å | 0.95Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C10 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C11 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C13 | H44 | sing | 1.09Å | 1.10Å | |
| C14 | H45 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C15 | H47 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.09Å | 1.10Å | |
| C15 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 113.2° | 109.4° |
| C11 | C10 | C9 | 111.7° | 109.5° |
| C11 | C10 | H37 | 108.9° | 109.5° |
| C11 | C10 | H38 | 108.9° | 109.5° |
| C10 | C11 | H39 | 108.5° | 109.5° |
| C10 | C11 | H40 | 108.5° | 109.5° |
| C11 | C12 | C13 | 112.7° | 109.4° |
| C12 | C11 | H39 | 108.6° | 109.5° |
| C12 | C11 | H40 | 108.5° | 109.5° |
| C11 | C12 | H41 | 108.7° | 109.5° |
| C11 | C12 | H42 | 108.7° | 109.5° |
| C10 | C9 | C8 | 112.6° | 109.5° |
| C10 | C9 | H35 | 108.6° | 109.5° |
| C10 | C9 | H36 | 108.7° | 109.5° |
| C9 | C10 | H37 | 108.9° | 109.4° |
| C9 | C10 | H38 | 108.9° | 109.5° |
| C12 | C13 | C14 | 111.5° | 109.4° |
| C13 | C12 | H41 | 108.6° | 109.5° |
| C13 | C12 | H42 | 108.6° | 109.5° |
| C12 | C13 | H43 | 109.0° | 109.5° |
| C12 | C13 | H44 | 109.0° | 109.5° |
| C9 | C8 | C7 | 111.7° | 109.5° |
| C9 | C8 | H33 | 108.9° | 109.5° |
| C9 | C8 | H34 | 108.9° | 109.4° |
| C8 | C9 | H35 | 108.7° | 109.5° |
| C8 | C9 | H36 | 108.7° | 109.4° |
| C13 | C14 | C15 | 111.1° | 109.5° |
| C14 | C13 | H43 | 109.0° | 109.5° |
| C14 | C13 | H44 | 109.0° | 109.5° |
| C13 | C14 | H45 | 109.0° | 109.5° |
| C13 | C14 | H46 | 109.0° | 109.5° |
| C15 | C14 | H45 | 109.0° | 109.5° |
| C15 | C14 | H46 | 109.0° | 109.4° |
| C14 | C15 | H47 | 109.5° | 109.5° |
| C14 | C15 | H48 | 109.5° | 109.5° |
| C14 | C15 | H49 | 109.5° | 109.4° |
| C8 | C7 | C6 | 111.5° | 109.5° |
| C8 | C7 | H31 | 109.0° | 109.4° |
| C8 | C7 | H32 | 108.9° | 109.4° |
| C7 | C8 | H33 | 108.9° | 109.5° |
| C7 | C8 | H34 | 108.9° | 109.4° |
| C7 | C6 | C5 | 110.5° | 109.5° |
| C7 | C6 | H29 | 109.2° | 109.5° |
| C7 | C6 | H30 | 109.2° | 109.5° |
| C6 | C7 | H31 | 109.0° | 109.5° |
| C6 | C7 | H32 | 109.0° | 109.5° |
| C6 | C5 | C4 | 112.9° | 109.5° |
| C6 | C5 | H27 | 108.6° | 109.5° |
| C6 | C5 | H28 | 108.6° | 109.4° |
| C5 | C6 | H29 | 109.2° | 109.5° |
| C5 | C6 | H30 | 109.2° | 109.4° |
| C5 | C4 | C3 | 111.8° | 109.5° |
| C5 | C4 | H25 | 108.9° | 109.5° |
| C5 | C4 | H26 | 108.9° | 109.5° |
| C4 | C5 | H27 | 108.6° | 109.5° |
| C4 | C5 | H28 | 108.6° | 109.5° |
| C4 | C3 | C2 | 111.6° | 109.5° |
| C4 | C3 | H23 | 109.0° | 109.5° |
| C4 | C3 | H24 | 108.9° | 109.5° |
| C3 | C4 | H25 | 108.9° | 109.4° |
| C3 | C4 | H26 | 108.9° | 109.5° |
| C3 | C2 | O2 | 121.4° | 120.0° |
| C3 | C2 | O1 | 115.7° | 120.0° |
| C2 | C3 | H23 | 108.9° | 109.4° |
| C2 | C3 | H24 | 109.0° | 109.5° |
| O2 | C2 | O1 | 122.9° | 120.0° |
| C2 | O1 | C1 | 115.8° | 117.0° |
| O1 | C1 | C18 | 112.1° | 111.0° |
| O1 | C1 | C | 111.6° | 110.8° |
| O1 | C1 | H22 | 109.7° | 110.8° |
| O3 | C18 | C1 | 113.1° | 110.7° |
| O3 | C18 | O4 | 107.6° | 110.6° |
| C18 | O3 | H1 | 109.5° | 114.0° |
| O3 | C18 | H21 | 110.4° | 110.5° |
| C18 | C1 | C | 106.5° | 102.1° |
| C1 | C18 | O4 | 105.7° | 103.4° |
| C1 | C18 | H21 | 109.1° | 110.8° |
| C18 | C1 | H22 | 108.3° | 110.9° |
| C1 | C | O | 115.8° | 110.6° |
| C1 | C | C19 | 102.9° | 104.2° |
| C1 | C | H19 | 108.5° | 110.5° |
| C | C1 | H22 | 108.4° | 111.0° |
| C18 | O4 | C19 | 110.9° | 107.0° |
| O4 | C18 | H21 | 110.8° | 110.6° |
| O | C | C19 | 111.2° | 110.5° |
| O | C | H19 | 109.6° | 110.4° |
| C | O | H20 | 109.5° | 114.0° |
| C | C19 | O4 | 106.0° | 107.4° |
| C | C19 | C20 | 113.8° | 109.9° |
| C | C19 | H18 | 109.2° | 109.9° |
| C19 | C | H19 | 108.5° | 110.5° |
| O4 | C19 | C20 | 107.8° | 109.9° |
| O4 | C19 | H18 | 110.7° | 109.9° |
| C19 | C20 | O5 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.5° |
| C19 | C20 | H17 | 109.5° | 109.5° |
| C20 | C19 | H18 | 109.3° | 109.8° |
| C20 | O5 | P | 118.8° | 123.0° |
| O5 | C20 | H16 | 109.5° | 109.5° |
| O5 | C20 | H17 | 109.5° | 109.4° |
| O5 | P | O6 | 100.0° | 109.5° |
| O5 | P | O14 | 108.9° | 109.5° |
| O5 | P | O13 | 108.1° | 109.5° |
| O12 | P1 | O6 | 107.5° | 109.5° |
| O12 | P1 | O11 | 114.6° | 109.4° |
| O12 | P1 | O7 | 109.4° | 109.5° |
| P | O6 | P1 | 126.2° | 134.0° |
| O6 | P | O14 | 108.3° | 109.5° |
| O6 | P | O13 | 110.9° | 109.4° |
| O6 | P1 | O11 | 111.4° | 109.5° |
| O6 | P1 | O7 | 105.9° | 109.5° |
| O14 | P | O13 | 119.0° | 109.5° |
| O11 | P1 | O7 | 107.7° | 109.5° |
| P1 | O11 | H3 | 109.5° | 114.0° |
| P | O13 | H2 | 109.5° | 114.0° |
| P1 | O7 | C21 | 119.0° | 123.0° |
| O7 | C21 | C22 | 109.1° | 109.5° |
| O7 | C21 | H4 | 109.6° | 109.4° |
| O7 | C21 | H5 | 109.6° | 109.5° |
| C21 | C22 | C23 | 113.0° | 110.4° |
| C21 | C22 | O8 | 108.7° | 110.4° |
| C22 | C21 | H4 | 109.5° | 109.4° |
| C22 | C21 | H5 | 109.6° | 109.5° |
| C21 | C22 | H6 | 109.1° | 110.3° |
| N1 | C26 | N | 110.9° | 110.0° |
| C26 | N1 | C28 | 107.2° | 109.4° |
| N1 | C26 | H15 | 124.5° | 125.0° |
| C26 | N | C25 | 128.6° | 126.3° |
| C26 | N | C27 | 109.5° | 107.4° |
| N | C26 | H15 | 124.6° | 125.0° |
| N1 | C28 | C27 | 107.3° | 107.1° |
| N1 | C28 | C29 | 136.2° | 134.7° |
| C23 | C22 | O8 | 106.4° | 104.8° |
| C22 | C23 | C24 | 103.7° | 104.1° |
| C22 | C23 | O9 | 107.6° | 110.5° |
| C23 | C22 | H6 | 109.0° | 110.3° |
| C22 | C23 | H7 | 110.2° | 110.5° |
| C22 | O8 | C25 | 109.0° | 105.3° |
| O8 | C22 | H6 | 110.5° | 110.5° |
| C24 | C23 | O9 | 112.9° | 110.5° |
| C23 | C24 | C25 | 101.1° | 104.0° |
| C23 | C24 | O10 | 115.2° | 110.5° |
| C24 | C23 | H7 | 110.4° | 110.5° |
| C23 | C24 | H9 | 110.4° | 110.5° |
| O9 | C23 | H7 | 111.8° | 110.5° |
| C23 | O9 | H8 | 109.5° | 114.0° |
| O8 | C25 | C24 | 105.5° | 104.8° |
| O8 | C25 | N | 104.8° | 110.5° |
| O8 | C25 | H11 | 110.4° | 110.4° |
| C25 | C24 | O10 | 106.8° | 110.6° |
| C24 | C25 | N | 116.8° | 110.3° |
| C25 | C24 | H9 | 110.6° | 110.5° |
| C24 | C25 | H11 | 109.3° | 110.3° |
| O10 | C24 | H9 | 112.1° | 110.6° |
| C24 | O10 | H10 | 109.5° | 114.0° |
| C25 | N | C27 | 121.7° | 126.3° |
| N | C25 | H11 | 109.9° | 110.3° |
| N | C27 | C28 | 105.1° | 106.0° |
| N | C27 | N4 | 134.3° | 134.9° |
| C27 | C28 | C29 | 116.5° | 118.2° |
| C28 | C27 | N4 | 120.5° | 119.1° |
| C28 | C29 | N2 | 119.8° | 120.7° |
| C28 | C29 | N3 | 117.7° | 118.4° |
| N2 | C29 | N3 | 122.5° | 120.8° |
| C29 | N2 | H13 | 109.5° | 120.0° |
| C29 | N2 | H14 | 109.5° | 120.0° |
| C27 | N4 | C30 | 119.6° | 120.6° |
| C29 | N3 | C30 | 122.5° | 121.2° |
| N4 | C30 | N3 | 123.2° | 122.4° |
| N4 | C30 | H12 | 118.4° | 118.8° |
| N3 | C30 | H12 | 118.4° | 118.8° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H13 | N2 | H14 | 109.5° | 120.0° |
| H16 | C20 | H17 | 109.4° | 109.5° |
| H23 | C3 | H24 | 109.5° | 109.4° |
| H25 | C4 | H26 | 109.5° | 109.5° |
| H27 | C5 | H28 | 109.5° | 109.5° |
| H29 | C6 | H30 | 109.5° | 109.4° |
| H31 | C7 | H32 | 109.5° | 109.5° |
| H33 | C8 | H34 | 109.5° | 109.5° |
| H35 | C9 | H36 | 109.5° | 109.4° |
| H37 | C10 | H38 | 109.5° | 109.5° |
| H39 | C11 | H40 | 109.5° | 109.5° |
| H41 | C12 | H42 | 109.5° | 109.4° |
| H43 | C13 | H44 | 109.5° | 109.5° |
| H45 | C14 | H46 | 109.5° | 109.5° |
| H47 | C15 | H48 | 109.4° | 109.5° |
| H47 | C15 | H49 | 109.5° | 109.5° |
| H48 | C15 | H49 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H39 | 120.5° | 120.0° |
| C10 | C11 | C12 | H40 | 120.5° | 120.0° |
| C11 | C10 | C9 | H37 | 120.3° | 120.0° |
| C11 | C10 | C9 | H38 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 115.5° | 180.0° |
| C11 | C10 | C9 | C8 | 104.3° | 180.0° |
| C11 | C10 | C9 | H35 | 135.3° | 60.0° |
| C11 | C10 | C9 | H36 | 16.2° | 60.0° |
| C11 | C10 | H37 | H38 | 119.0° | 120.1° |
| C10 | C11 | H39 | H40 | 118.3° | 120.0° |
| C10 | C11 | C12 | H41 | 124.1° | 60.0° |
| C10 | C11 | C12 | H42 | 5.0° | 60.0° |
| C12 | C11 | C10 | C9 | 148.5° | 180.0° |
| C11 | C12 | C13 | H41 | 120.5° | 120.0° |
| C11 | C12 | C13 | H42 | 120.5° | 120.0° |
| C11 | C12 | C13 | C14 | 89.2° | 180.0° |
| C12 | C11 | C10 | H37 | 28.2° | 60.0° |
| C12 | C11 | C10 | H38 | 91.1° | 60.0° |
| C12 | C11 | H39 | H40 | 118.3° | 120.0° |
| C11 | C12 | H41 | H42 | 118.6° | 120.0° |
| C11 | C12 | C13 | H43 | 150.5° | 60.0° |
| C11 | C12 | C13 | H44 | 31.1° | 60.0° |
| C10 | C9 | C8 | H35 | 120.4° | 120.0° |
| C10 | C9 | C8 | H36 | 120.5° | 120.1° |
| C10 | C9 | C8 | C7 | 142.6° | 180.0° |
| C10 | C9 | C8 | H33 | 97.1° | 60.0° |
| C10 | C9 | C8 | H34 | 22.3° | 60.0° |
| C10 | C9 | H35 | H36 | 118.5° | 120.1° |
| C9 | C10 | H37 | H38 | 118.9° | 120.0° |
| C9 | C10 | C11 | H39 | 28.0° | 60.0° |
| C9 | C10 | C11 | H40 | 90.9° | 60.0° |
| C12 | C13 | C14 | H43 | 120.3° | 120.0° |
| C12 | C13 | C14 | H44 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 168.0° | 180.0° |
| C13 | C12 | C11 | H39 | 5.1° | 60.0° |
| C13 | C12 | C11 | H40 | 124.0° | 60.0° |
| C13 | C12 | H41 | H42 | 118.5° | 120.0° |
| C12 | C13 | H43 | H44 | 119.1° | 120.1° |
| C12 | C13 | C14 | H45 | 47.7° | 60.0° |
| C12 | C13 | C14 | H46 | 71.8° | 60.0° |
| C9 | C8 | C7 | H33 | 120.3° | 120.0° |
| C9 | C8 | C7 | H34 | 120.3° | 120.0° |
| C9 | C8 | C7 | C6 | 99.9° | 180.0° |
| C9 | C8 | C7 | H31 | 139.8° | 60.0° |
| C9 | C8 | C7 | H32 | 20.4° | 60.0° |
| C9 | C8 | H33 | H34 | 119.0° | 119.9° |
| C8 | C9 | H35 | H36 | 118.6° | 119.9° |
| C8 | C9 | C10 | H37 | 16.1° | 60.0° |
| C8 | C9 | C10 | H38 | 135.4° | 60.0° |
| C13 | C14 | C15 | H45 | 120.2° | 120.0° |
| C13 | C14 | C15 | H46 | 120.2° | 120.0° |
| C14 | C13 | C12 | H41 | 31.3° | 60.0° |
| C14 | C13 | C12 | H42 | 150.3° | 60.0° |
| C14 | C13 | H43 | H44 | 119.1° | 120.0° |
| C13 | C14 | H45 | H46 | 119.2° | 120.0° |
| C13 | C14 | C15 | H47 | 180.0° | 180.0° |
| C13 | C14 | C15 | H48 | 60.0° | 60.0° |
| C13 | C14 | C15 | H49 | 60.0° | 60.0° |
| C15 | C14 | C13 | H43 | 71.7° | 60.0° |
| C15 | C14 | C13 | H44 | 47.7° | 60.0° |
| C15 | C14 | H45 | H46 | 119.3° | 119.9° |
| C14 | C15 | H47 | H48 | 120.0° | 120.0° |
| C14 | C15 | H47 | H49 | 120.0° | 120.0° |
| C14 | C15 | H48 | H49 | 120.0° | 119.9° |
| C8 | C7 | C6 | H31 | 120.3° | 120.0° |
| C8 | C7 | C6 | H32 | 120.3° | 120.0° |
| C8 | C7 | C6 | C5 | 161.4° | 180.0° |
| C8 | C7 | C6 | H29 | 41.3° | 59.9° |
| C8 | C7 | C6 | H30 | 78.4° | 60.0° |
| C8 | C7 | H31 | H32 | 119.0° | 119.9° |
| C7 | C8 | H33 | H34 | 118.9° | 120.0° |
| C7 | C8 | C9 | H35 | 22.2° | 60.0° |
| C7 | C8 | C9 | H36 | 96.9° | 60.0° |
| C7 | C6 | C5 | H29 | 120.2° | 120.0° |
| C7 | C6 | C5 | H30 | 120.2° | 120.0° |
| C7 | C6 | C5 | C4 | 109.2° | 180.0° |
| C7 | C6 | C5 | H27 | 11.3° | 60.0° |
| C7 | C6 | C5 | H28 | 130.2° | 60.0° |
| C7 | C6 | H29 | H30 | 119.5° | 120.0° |
| C6 | C7 | H31 | H32 | 119.1° | 120.0° |
| C6 | C7 | C8 | H33 | 20.4° | 60.0° |
| C6 | C7 | C8 | H34 | 139.8° | 60.0° |
| C6 | C5 | C4 | H27 | 120.5° | 120.1° |
| C6 | C5 | C4 | H28 | 120.5° | 119.9° |
| C6 | C5 | C4 | C3 | 143.3° | 180.0° |
| C6 | C5 | C4 | H25 | 96.3° | 60.0° |
| C6 | C5 | C4 | H26 | 23.0° | 60.0° |
| C6 | C5 | H27 | H28 | 118.4° | 119.9° |
| C5 | C6 | H29 | H30 | 119.6° | 119.9° |
| C5 | C6 | C7 | H31 | 78.2° | 60.0° |
| C5 | C6 | C7 | H32 | 41.1° | 60.0° |
| C5 | C4 | C3 | H25 | 120.4° | 120.0° |
| C5 | C4 | C3 | H26 | 120.3° | 120.0° |
| C5 | C4 | C3 | C2 | 124.5° | 180.0° |
| C5 | C4 | C3 | H23 | 4.2° | 60.0° |
| C5 | C4 | C3 | H24 | 115.1° | 60.0° |
| C5 | C4 | H25 | H26 | 118.9° | 120.0° |
| C4 | C5 | H27 | H28 | 118.5° | 120.0° |
| C4 | C5 | C6 | H29 | 130.6° | 60.0° |
| C4 | C5 | C6 | H30 | 10.9° | 60.0° |
| C4 | C3 | C2 | H23 | 120.3° | 120.0° |
| C4 | C3 | C2 | H24 | 120.3° | 120.1° |
| C4 | C3 | C2 | O2 | 130.5° | 0.0° |
| C4 | C3 | C2 | O1 | 51.0° | 180.0° |
| C4 | C3 | H23 | H24 | 119.0° | 120.0° |
| C3 | C4 | H25 | H26 | 118.9° | 119.9° |
| C3 | C4 | C5 | H27 | 22.8° | 60.0° |
| C3 | C4 | C5 | H28 | 96.2° | 60.0° |
| C3 | C2 | O2 | O1 | 178.5° | 180.0° |
| C3 | C2 | O1 | C1 | 173.1° | 180.0° |
| C2 | C3 | H23 | H24 | 119.0° | 119.9° |
| C2 | C3 | C4 | H25 | 115.1° | 60.0° |
| C2 | C3 | C4 | H26 | 4.2° | 59.9° |
| O2 | C2 | O1 | C1 | 8.4° | 0.0° |
| O2 | C2 | C3 | H23 | 10.1° | 120.0° |
| O2 | C2 | C3 | H24 | 109.2° | 120.0° |
| C2 | O1 | C1 | C18 | 77.2° | 91.4° |
| C2 | O1 | C1 | C | 163.4° | 155.9° |
| C2 | O1 | C1 | H22 | 43.2° | 32.2° |
| O1 | C2 | C3 | H23 | 171.3° | 60.0° |
| O1 | C2 | C3 | H24 | 69.4° | 60.0° |
| O1 | C1 | C18 | O3 | 5.6° | 37.3° |
| O1 | C1 | C18 | C | 122.3° | 118.1° |
| O1 | C1 | C18 | H22 | 121.2° | 123.6° |
| O1 | C1 | C | H22 | 121.0° | 123.5° |
| O1 | C1 | C18 | O4 | 123.1° | 81.2° |
| O1 | C1 | C | O | 14.2° | 21.3° |
| O1 | C1 | C | C19 | 107.3° | 97.4° |
| O1 | C1 | C | H19 | 137.9° | 143.9° |
| O1 | C1 | C18 | H21 | 117.7° | 160.3° |
| O3 | C18 | C1 | O4 | 117.5° | 118.5° |
| O3 | C18 | C1 | H21 | 123.3° | 123.0° |
| O3 | C18 | C1 | C | 116.7° | 155.4° |
| O3 | C18 | O4 | H21 | 120.8° | 122.8° |
| O3 | C18 | O4 | C19 | 102.6° | 158.5° |
| O3 | C18 | C1 | H22 | 126.8° | 86.3° |
| C18 | C1 | C | H22 | 116.4° | 118.2° |
| C1 | C18 | O4 | H21 | 118.1° | 118.6° |
| C18 | C1 | C | O | 136.8° | 139.5° |
| C18 | C1 | C | C19 | 15.3° | 20.8° |
| C1 | C18 | O4 | C19 | 18.6° | 40.0° |
| C1 | C18 | O3 | H1 | 180.0° | 175.5° |
| C18 | C1 | C | H19 | 99.5° | 97.9° |
| C | C1 | C18 | O4 | 0.8° | 36.9° |
| C1 | C | O | C19 | 116.9° | 114.8° |
| C1 | C | O | H19 | 123.1° | 122.6° |
| C1 | C | C19 | H19 | 114.8° | 118.7° |
| C1 | C | C19 | O4 | 26.3° | 2.1° |
| C1 | C | C19 | C20 | 144.7° | 117.4° |
| C1 | C | C19 | H18 | 92.9° | 121.6° |
| C1 | C | O | H20 | 180.0° | 65.1° |
| C | C1 | C18 | H21 | 120.0° | 81.6° |
| C18 | O4 | C19 | C | 29.0° | 26.6° |
| C18 | O4 | C19 | C20 | 151.3° | 92.9° |
| O4 | C18 | O3 | H1 | 63.6° | 61.5° |
| C18 | O4 | C19 | H18 | 89.3° | 146.1° |
| O4 | C18 | C1 | H22 | 115.7° | 155.3° |
| O | C | C19 | H19 | 120.7° | 122.5° |
| O | C | C19 | O4 | 150.9° | 116.7° |
| O | C | C19 | C20 | 90.8° | 123.8° |
| O | C | C19 | H18 | 31.6° | 2.8° |
| O | C | C1 | H22 | 106.8° | 102.2° |
| C | C19 | O4 | C20 | 122.3° | 119.5° |
| C | C19 | O4 | H18 | 118.3° | 119.5° |
| C | C19 | C20 | H18 | 122.4° | 121.0° |
| C | C19 | C20 | O5 | 59.6° | 175.3° |
| C | C19 | C20 | H16 | 179.6° | 64.7° |
| C | C19 | C20 | H17 | 60.4° | 55.3° |
| C19 | C | O | H20 | 63.1° | 180.0° |
| C19 | C | C1 | H22 | 131.7° | 139.0° |
| O4 | C19 | C20 | H18 | 120.3° | 121.0° |
| O4 | C19 | C20 | O5 | 57.7° | 66.7° |
| O4 | C19 | C20 | H16 | 62.3° | 53.3° |
| O4 | C19 | C20 | H17 | 177.7° | 173.3° |
| O4 | C19 | C | H19 | 88.5° | 120.8° |
| C19 | O4 | C18 | H21 | 136.7° | 78.6° |
| C19 | C20 | O5 | H16 | 120.0° | 120.0° |
| C19 | C20 | O5 | H17 | 120.0° | 120.0° |
| C19 | C20 | O5 | P | 146.7° | 180.0° |
| C19 | C20 | H16 | H17 | 120.0° | 120.0° |
| C20 | C19 | C | H19 | 29.9° | 1.3° |
| C20 | O5 | P | O6 | 164.2° | 175.0° |
| C20 | O5 | P | O14 | 50.8° | 55.0° |
| C20 | O5 | P | O13 | 79.8° | 65.1° |
| O5 | C20 | H16 | H17 | 120.0° | 120.0° |
| O5 | C20 | C19 | H18 | 178.0° | 54.3° |
| O5 | P | O6 | O14 | 113.9° | 120.0° |
| O5 | P | O6 | O13 | 113.9° | 120.0° |
| O5 | P | O6 | P1 | 90.3° | 160.0° |
| O5 | P | O14 | O13 | 124.4° | 120.0° |
| O5 | P | O13 | H2 | 124.7° | 59.9° |
| P | O5 | C20 | H16 | 93.2° | 60.0° |
| P | O5 | C20 | H17 | 26.7° | 60.0° |
| O12 | P1 | O6 | P | 173.8° | 39.9° |
| O12 | P1 | O6 | O11 | 126.3° | 120.0° |
| O12 | P1 | O6 | O7 | 116.9° | 120.0° |
| O12 | P1 | O11 | O7 | 122.0° | 120.0° |
| O12 | P1 | O7 | C21 | 50.6° | 55.0° |
| O12 | P1 | O11 | H3 | 0.0° | 180.0° |
| O6 | P | O14 | O13 | 127.8° | 120.0° |
| P | O6 | P1 | O11 | 47.5° | 80.0° |
| P | O6 | P1 | O7 | 69.3° | 160.0° |
| O6 | P | O13 | H2 | 126.6° | 60.1° |
| P1 | O6 | P | O14 | 155.9° | 40.0° |
| O6 | P1 | O11 | O7 | 115.8° | 120.0° |
| P1 | O6 | P | O13 | 23.6° | 80.0° |
| O6 | P1 | O7 | C21 | 65.0° | 175.0° |
| O6 | P1 | O11 | H3 | 122.3° | 60.0° |
| O14 | P | O13 | H2 | 0.0° | 180.0° |
| O11 | P1 | O7 | C21 | 175.7° | 64.9° |
| P1 | O7 | C21 | C22 | 168.7° | 180.0° |
| O7 | P1 | O11 | H3 | 122.0° | 60.0° |
| P1 | O7 | C21 | H4 | 71.3° | 60.0° |
| P1 | O7 | C21 | H5 | 48.8° | 60.0° |
| O7 | C21 | C22 | H4 | 120.0° | 119.9° |
| O7 | C21 | C22 | H5 | 120.0° | 120.1° |
| O7 | C21 | C22 | C23 | 64.9° | 175.0° |
| O7 | C21 | C22 | O8 | 177.2° | 69.6° |
| O7 | C21 | H4 | H5 | 120.2° | 120.0° |
| O7 | C21 | C22 | H6 | 56.5° | 52.8° |
| C21 | C22 | C23 | O8 | 119.3° | 118.9° |
| C21 | C22 | C23 | H6 | 121.5° | 122.2° |
| C21 | C22 | O8 | H6 | 119.8° | 122.3° |
| C21 | C22 | C23 | C24 | 103.0° | 142.8° |
| C21 | C22 | C23 | O9 | 137.3° | 98.5° |
| C21 | C22 | O8 | C25 | 129.7° | 159.4° |
| C22 | C21 | H4 | H5 | 120.1° | 120.0° |
| C21 | C22 | C23 | H7 | 15.2° | 24.2° |
| N1 | C26 | N | H15 | 180.0° | 179.6° |
| N1 | C26 | N | C25 | 177.2° | 179.9° |
| N1 | C26 | N | C27 | 0.6° | 0.4° |
| C26 | N1 | C28 | C27 | 0.0° | 0.2° |
| C26 | N1 | C28 | C29 | 179.0° | 179.7° |
| N | C26 | N1 | C28 | 0.4° | 0.4° |
| C26 | N | C25 | O8 | 75.2° | 20.1° |
| C26 | N | C25 | C24 | 41.1° | 95.3° |
| C26 | N | C25 | C27 | 176.2° | 179.7° |
| C26 | N | C27 | C28 | 0.6° | 0.2° |
| C26 | N | C27 | N4 | 179.4° | 179.7° |
| C26 | N | C25 | H11 | 166.2° | 142.5° |
| N1 | C28 | C27 | N | 0.4° | 0.0° |
| N1 | C28 | C27 | C29 | 179.2° | 179.9° |
| N1 | C28 | C29 | N2 | 1.0° | 0.1° |
| N1 | C28 | C27 | N4 | 179.6° | 179.9° |
| N1 | C28 | C29 | N3 | 179.7° | 179.9° |
| C28 | N1 | C26 | H15 | 179.7° | 180.0° |
| C23 | C22 | O8 | H6 | 118.2° | 118.8° |
| C22 | C23 | C24 | O9 | 116.1° | 118.7° |
| C22 | C23 | C24 | H7 | 118.0° | 118.6° |
| C22 | C23 | O9 | H7 | 121.1° | 122.7° |
| C23 | C22 | O8 | C25 | 7.7° | 40.5° |
| C22 | C23 | C24 | C25 | 32.3° | 0.0° |
| C22 | C23 | C24 | O10 | 146.9° | 118.7° |
| C23 | C22 | C21 | H4 | 175.1° | 65.1° |
| C23 | C22 | C21 | H5 | 55.0° | 55.0° |
| C22 | C23 | O9 | H8 | 180.0° | 180.0° |
| C22 | C23 | C24 | H9 | 84.9° | 118.6° |
| O8 | C22 | C23 | C24 | 16.3° | 23.9° |
| O8 | C22 | C23 | O9 | 103.5° | 142.6° |
| C22 | O8 | C25 | C24 | 29.2° | 40.5° |
| C22 | O8 | C25 | N | 153.0° | 159.4° |
| O8 | C22 | C21 | H4 | 57.2° | 50.4° |
| O8 | C22 | C21 | H5 | 62.9° | 170.4° |
| O8 | C22 | C23 | H7 | 134.5° | 94.7° |
| C22 | O8 | C25 | H11 | 88.7° | 78.3° |
| C24 | C23 | O9 | H7 | 125.2° | 122.7° |
| C23 | C24 | C25 | O8 | 37.9° | 24.0° |
| C23 | C24 | C25 | O10 | 120.8° | 118.6° |
| C23 | C24 | C25 | H9 | 117.0° | 118.6° |
| C23 | C24 | O10 | H9 | 127.4° | 122.7° |
| C23 | C24 | C25 | N | 153.8° | 143.0° |
| C24 | C23 | C22 | H6 | 135.5° | 95.0° |
| C24 | C23 | O9 | H8 | 66.3° | 65.3° |
| C23 | C24 | O10 | H10 | 180.0° | 61.5° |
| C23 | C24 | C25 | H11 | 80.7° | 94.9° |
| O9 | C23 | C24 | C25 | 83.8° | 118.7° |
| O9 | C23 | C24 | O10 | 30.8° | 0.0° |
| O9 | C23 | C22 | H6 | 15.7° | 23.7° |
| O9 | C23 | C24 | H9 | 159.0° | 122.7° |
| O8 | C25 | C24 | N | 115.9° | 119.0° |
| O8 | C25 | C24 | H11 | 118.7° | 118.9° |
| O8 | C25 | C24 | O10 | 158.8° | 142.6° |
| O8 | C25 | N | H11 | 118.6° | 122.4° |
| O8 | C25 | N | C27 | 101.0° | 159.6° |
| C25 | O8 | C22 | H6 | 110.6° | 78.3° |
| O8 | C25 | C24 | H9 | 79.1° | 94.6° |
| C25 | C24 | O10 | H9 | 121.3° | 122.7° |
| C24 | C25 | N | H11 | 125.1° | 122.2° |
| C24 | C25 | N | C27 | 142.7° | 84.9° |
| C25 | C24 | C23 | H7 | 150.3° | 118.6° |
| C25 | C24 | O10 | H10 | 68.7° | 176.1° |
| O10 | C24 | C25 | N | 85.4° | 98.4° |
| O10 | C24 | C23 | H7 | 95.1° | 122.7° |
| O10 | C24 | C25 | H11 | 40.1° | 23.7° |
| C25 | N | C27 | C28 | 177.5° | 180.0° |
| C25 | N | C27 | N4 | 2.5° | 0.1° |
| N | C25 | C24 | H9 | 36.8° | 24.3° |
| C25 | N | C26 | H15 | 2.8° | 0.3° |
| N | C27 | C28 | N4 | 180.0° | 179.9° |
| N | C27 | C28 | C29 | 179.6° | 180.0° |
| N | C27 | N4 | C30 | 179.7° | 179.9° |
| C27 | N | C25 | H11 | 17.6° | 37.2° |
| C27 | N | C26 | H15 | 179.4° | 180.0° |
| C27 | C28 | C29 | N2 | 180.0° | 180.0° |
| C27 | C28 | C29 | N3 | 0.7° | 0.0° |
| C28 | C27 | N4 | C30 | 0.3° | 0.0° |
| C28 | C29 | N2 | N3 | 179.3° | 180.0° |
| C29 | C28 | C27 | N4 | 0.4° | 0.0° |
| C28 | C29 | N3 | C30 | 1.0° | 0.0° |
| C28 | C29 | N2 | H13 | 179.2° | 180.0° |
| C28 | C29 | N2 | H14 | 60.7° | 0.0° |
| N2 | C29 | N3 | C30 | 179.7° | 180.0° |
| C29 | N2 | H13 | H14 | 120.0° | 179.9° |
| C27 | N4 | C30 | N3 | 0.5° | 0.0° |
| C27 | N4 | C30 | H12 | 179.5° | 179.9° |
| C29 | N3 | C30 | N4 | 0.9° | 0.0° |
| C29 | N3 | C30 | H12 | 179.1° | 179.9° |
| N3 | C29 | N2 | H13 | 0.0° | 0.0° |
| N3 | C29 | N2 | H14 | 120.0° | 180.0° |
| N4 | C30 | N3 | H12 | 180.0° | 179.9° |
| H1 | O3 | C18 | H21 | 57.4° | 61.4° |
| H4 | C21 | C22 | H6 | 63.4° | 172.8° |
| H5 | C21 | C22 | H6 | 176.5° | 67.2° |
| H6 | C22 | C23 | H7 | 106.3° | 146.4° |
| H7 | C23 | O9 | H8 | 58.9° | 57.4° |
| H7 | C23 | C24 | H9 | 33.2° | 0.0° |
| H9 | C24 | O10 | H10 | 52.6° | 61.2° |
| H9 | C24 | C25 | H11 | 162.3° | 146.5° |
| H16 | C20 | C19 | H18 | 58.0° | 174.3° |
| H17 | C20 | C19 | H18 | 61.9° | 65.7° |
| H18 | C19 | C | H19 | 152.3° | 119.7° |
| H19 | C | O | H20 | 56.9° | 57.5° |
| H19 | C | C1 | H22 | 16.9° | 20.3° |
| H21 | C18 | C1 | H22 | 3.5° | 36.7° |
| H23 | C3 | C4 | H25 | 124.6° | 180.0° |
| H23 | C3 | C4 | H26 | 116.1° | 60.0° |
| H24 | C3 | C4 | H25 | 5.2° | 60.0° |
| H24 | C3 | C4 | H26 | 124.5° | 180.0° |
| H25 | C4 | C5 | H27 | 143.2° | 180.0° |
| H25 | C4 | C5 | H28 | 24.2° | 59.9° |
| H26 | C4 | C5 | H27 | 97.5° | 60.0° |
| H26 | C4 | C5 | H28 | 143.5° | 180.0° |
| H27 | C5 | C6 | H29 | 108.9° | NaN° |
| H27 | C5 | C6 | H30 | 131.4° | 60.0° |
| H28 | C5 | C6 | H29 | 10.1° | 60.0° |
| H28 | C5 | C6 | H30 | 109.6° | 180.0° |
| H29 | C6 | C7 | H31 | 161.6° | 180.0° |
| H29 | C6 | C7 | H32 | 79.0° | 60.0° |
| H30 | C6 | C7 | H31 | 41.9° | 60.0° |
| H30 | C6 | C7 | H32 | 161.3° | 180.0° |
| H31 | C7 | C8 | H33 | 99.9° | 180.0° |
| H31 | C7 | C8 | H34 | 19.4° | 60.0° |
| H32 | C7 | C8 | H33 | 140.7° | 60.0° |
| H32 | C7 | C8 | H34 | 99.9° | 179.9° |
| H33 | C8 | C9 | H35 | 142.5° | 180.0° |
| H33 | C8 | C9 | H36 | 23.4° | 60.1° |
| H34 | C8 | C9 | H35 | 98.2° | 60.0° |
| H34 | C8 | C9 | H36 | 142.8° | 180.0° |
| H35 | C9 | C10 | H37 | 104.4° | 180.0° |
| H35 | C9 | C10 | H38 | 14.9° | 60.0° |
| H36 | C9 | C10 | H37 | 136.6° | 60.0° |
| H36 | C9 | C10 | H38 | 104.1° | 180.0° |
| H37 | C10 | C11 | H39 | 92.4° | 180.0° |
| H37 | C10 | C11 | H40 | 148.7° | 60.0° |
| H38 | C10 | C11 | H39 | 148.3° | 60.0° |
| H38 | C10 | C11 | H40 | 29.4° | 180.0° |
| H39 | C11 | C12 | H41 | 115.4° | 180.0° |
| H39 | C11 | C12 | H42 | 125.5° | 60.0° |
| H40 | C11 | C12 | H41 | 3.5° | 60.0° |
| H40 | C11 | C12 | H42 | 115.5° | 180.0° |
| H41 | C12 | C13 | H43 | 89.0° | 180.0° |
| H41 | C12 | C13 | H44 | 151.6° | 60.0° |
| H42 | C12 | C13 | H43 | 30.0° | 60.0° |
| H42 | C12 | C13 | H44 | 89.4° | 180.0° |
| H43 | C13 | C14 | H45 | 168.0° | 180.0° |
| H43 | C13 | C14 | H46 | 48.5° | 60.0° |
| H44 | C13 | C14 | H45 | 72.6° | 60.0° |
| H44 | C13 | C14 | H46 | 167.9° | 179.9° |
| H45 | C14 | C15 | H47 | 59.8° | 60.0° |
| H45 | C14 | C15 | H48 | 179.7° | 180.0° |
| H45 | C14 | C15 | H49 | 60.2° | 60.1° |
| H46 | C14 | C15 | H47 | 59.8° | 60.0° |
| H46 | C14 | C15 | H48 | 60.2° | 60.0° |
| H46 | C14 | C15 | H49 | 179.8° | 180.0° |
| H47 | C15 | H48 | H49 | 120.0° | 120.0° |
