QRH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.44Å | 1.43Å | |
| O12 | C13 | sing | 1.36Å | 1.37Å | |
| C11 | O10 | sing | 1.44Å | 1.43Å | |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C07 | doub | 1.40Å | 1.40Å | Aromatic |
| O10 | C09 | sing | 1.37Å | 1.38Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.47Å | 1.53Å | |
| C06 | C05 | doub | 1.35Å | 1.33Å | |
| C05 | C04 | sing | 1.41Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C20 | C19 | sing | 1.53Å | 1.58Å | |
| C21 | C22 | sing | 1.53Å | 1.60Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | doub | 1.36Å | 1.35Å | |
| C29 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C22 | P23 | sing | 1.87Å | 1.90Å | |
| C03 | C02 | sing | 1.42Å | 1.52Å | |
| C38 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | P23 | sing | 1.87Å | 1.88Å | |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | P23 | sing | 1.87Å | 1.83Å | |
| C36 | C41 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C02 | N16 | sing | 1.35Å | 1.40Å | |
| P23 | C30 | sing | 1.87Å | 1.83Å | |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N16 | sing | 1.46Å | 1.44Å | |
| C30 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å | |
| C40 | H35 | sing | 1.08Å | 1.08Å | |
| C41 | H36 | sing | 1.08Å | 1.08Å | |
| N16 | H37 | sing | 0.97Å | 1.00Å | |
| P23 | H38 | sing | 1.47Å | 128.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O12 | C13 | 107.9° | 105.5° |
| O12 | C11 | O10 | 105.5° | 103.8° |
| O12 | C11 | H6 | 110.5° | 110.6° |
| O12 | C11 | H7 | 110.5° | 110.7° |
| O12 | C13 | C14 | 131.9° | 131.3° |
| O12 | C13 | C09 | 109.5° | 108.6° |
| C11 | O10 | C09 | 108.8° | 105.5° |
| O10 | C11 | H6 | 110.5° | 110.5° |
| O10 | C11 | H7 | 110.5° | 110.6° |
| C13 | C14 | C15 | 119.6° | 120.3° |
| C14 | C13 | C09 | 118.6° | 120.1° |
| C13 | C14 | H8 | 120.2° | 119.9° |
| C14 | C15 | C07 | 123.9° | 119.9° |
| C15 | C14 | H8 | 120.2° | 119.8° |
| C14 | C15 | H9 | 118.1° | 120.0° |
| C13 | C09 | O10 | 106.8° | 108.5° |
| C13 | C09 | C08 | 120.8° | 120.1° |
| C15 | C07 | C08 | 114.8° | 119.8° |
| C15 | C07 | C06 | 122.0° | 120.1° |
| C07 | C15 | H9 | 118.1° | 120.0° |
| O10 | C09 | C08 | 132.3° | 131.4° |
| C09 | C08 | C07 | 122.3° | 119.9° |
| C09 | C08 | H5 | 118.9° | 120.1° |
| C08 | C07 | C06 | 123.2° | 120.2° |
| C07 | C08 | H5 | 118.8° | 120.0° |
| C07 | C06 | C05 | 125.7° | 120.0° |
| C07 | C06 | H4 | 117.1° | 120.0° |
| C06 | C05 | C04 | 148.7° | 120.0° |
| C06 | C05 | H3 | 105.6° | 120.0° |
| C05 | C06 | H4 | 117.1° | 120.0° |
| C05 | C04 | C03 | 138.4° | 120.0° |
| C05 | C04 | H2 | 110.8° | 120.0° |
| C04 | C05 | H3 | 105.7° | 120.0° |
| C21 | C20 | C19 | 118.0° | 109.5° |
| C20 | C21 | C22 | 123.1° | 109.5° |
| C21 | C20 | H16 | 107.3° | 109.5° |
| C21 | C20 | H17 | 107.3° | 109.5° |
| C20 | C21 | H18 | 106.0° | 109.5° |
| C20 | C21 | H19 | 106.0° | 109.5° |
| C20 | C19 | C18 | 118.0° | 109.5° |
| C20 | C19 | H14 | 107.3° | 109.5° |
| C20 | C19 | H15 | 107.3° | 109.4° |
| C19 | C20 | H16 | 107.3° | 109.5° |
| C19 | C20 | H17 | 107.3° | 109.4° |
| C21 | C22 | P23 | 124.1° | 109.5° |
| C22 | C21 | H18 | 106.0° | 109.5° |
| C22 | C21 | H19 | 106.0° | 109.5° |
| C21 | C22 | H20 | 105.7° | 109.5° |
| C21 | C22 | H21 | 105.7° | 109.5° |
| C19 | C18 | C17 | 117.6° | 109.5° |
| C19 | C18 | H12 | 107.4° | 109.6° |
| C19 | C18 | H13 | 107.4° | 109.5° |
| C18 | C19 | H14 | 107.3° | 109.5° |
| C18 | C19 | H15 | 107.3° | 109.5° |
| C29 | C28 | C27 | 121.7° | 120.0° |
| C28 | C29 | C24 | 125.5° | 120.0° |
| C29 | C28 | H25 | 119.2° | 120.0° |
| C28 | C29 | H26 | 117.3° | 120.0° |
| C28 | C27 | C26 | 115.8° | 120.0° |
| C28 | C27 | H24 | 122.1° | 120.0° |
| C27 | C28 | H25 | 119.2° | 120.0° |
| C04 | C03 | C02 | 115.4° | 120.0° |
| C04 | C03 | H1 | 122.3° | 120.0° |
| C03 | C04 | H2 | 110.8° | 120.0° |
| C29 | C24 | P23 | 127.2° | 120.0° |
| C29 | C24 | C25 | 109.4° | 120.0° |
| C24 | C29 | H26 | 117.2° | 120.0° |
| C27 | C26 | C25 | 120.7° | 120.0° |
| C27 | C26 | H23 | 119.7° | 120.0° |
| C26 | C27 | H24 | 122.1° | 120.0° |
| C18 | C17 | N16 | 109.0° | 109.5° |
| C18 | C17 | H10 | 109.6° | 109.5° |
| C18 | C17 | H11 | 109.6° | 109.5° |
| C17 | C18 | H12 | 107.4° | 109.4° |
| C17 | C18 | H13 | 107.4° | 109.4° |
| C22 | P23 | C24 | 112.8° | 120.0° |
| C22 | P23 | C36 | 104.8° | 90.0° |
| C22 | P23 | C30 | 105.1° | 120.0° |
| P23 | C22 | H20 | 105.7° | 109.5° |
| P23 | C22 | H21 | 105.7° | 109.4° |
| C22 | P23 | H38 | 104.4° | 90.0° |
| C03 | C02 | O01 | 117.6° | 120.0° |
| C03 | C02 | N16 | 118.7° | 120.0° |
| C02 | C03 | H1 | 122.3° | 120.0° |
| C37 | C38 | C39 | 121.3° | 120.0° |
| C38 | C37 | C36 | 125.4° | 120.0° |
| C38 | C37 | H32 | 117.3° | 120.1° |
| C37 | C38 | H33 | 119.4° | 120.0° |
| C38 | C39 | C40 | 116.2° | 120.0° |
| C39 | C38 | H33 | 119.4° | 120.0° |
| C38 | C39 | H34 | 121.9° | 120.0° |
| C37 | C36 | P23 | 126.3° | 120.0° |
| C37 | C36 | C41 | 110.3° | 120.0° |
| C36 | C37 | H32 | 117.3° | 119.9° |
| P23 | C24 | C25 | 123.4° | 120.0° |
| C24 | P23 | C36 | 110.7° | 90.0° |
| C24 | P23 | C30 | 109.0° | 120.0° |
| C24 | P23 | H38 | 31.3° | 90.0° |
| C24 | C25 | C26 | 127.0° | 120.0° |
| C24 | C25 | H22 | 116.5° | 120.1° |
| C39 | C40 | C41 | 120.7° | 120.0° |
| C40 | C39 | H34 | 121.9° | 120.0° |
| C39 | C40 | H35 | 119.6° | 120.0° |
| P23 | C36 | C41 | 123.4° | 120.0° |
| C36 | P23 | C30 | 114.4° | 90.0° |
| C36 | P23 | H38 | 140.1° | 180.0° |
| C36 | C41 | C40 | 126.1° | 120.0° |
| C36 | C41 | H36 | 117.0° | 120.0° |
| C26 | C25 | H22 | 116.5° | 120.0° |
| C25 | C26 | H23 | 119.6° | 120.0° |
| O01 | C02 | N16 | 123.7° | 120.0° |
| C02 | N16 | C17 | 122.9° | 120.0° |
| C02 | N16 | H37 | 118.6° | 120.0° |
| P23 | C30 | C31 | 125.2° | 120.0° |
| P23 | C30 | C35 | 124.6° | 120.0° |
| C30 | P23 | H38 | 83.1° | 90.0° |
| C41 | C40 | H35 | 119.7° | 120.1° |
| C40 | C41 | H36 | 117.0° | 120.0° |
| N16 | C17 | H10 | 109.6° | 109.5° |
| N16 | C17 | H11 | 109.6° | 109.4° |
| C17 | N16 | H37 | 118.5° | 120.0° |
| C31 | C30 | C35 | 110.2° | 120.0° |
| C30 | C31 | C32 | 125.9° | 120.0° |
| C30 | C31 | H27 | 117.1° | 120.0° |
| C30 | C35 | C34 | 125.6° | 120.0° |
| C30 | C35 | H31 | 117.2° | 120.0° |
| C31 | C32 | C33 | 120.9° | 120.0° |
| C32 | C31 | H27 | 117.0° | 120.0° |
| C31 | C32 | H28 | 119.6° | 120.0° |
| C35 | C34 | C33 | 121.4° | 120.0° |
| C35 | C34 | H30 | 119.3° | 120.0° |
| C34 | C35 | H31 | 117.2° | 120.0° |
| C32 | C33 | C34 | 116.1° | 120.0° |
| C33 | C32 | H28 | 119.6° | 120.0° |
| C32 | C33 | H29 | 122.0° | 120.0° |
| C34 | C33 | H29 | 122.0° | 120.0° |
| C33 | C34 | H30 | 119.3° | 119.9° |
| H6 | C11 | H7 | 109.4° | 110.5° |
| H10 | C17 | H11 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | O10 | H6 | 119.4° | 118.5° |
| O12 | C11 | O10 | H7 | 119.4° | 118.7° |
| C11 | O12 | C13 | C14 | 172.3° | 162.6° |
| C11 | O12 | C13 | C09 | 7.7° | 17.4° |
| O12 | C11 | O10 | C09 | 12.3° | 27.2° |
| O12 | C11 | H6 | H7 | 121.9° | 122.9° |
| C13 | O12 | C11 | O10 | 12.1° | 27.3° |
| O12 | C13 | C14 | C09 | 180.0° | 180.0° |
| O12 | C13 | C14 | C15 | 179.9° | 179.8° |
| O12 | C13 | C09 | O10 | 0.0° | 0.1° |
| O12 | C13 | C09 | C08 | 180.0° | 180.0° |
| C13 | O12 | C11 | H6 | 107.3° | 145.8° |
| C13 | O12 | C11 | H7 | 131.5° | 91.4° |
| O12 | C13 | C14 | H8 | 0.1° | 0.0° |
| C11 | O10 | C09 | C13 | 7.7° | 17.3° |
| C11 | O10 | C09 | C08 | 172.3° | 162.6° |
| O10 | C11 | H6 | H7 | 121.8° | 122.7° |
| C13 | C14 | C15 | H8 | 180.0° | 179.8° |
| C13 | C14 | C15 | C07 | 0.2° | 0.5° |
| C14 | C13 | C09 | O10 | 179.9° | 180.0° |
| C14 | C13 | C09 | C08 | 0.0° | 0.0° |
| C13 | C14 | C15 | H9 | 179.7° | 180.0° |
| C15 | C14 | C13 | C09 | 0.1° | 0.2° |
| C14 | C15 | C07 | H9 | 180.0° | 179.5° |
| C14 | C15 | C07 | C08 | 0.6° | 0.5° |
| C14 | C15 | C07 | C06 | 178.9° | 179.8° |
| C13 | C09 | O10 | C08 | 180.0° | 179.9° |
| C13 | C09 | C08 | C07 | 0.4° | 0.1° |
| C13 | C09 | C08 | H5 | 179.6° | 180.0° |
| C09 | C13 | C14 | H8 | 179.9° | 180.0° |
| C15 | C07 | C08 | C09 | 0.7° | 0.3° |
| C15 | C07 | C08 | C06 | 178.2° | 179.8° |
| C15 | C07 | C06 | C05 | 106.3° | 0.2° |
| C15 | C07 | C06 | H4 | 73.7° | 179.8° |
| C15 | C07 | C08 | H5 | 179.3° | 179.8° |
| C07 | C15 | C14 | H8 | 179.8° | 179.8° |
| O10 | C09 | C08 | C07 | 179.6° | 180.0° |
| O10 | C09 | C08 | H5 | 0.4° | 0.1° |
| C09 | O10 | C11 | H6 | 107.1° | 145.8° |
| C09 | O10 | C11 | H7 | 131.6° | 91.5° |
| C09 | C08 | C07 | H5 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 178.9° | 180.0° |
| C08 | C07 | C06 | C05 | 71.8° | 180.0° |
| C08 | C07 | C06 | H4 | 108.2° | 0.0° |
| C08 | C07 | C15 | H9 | 179.3° | 180.0° |
| C07 | C06 | C05 | H4 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 178.1° | 179.9° |
| C07 | C06 | C05 | H3 | 1.9° | 0.0° |
| C06 | C07 | C08 | H5 | 1.1° | 0.1° |
| C06 | C07 | C15 | H9 | 1.1° | 0.2° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 71.4° | 180.0° |
| C06 | C05 | C04 | H2 | 108.5° | 0.0° |
| C05 | C04 | C03 | H2 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 177.1° | 180.0° |
| C05 | C04 | C03 | H1 | 2.9° | 0.1° |
| C04 | C05 | C06 | H4 | 1.9° | 0.0° |
| C21 | C20 | C19 | H16 | 121.2° | 120.0° |
| C21 | C20 | C19 | H17 | 121.2° | 120.0° |
| C20 | C21 | C22 | H18 | 121.9° | 120.0° |
| C20 | C21 | C22 | H19 | 121.9° | 120.0° |
| C21 | C20 | C19 | C18 | 45.5° | 180.0° |
| C20 | C21 | C22 | P23 | 137.2° | 180.0° |
| C21 | C20 | C19 | H14 | 75.8° | 60.0° |
| C21 | C20 | C19 | H15 | 166.7° | 60.0° |
| C21 | C20 | H16 | H17 | 116.2° | 120.0° |
| C20 | C21 | H18 | H19 | 113.9° | 120.0° |
| C20 | C21 | C22 | H20 | 100.8° | 60.0° |
| C20 | C21 | C22 | H21 | 15.1° | 60.0° |
| C19 | C20 | C21 | C22 | 18.6° | 180.0° |
| C20 | C19 | C18 | H14 | 121.2° | 120.0° |
| C20 | C19 | C18 | H15 | 121.2° | 120.0° |
| C20 | C19 | C18 | C17 | 140.0° | 180.0° |
| C20 | C19 | C18 | H12 | 98.9° | 60.0° |
| C20 | C19 | C18 | H13 | 18.8° | 60.0° |
| C20 | C19 | H14 | H15 | 116.1° | 120.0° |
| C19 | C20 | H16 | H17 | 116.1° | 120.0° |
| C19 | C20 | C21 | H18 | 103.3° | 60.0° |
| C19 | C20 | C21 | H19 | 140.4° | 59.9° |
| C21 | C22 | P23 | H20 | 122.0° | 120.1° |
| C21 | C22 | P23 | H21 | 122.0° | 120.0° |
| C21 | C22 | P23 | C24 | 34.2° | 170.7° |
| C21 | C22 | P23 | C36 | 86.3° | 99.2° |
| C21 | C22 | P23 | C30 | 152.8° | 9.2° |
| C22 | C21 | C20 | H16 | 102.6° | 60.0° |
| C22 | C21 | C20 | H17 | 139.8° | 60.0° |
| C22 | C21 | H18 | H19 | 113.9° | 120.0° |
| C21 | C22 | H20 | H21 | 113.4° | 120.1° |
| C21 | C22 | P23 | H38 | 66.1° | 80.8° |
| C19 | C18 | C17 | H12 | 121.1° | 120.1° |
| C19 | C18 | C17 | H13 | 121.1° | 120.0° |
| C19 | C18 | C17 | N16 | 133.3° | 179.9° |
| C19 | C18 | C17 | H10 | 106.8° | 60.0° |
| C19 | C18 | C17 | H11 | 13.3° | 60.0° |
| C19 | C18 | H12 | H13 | 116.3° | 120.0° |
| C18 | C19 | H14 | H15 | 116.1° | 120.0° |
| C18 | C19 | C20 | H16 | 166.7° | 60.0° |
| C18 | C19 | C20 | H17 | 75.8° | 60.0° |
| C29 | C28 | C27 | H25 | 180.0° | 179.4° |
| C28 | C29 | C24 | H26 | 180.0° | 179.4° |
| C29 | C28 | C27 | C26 | 0.0° | 0.2° |
| C28 | C29 | C24 | P23 | 179.7° | 179.7° |
| C28 | C29 | C24 | C25 | 0.1° | 0.6° |
| C29 | C28 | C27 | H24 | 180.0° | 179.7° |
| C27 | C28 | C29 | C24 | 0.1° | 0.6° |
| C28 | C27 | C26 | H24 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.0° | 0.1° |
| C28 | C27 | C26 | H23 | 180.0° | 180.0° |
| C27 | C28 | C29 | H26 | 179.9° | 180.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 80.9° | 0.0° |
| C04 | C03 | C02 | N16 | 100.5° | 179.8° |
| C03 | C04 | C05 | H3 | 108.5° | 0.1° |
| C29 | C24 | P23 | C22 | 46.5° | 10.6° |
| C29 | C24 | P23 | C25 | 179.5° | 179.8° |
| C29 | C24 | P23 | C36 | 70.6° | 79.5° |
| C29 | C24 | C25 | C26 | 0.1° | 0.3° |
| C29 | C24 | P23 | C30 | 162.8° | 169.5° |
| C29 | C24 | C25 | H22 | 179.9° | 179.7° |
| C24 | C29 | C28 | H25 | 179.9° | 180.0° |
| C29 | C24 | P23 | H38 | 126.6° | 100.6° |
| C27 | C26 | C25 | C24 | 0.0° | 0.1° |
| C27 | C26 | C25 | H23 | 180.0° | 179.9° |
| C27 | C26 | C25 | H22 | 180.0° | 180.0° |
| C26 | C27 | C28 | H25 | 180.0° | 179.7° |
| C18 | C17 | N16 | C02 | 82.6° | 180.0° |
| C18 | C17 | N16 | H10 | 119.9° | 120.1° |
| C18 | C17 | N16 | H11 | 119.9° | 120.0° |
| C18 | C17 | H10 | H11 | 120.2° | 120.0° |
| C17 | C18 | H12 | H13 | 116.3° | 119.9° |
| C17 | C18 | C19 | H14 | 18.7° | 60.0° |
| C17 | C18 | C19 | H15 | 98.8° | 60.0° |
| C18 | C17 | N16 | H37 | 97.4° | 0.0° |
| C22 | P23 | C36 | C37 | 123.4° | 30.4° |
| C22 | P23 | C24 | C36 | 117.1° | 90.0° |
| C22 | P23 | C24 | C30 | 116.3° | 179.9° |
| C22 | P23 | C24 | H38 | 80.2° | 90.0° |
| C22 | P23 | C24 | C25 | 133.0° | 169.2° |
| C22 | P23 | C36 | C30 | 114.5° | 120.0° |
| C22 | P23 | C36 | H38 | 135.8° | 155.8° |
| C22 | P23 | C36 | C41 | 54.4° | 149.8° |
| C22 | P23 | C30 | H38 | 103.2° | 90.0° |
| C22 | P23 | C30 | C31 | 84.8° | 162.3° |
| C22 | P23 | C30 | C35 | 95.2° | 17.3° |
| P23 | C22 | C21 | H18 | 15.3° | 60.0° |
| P23 | C22 | C21 | H19 | 101.0° | 60.0° |
| P23 | C22 | H20 | H21 | 113.4° | 119.9° |
| C03 | C02 | O01 | N16 | 178.5° | 179.8° |
| C03 | C02 | N16 | C17 | 2.2° | 179.7° |
| C02 | C03 | C04 | H2 | 2.9° | 0.0° |
| C03 | C02 | N16 | H37 | 177.9° | 0.2° |
| C37 | C38 | C39 | H33 | 180.0° | 180.0° |
| C38 | C37 | C36 | H32 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C38 | C37 | C36 | P23 | 179.2° | 180.0° |
| C38 | C37 | C36 | C41 | 1.2° | 0.2° |
| C37 | C38 | C39 | H34 | 180.0° | 179.9° |
| C39 | C38 | C37 | C36 | 0.6° | 0.0° |
| C38 | C39 | C40 | H34 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.0° | 0.2° |
| C39 | C38 | C37 | H32 | 179.4° | 180.0° |
| C38 | C39 | C40 | H35 | 180.0° | 180.0° |
| C37 | C36 | P23 | C24 | 1.5° | 150.4° |
| C37 | C36 | P23 | C41 | 177.8° | 179.7° |
| C37 | C36 | P23 | C30 | 122.1° | 89.6° |
| C37 | C36 | C41 | C40 | 1.2° | 0.5° |
| C36 | C37 | C38 | H33 | 179.3° | 180.0° |
| C37 | C36 | C41 | H36 | 178.8° | 179.7° |
| C37 | C36 | P23 | H38 | 12.4° | 173.8° |
| C24 | P23 | C36 | C30 | 123.6° | 120.0° |
| C24 | P23 | C36 | H38 | 13.9° | 35.8° |
| C24 | P23 | C36 | C41 | 176.3° | 29.8° |
| P23 | C24 | C25 | C26 | 179.7° | 180.0° |
| C24 | P23 | C30 | H38 | 18.0° | 89.9° |
| C24 | P23 | C30 | C31 | 36.3° | 17.7° |
| C24 | P23 | C30 | C35 | 143.7° | 162.6° |
| C24 | P23 | C22 | H20 | 156.2° | 50.7° |
| C24 | P23 | C22 | H21 | 87.8° | 69.3° |
| P23 | C24 | C25 | H22 | 0.3° | 0.1° |
| P23 | C24 | C29 | H26 | 0.3° | 0.3° |
| C25 | C24 | P23 | C36 | 109.9° | 100.8° |
| C24 | C25 | C26 | H22 | 180.0° | 179.9° |
| C25 | C24 | P23 | C30 | 16.7° | 10.8° |
| C24 | C25 | C26 | H23 | 179.9° | 179.9° |
| C25 | C24 | C29 | H26 | 179.9° | 180.0° |
| C25 | C24 | P23 | H38 | 52.9° | 79.2° |
| C39 | C40 | C41 | C36 | 0.7° | 0.5° |
| C39 | C40 | C41 | H35 | 180.0° | 179.8° |
| C40 | C39 | C38 | H33 | 180.0° | 180.0° |
| C39 | C40 | C41 | H36 | 179.3° | 179.7° |
| C36 | P23 | C30 | H38 | 142.5° | 180.0° |
| P23 | C36 | C41 | C40 | 179.3° | 179.8° |
| C36 | P23 | C30 | C31 | 160.8° | 72.3° |
| C36 | P23 | C30 | C35 | 19.2° | 107.4° |
| C36 | P23 | C22 | H20 | 35.6° | 140.7° |
| C36 | P23 | C22 | H21 | 151.7° | 20.7° |
| P23 | C36 | C37 | H32 | 0.9° | 0.0° |
| P23 | C36 | C41 | H36 | 0.7° | 0.0° |
| C41 | C36 | P23 | C30 | 60.1° | 90.2° |
| C36 | C41 | C40 | H36 | 180.0° | 179.8° |
| C41 | C36 | C37 | H32 | 178.9° | 179.7° |
| C36 | C41 | C40 | H35 | 179.3° | 179.7° |
| C41 | C36 | P23 | H38 | 169.8° | 6.0° |
| C25 | C26 | C27 | H24 | 180.0° | 180.0° |
| O01 | C02 | N16 | C17 | 179.4° | 0.1° |
| O01 | C02 | C03 | H1 | 99.1° | 180.0° |
| O01 | C02 | N16 | H37 | 0.6° | 180.0° |
| C02 | N16 | C17 | H37 | 180.0° | 179.9° |
| N16 | C02 | C03 | H1 | 79.5° | 0.2° |
| C02 | N16 | C17 | H10 | 157.5° | 59.9° |
| C02 | N16 | C17 | H11 | 37.4° | 60.1° |
| P23 | C30 | C31 | C35 | 180.0° | 179.7° |
| P23 | C30 | C31 | C32 | 179.8° | 179.7° |
| P23 | C30 | C35 | C34 | 180.0° | 179.6° |
| C30 | P23 | C22 | H20 | 85.2° | 129.3° |
| C30 | P23 | C22 | H21 | 30.8° | 110.8° |
| P23 | C30 | C31 | H27 | 0.1° | 0.4° |
| P23 | C30 | C35 | H31 | 0.0° | 0.3° |
| C41 | C40 | C39 | H34 | 180.0° | 179.8° |
| N16 | C17 | H10 | H11 | 120.2° | 120.0° |
| N16 | C17 | C18 | H12 | 12.1° | 60.0° |
| N16 | C17 | C18 | H13 | 105.6° | 60.0° |
| C30 | C31 | C32 | H27 | 180.0° | 179.9° |
| C31 | C30 | C35 | C34 | 0.0° | 0.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C30 | C31 | C32 | H28 | 179.8° | 179.9° |
| C31 | C30 | C35 | H31 | 180.0° | 179.9° |
| C31 | C30 | P23 | H38 | 18.3° | 107.7° |
| C35 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C35 | C34 | H31 | 180.0° | 179.9° |
| C30 | C35 | C34 | C33 | 0.1° | 0.1° |
| C35 | C30 | C31 | H27 | 179.9° | 180.0° |
| C30 | C35 | C34 | H30 | 179.9° | 180.0° |
| C35 | C30 | P23 | H38 | 161.7° | 72.7° |
| C31 | C32 | C33 | H28 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.2° | 0.0° |
| C31 | C32 | C33 | H29 | 179.9° | 180.0° |
| C35 | C34 | C33 | C32 | 0.0° | 0.1° |
| C35 | C34 | C33 | H30 | 180.0° | 179.9° |
| C35 | C34 | C33 | H29 | 180.0° | 179.9° |
| C32 | C33 | C34 | H29 | 180.0° | 180.0° |
| C33 | C32 | C31 | H27 | 179.8° | 180.0° |
| C32 | C33 | C34 | H30 | 180.0° | 180.0° |
| C34 | C33 | C32 | H28 | 179.8° | 179.9° |
| C33 | C34 | C35 | H31 | 179.9° | 180.0° |
| H1 | C03 | C04 | H2 | 177.1° | 180.0° |
| H2 | C04 | C05 | H3 | 71.5° | 180.0° |
| H3 | C05 | C06 | H4 | 178.1° | 180.0° |
| H8 | C14 | C15 | H9 | 0.3° | 0.2° |
| H10 | C17 | C18 | H12 | 132.1° | 60.1° |
| H10 | C17 | C18 | H13 | 14.3° | 180.0° |
| H10 | C17 | N16 | H37 | 22.5° | 120.1° |
| H11 | C17 | C18 | H12 | 107.8° | 179.9° |
| H11 | C17 | C18 | H13 | 134.5° | 60.0° |
| H11 | C17 | N16 | H37 | 142.7° | 120.0° |
| H12 | C18 | C19 | H14 | 139.9° | 180.0° |
| H12 | C18 | C19 | H15 | 22.3° | 60.0° |
| H13 | C18 | C19 | H14 | 102.4° | 60.0° |
| H13 | C18 | C19 | H15 | 140.0° | NaN° |
| H14 | C19 | C20 | H16 | 45.5° | 180.0° |
| H14 | C19 | C20 | H17 | 163.0° | 60.0° |
| H15 | C19 | C20 | H16 | 72.1° | 60.0° |
| H15 | C19 | C20 | H17 | 45.4° | 180.0° |
| H16 | C20 | C21 | H18 | 135.5° | 180.0° |
| H16 | C20 | C21 | H19 | 19.2° | 60.1° |
| H17 | C20 | C21 | H18 | 17.9° | 60.0° |
| H17 | C20 | C21 | H19 | 98.4° | 179.9° |
| H18 | C21 | C22 | H20 | 137.3° | 180.0° |
| H18 | C21 | C22 | H21 | 106.7° | 60.0° |
| H19 | C21 | C22 | H20 | 21.0° | 60.0° |
| H19 | C21 | C22 | H21 | 137.0° | 179.9° |
| H20 | C22 | P23 | H38 | 171.9° | 39.3° |
| H21 | C22 | P23 | H38 | 55.9° | 159.2° |
| H22 | C25 | C26 | H23 | 0.1° | 0.1° |
| H23 | C26 | C27 | H24 | 0.0° | 0.1° |
| H24 | C27 | C28 | H25 | 0.0° | 0.3° |
| H25 | C28 | C29 | H26 | 0.1° | 0.6° |
| H27 | C31 | C32 | H28 | 0.2° | 0.0° |
| H28 | C32 | C33 | H29 | 0.1° | 0.0° |
| H29 | C33 | C34 | H30 | 0.0° | 0.0° |
| H30 | C34 | C35 | H31 | 0.1° | 0.1° |
| H32 | C37 | C38 | H33 | 0.6° | 0.1° |
| H33 | C38 | C39 | H34 | 0.0° | 0.0° |
| H34 | C39 | C40 | H35 | 0.0° | 0.0° |
| H35 | C40 | C41 | H36 | 0.7° | 0.1° |
