QEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C02 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | O05 | sing | 1.45Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C38 | C37 | doub | 1.37Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.41Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.39Å | |
| C37 | C36 | sing | 1.40Å | 1.41Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.36Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | O07 | doub | 1.22Å | 1.23Å | |
| C06 | N08 | sing | 1.35Å | 1.41Å | |
| C36 | C32 | sing | 1.47Å | 1.46Å | Aromatic |
| C36 | C35 | doub | 1.41Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.48Å | |
| C31 | C09 | sing | 1.53Å | 1.62Å | |
| C40 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.34Å | 1.38Å | Aromatic |
| N27 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C35 | N34 | sing | 1.38Å | 1.38Å | Aromatic |
| N08 | C09 | sing | 1.46Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.67Å | |
| C30 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | N34 | sing | 1.37Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.48Å | |
| C10 | S11 | sing | 1.81Å | 1.89Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | N22 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| S11 | C12 | sing | 1.81Å | 1.95Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| N22 | C20 | sing | 1.35Å | 1.41Å | |
| C12 | C20 | sing | 1.51Å | 1.64Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | 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 | |
| N08 | H36 | sing | 0.97Å | 1.00Å | |
| N22 | H37 | sing | 0.97Å | 1.00Å | |
| N34 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C02 | C03 | 105.9° | 109.5° |
| C04 | C02 | O05 | 107.6° | 109.5° |
| C04 | C02 | C01 | 107.4° | 109.5° |
| C02 | C04 | H12 | 109.5° | 109.5° |
| C02 | C04 | H13 | 109.5° | 109.5° |
| C02 | C04 | H14 | 109.5° | 109.5° |
| C03 | C02 | O05 | 115.1° | 109.4° |
| C03 | C02 | C01 | 110.3° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| O05 | C02 | C01 | 110.2° | 109.5° |
| C02 | O05 | C06 | 120.1° | 117.0° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C37 | C38 | C39 | 122.2° | 120.5° |
| C38 | C37 | C36 | 117.9° | 119.8° |
| C38 | C37 | H32 | 121.0° | 120.1° |
| C37 | C38 | H33 | 118.9° | 119.7° |
| C38 | C39 | C40 | 121.8° | 120.7° |
| C39 | C38 | H33 | 118.9° | 119.8° |
| C38 | C39 | H34 | 119.1° | 119.7° |
| O05 | C06 | O07 | 118.6° | 120.0° |
| O05 | C06 | N08 | 113.7° | 120.0° |
| C37 | C36 | C32 | 136.1° | 134.0° |
| C37 | C36 | C35 | 117.5° | 119.9° |
| C36 | C37 | H32 | 121.0° | 120.1° |
| C39 | C40 | C35 | 116.0° | 119.7° |
| C40 | C39 | H34 | 119.1° | 119.6° |
| C39 | C40 | H35 | 122.0° | 120.2° |
| C29 | C28 | N27 | 123.4° | 120.8° |
| C28 | C29 | C30 | 118.2° | 119.2° |
| C29 | C28 | H26 | 118.3° | 119.6° |
| C28 | C29 | H27 | 120.9° | 120.4° |
| C28 | N27 | C26 | 117.8° | 121.7° |
| N27 | C28 | H26 | 118.3° | 119.7° |
| C29 | C30 | C25 | 119.4° | 118.4° |
| C30 | C29 | H27 | 120.9° | 120.4° |
| C29 | C30 | H28 | 120.3° | 120.8° |
| O07 | C06 | N08 | 124.0° | 120.0° |
| C06 | N08 | C09 | 120.2° | 120.0° |
| C06 | N08 | H36 | 119.9° | 120.0° |
| C32 | C36 | C35 | 106.4° | 106.0° |
| C36 | C32 | C31 | 128.5° | 126.5° |
| C36 | C32 | C33 | 106.5° | 107.0° |
| C36 | C35 | C40 | 124.6° | 119.4° |
| C36 | C35 | N34 | 108.5° | 107.2° |
| C32 | C31 | C09 | 124.4° | 109.4° |
| C31 | C32 | C33 | 124.9° | 126.5° |
| C32 | C31 | H29 | 105.6° | 109.5° |
| C32 | C31 | H30 | 105.6° | 109.5° |
| C31 | C09 | N08 | 113.3° | 109.5° |
| C31 | C09 | C10 | 116.9° | 109.5° |
| C31 | C09 | H15 | 102.9° | 109.5° |
| C09 | C31 | H29 | 105.6° | 109.4° |
| C09 | C31 | H30 | 105.6° | 109.5° |
| C40 | C35 | N34 | 126.9° | 133.5° |
| C35 | C40 | H35 | 122.0° | 120.1° |
| C32 | C33 | N34 | 110.0° | 110.0° |
| C32 | C33 | H31 | 125.0° | 125.1° |
| N27 | C26 | C25 | 122.7° | 120.8° |
| N27 | C26 | H25 | 118.7° | 119.6° |
| C35 | N34 | C33 | 108.6° | 109.8° |
| C35 | N34 | H38 | 125.7° | 125.1° |
| N08 | C09 | C10 | 115.0° | 109.5° |
| N08 | C09 | H15 | 103.9° | 109.4° |
| C09 | N08 | H36 | 119.9° | 120.0° |
| C09 | C10 | S11 | 121.3° | 109.5° |
| C09 | C10 | H1 | 106.4° | 109.4° |
| C09 | C10 | H2 | 106.4° | 109.5° |
| C10 | C09 | H15 | 102.5° | 109.4° |
| C30 | C25 | C26 | 118.5° | 119.1° |
| C30 | C25 | C24 | 119.6° | 120.4° |
| C25 | C30 | H28 | 120.3° | 120.8° |
| C26 | C25 | C24 | 121.8° | 120.4° |
| C25 | C26 | H25 | 118.6° | 119.6° |
| N34 | C33 | H31 | 125.0° | 125.0° |
| C33 | N34 | H38 | 125.7° | 125.1° |
| C25 | C24 | C23 | 115.4° | 109.5° |
| C25 | C24 | H23 | 108.0° | 109.5° |
| C25 | C24 | H24 | 108.0° | 109.4° |
| C10 | S11 | C12 | 112.7° | 103.0° |
| S11 | C10 | H1 | 106.4° | 109.5° |
| S11 | C10 | H2 | 106.5° | 109.5° |
| C24 | C23 | N22 | 113.8° | 109.4° |
| C24 | C23 | H21 | 108.4° | 109.5° |
| C24 | C23 | H22 | 108.4° | 109.5° |
| C23 | C24 | H23 | 108.0° | 109.5° |
| C23 | C24 | H24 | 108.0° | 109.5° |
| C23 | N22 | C20 | 125.5° | 120.0° |
| N22 | C23 | H21 | 108.4° | 109.5° |
| N22 | C23 | H22 | 108.4° | 109.4° |
| C23 | N22 | H37 | 117.3° | 120.0° |
| C18 | C19 | C14 | 120.5° | 120.0° |
| C19 | C18 | C17 | 120.5° | 120.0° |
| C19 | C18 | H19 | 119.8° | 120.0° |
| C18 | C19 | H20 | 119.7° | 119.9° |
| C19 | C14 | C13 | 120.3° | 120.0° |
| C19 | C14 | C15 | 119.0° | 120.0° |
| C14 | C19 | H20 | 119.8° | 120.0° |
| S11 | C12 | C13 | 112.0° | 109.5° |
| S11 | C12 | C20 | 112.3° | 109.5° |
| S11 | C12 | H3 | 103.4° | 109.5° |
| C14 | C13 | C12 | 116.9° | 109.5° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C14 | C13 | H4 | 107.6° | 109.4° |
| C14 | C13 | H5 | 107.6° | 109.4° |
| C13 | C12 | C20 | 115.0° | 109.5° |
| C13 | C12 | H3 | 107.0° | 109.5° |
| C12 | C13 | H4 | 107.6° | 109.5° |
| C12 | C13 | H5 | 107.6° | 109.5° |
| C18 | C17 | C16 | 119.3° | 120.0° |
| C18 | C17 | H18 | 120.4° | 120.0° |
| C17 | C18 | H19 | 119.8° | 120.1° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H16 | 120.0° | 120.0° |
| N22 | C20 | C12 | 123.1° | 120.0° |
| N22 | C20 | O21 | 114.2° | 120.0° |
| C20 | N22 | H37 | 117.2° | 120.0° |
| C12 | C20 | O21 | 122.7° | 120.0° |
| C20 | C12 | H3 | 106.1° | 109.4° |
| C17 | C16 | C15 | 120.8° | 120.0° |
| C17 | C16 | H17 | 119.6° | 120.0° |
| C16 | C17 | H18 | 120.4° | 120.0° |
| C16 | C15 | H16 | 120.0° | 120.0° |
| C15 | C16 | H17 | 119.6° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H12 | C04 | H14 | 109.4° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C02 | C03 | O05 | 118.7° | 120.0° |
| C04 | C02 | C03 | C01 | 115.9° | 120.0° |
| C04 | C02 | O05 | C01 | 116.8° | 120.1° |
| C04 | C02 | O05 | C06 | 174.5° | 180.0° |
| C04 | C02 | C01 | H6 | 180.0° | 60.0° |
| C04 | C02 | C01 | H7 | 60.0° | 60.0° |
| C04 | C02 | C01 | H8 | 60.0° | 180.0° |
| C04 | C02 | C03 | H9 | 180.0° | 180.0° |
| C04 | C02 | C03 | H10 | 60.0° | 60.0° |
| C04 | C02 | C03 | H11 | 60.0° | 60.0° |
| C02 | C04 | H12 | H13 | 120.0° | 120.0° |
| C02 | C04 | H12 | H14 | 120.0° | 120.0° |
| C02 | C04 | H13 | H14 | 120.0° | 120.0° |
| C03 | C02 | O05 | C01 | 125.4° | 120.0° |
| C03 | C02 | O05 | C06 | 67.8° | 60.1° |
| C03 | C02 | C01 | H6 | 65.1° | 180.0° |
| C03 | C02 | C01 | H7 | 55.0° | 60.0° |
| C03 | C02 | C01 | H8 | 175.0° | 60.0° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C03 | C02 | C04 | H12 | 180.0° | 60.0° |
| C03 | C02 | C04 | H13 | 60.0° | 60.0° |
| C03 | C02 | C04 | H14 | 60.0° | 180.0° |
| C02 | O05 | C06 | O07 | 105.8° | 0.1° |
| C02 | O05 | C06 | N08 | 95.1° | 180.0° |
| O05 | C02 | C01 | H6 | 63.1° | 60.0° |
| O05 | C02 | C01 | H7 | 176.9° | 180.0° |
| O05 | C02 | C01 | H8 | 56.9° | 60.0° |
| O05 | C02 | C03 | H9 | 61.3° | 60.0° |
| O05 | C02 | C03 | H10 | 58.8° | 180.0° |
| O05 | C02 | C03 | H11 | 178.7° | 60.0° |
| O05 | C02 | C04 | H12 | 56.4° | 60.0° |
| O05 | C02 | C04 | H13 | 176.4° | 180.0° |
| O05 | C02 | C04 | H14 | 63.6° | 60.1° |
| C01 | C02 | O05 | C06 | 57.7° | 59.9° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 64.1° | 60.0° |
| C01 | C02 | C03 | H10 | 175.8° | 60.0° |
| C01 | C02 | C03 | H11 | 55.9° | 180.0° |
| C01 | C02 | C04 | H12 | 62.2° | 180.0° |
| C01 | C02 | C04 | H13 | 57.8° | 60.0° |
| C01 | C02 | C04 | H14 | 177.8° | 60.0° |
| C37 | C38 | C39 | H33 | 180.0° | 180.0° |
| C38 | C37 | C36 | H32 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.5° | 0.0° |
| C38 | C37 | C36 | C32 | 179.6° | 179.9° |
| C38 | C37 | C36 | C35 | 0.1° | 0.0° |
| C37 | C38 | C39 | H34 | 179.5° | 180.0° |
| C39 | C38 | C37 | C36 | 0.1° | 0.0° |
| C38 | C39 | C40 | H34 | 180.0° | 180.0° |
| C38 | C39 | C40 | C35 | 0.5° | 0.0° |
| C39 | C38 | C37 | H32 | 179.9° | 180.0° |
| C38 | C39 | C40 | H35 | 179.5° | 180.0° |
| O05 | C06 | O07 | N08 | 156.8° | 179.9° |
| O05 | C06 | N08 | C09 | 54.7° | 180.0° |
| O05 | C06 | N08 | H36 | 125.3° | 0.1° |
| C37 | C36 | C32 | C35 | 179.5° | 179.9° |
| C37 | C36 | C32 | C31 | 1.8° | 0.1° |
| C37 | C36 | C35 | C40 | 0.0° | 0.0° |
| C37 | C36 | C32 | C33 | 179.0° | 179.8° |
| C37 | C36 | C35 | N34 | 179.7° | 179.8° |
| C36 | C37 | C38 | H33 | 179.8° | 180.0° |
| C39 | C40 | C35 | C36 | 0.3° | 0.0° |
| C39 | C40 | C35 | H35 | 180.0° | 180.0° |
| C39 | C40 | C35 | N34 | 179.3° | 179.8° |
| C40 | C39 | C38 | H33 | 179.5° | 180.0° |
| C29 | C28 | N27 | H26 | 180.0° | 179.7° |
| C28 | C29 | C30 | H27 | 180.0° | 179.7° |
| C29 | C28 | N27 | C26 | 0.9° | 0.3° |
| C28 | C29 | C30 | C25 | 0.4° | 0.1° |
| C28 | C29 | C30 | H28 | 179.6° | 180.0° |
| N27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C28 | N27 | C26 | C25 | 1.2° | 0.0° |
| C28 | N27 | C26 | H25 | 178.8° | 180.0° |
| N27 | C28 | C29 | H27 | 179.9° | 180.0° |
| C29 | C30 | C25 | H28 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.1° | 0.2° |
| C29 | C30 | C25 | C24 | 178.5° | 180.0° |
| C30 | C29 | C28 | H26 | 179.9° | 180.0° |
| O07 | C06 | N08 | C09 | 103.1° | 0.0° |
| O07 | C06 | N08 | H36 | 76.9° | 180.0° |
| C06 | N08 | C09 | C31 | 92.6° | 60.0° |
| C06 | N08 | C09 | H36 | 180.0° | 179.9° |
| C06 | N08 | C09 | C10 | 129.4° | 60.0° |
| C06 | N08 | C09 | H15 | 18.3° | 179.9° |
| C36 | C32 | C31 | C33 | 176.7° | 179.8° |
| C36 | C32 | C31 | C09 | 153.7° | 84.7° |
| C32 | C36 | C35 | C40 | 179.6° | 179.9° |
| C32 | C36 | C35 | N34 | 0.7° | 0.1° |
| C36 | C32 | C33 | N34 | 1.8° | 0.1° |
| C36 | C32 | C31 | H29 | 84.2° | 35.2° |
| C36 | C32 | C31 | H30 | 31.7° | 155.2° |
| C36 | C32 | C33 | H31 | 178.2° | 179.7° |
| C32 | C36 | C37 | H32 | 0.4° | 0.1° |
| C35 | C36 | C32 | C31 | 178.7° | 180.0° |
| C36 | C35 | C40 | N34 | 179.6° | 179.8° |
| C35 | C36 | C32 | C33 | 1.5° | 0.2° |
| C36 | C35 | N34 | C33 | 0.4° | 0.0° |
| C35 | C36 | C37 | H32 | 179.9° | 180.0° |
| C36 | C35 | C40 | H35 | 179.8° | 180.0° |
| C36 | C35 | N34 | H38 | 179.7° | 179.9° |
| C32 | C31 | C09 | H29 | 122.0° | 120.0° |
| C32 | C31 | C09 | H30 | 122.0° | 120.0° |
| C32 | C31 | C09 | N08 | 63.8° | 65.0° |
| C32 | C31 | C09 | C10 | 73.4° | 175.0° |
| C31 | C32 | C33 | N34 | 179.1° | 180.0° |
| C32 | C31 | C09 | H15 | 175.3° | 55.0° |
| C32 | C31 | H29 | H30 | 113.3° | 120.0° |
| C31 | C32 | C33 | H31 | 0.9° | 0.1° |
| C09 | C31 | C32 | C33 | 29.6° | 95.0° |
| C31 | C09 | N08 | C10 | 138.0° | 120.0° |
| C31 | C09 | N08 | H15 | 110.9° | 120.1° |
| C31 | C09 | C10 | H15 | 111.6° | 120.1° |
| C31 | C09 | C10 | S11 | 52.9° | 180.0° |
| C31 | C09 | C10 | H1 | 68.8° | 60.0° |
| C31 | C09 | C10 | H2 | 174.5° | 60.0° |
| C09 | C31 | H29 | H30 | 113.3° | 120.0° |
| C31 | C09 | N08 | H36 | 87.4° | 120.0° |
| C40 | C35 | N34 | C33 | 179.3° | 179.8° |
| C35 | C40 | C39 | H34 | 179.5° | 180.0° |
| C40 | C35 | N34 | H38 | 0.7° | 0.1° |
| C32 | C33 | N34 | C35 | 1.4° | 0.1° |
| C32 | C33 | N34 | H31 | 180.0° | 179.9° |
| C33 | C32 | C31 | H29 | 92.5° | 145.0° |
| C33 | C32 | C31 | H30 | 151.6° | 25.0° |
| C32 | C33 | N34 | H38 | 178.6° | 180.0° |
| N27 | C26 | C25 | C30 | 0.7° | 0.3° |
| N27 | C26 | C25 | H25 | 180.0° | 180.0° |
| N27 | C26 | C25 | C24 | 179.3° | 180.0° |
| C26 | N27 | C28 | H26 | 179.1° | 180.0° |
| C35 | N34 | C33 | H38 | 180.0° | 179.9° |
| C35 | N34 | C33 | H31 | 178.6° | 179.8° |
| N34 | C35 | C40 | H35 | 0.7° | 0.2° |
| N08 | C09 | C10 | H15 | 111.9° | 119.9° |
| N08 | C09 | C10 | S11 | 83.6° | 60.0° |
| N08 | C09 | C10 | H1 | 154.8° | 60.0° |
| N08 | C09 | C10 | H2 | 38.1° | 180.0° |
| N08 | C09 | C31 | H29 | 174.2° | 175.0° |
| N08 | C09 | C31 | H30 | 58.2° | 55.0° |
| C09 | C10 | S11 | H1 | 121.6° | 119.9° |
| C09 | C10 | S11 | H2 | 121.6° | 120.0° |
| C09 | C10 | S11 | C12 | 86.0° | 174.9° |
| C09 | C10 | H1 | H2 | 114.6° | 120.0° |
| C10 | C09 | C31 | H29 | 48.6° | 55.0° |
| C10 | C09 | C31 | H30 | 164.6° | 65.0° |
| C10 | C09 | N08 | H36 | 50.6° | 120.0° |
| C30 | C25 | C26 | C24 | 178.6° | 179.8° |
| C30 | C25 | C24 | C23 | 73.9° | 90.3° |
| C30 | C25 | C24 | H23 | 47.0° | 149.7° |
| C30 | C25 | C24 | H24 | 165.3° | 29.8° |
| C30 | C25 | C26 | H25 | 179.3° | 179.8° |
| C25 | C30 | C29 | H27 | 179.6° | 179.7° |
| C26 | C25 | C24 | C23 | 104.7° | 90.0° |
| C26 | C25 | C24 | H23 | 134.4° | 30.1° |
| C26 | C25 | C24 | H24 | 16.1° | 150.0° |
| C26 | C25 | C30 | H28 | 179.9° | 179.7° |
| C25 | C24 | C23 | H23 | 120.9° | 120.0° |
| C25 | C24 | C23 | H24 | 120.8° | 120.0° |
| C25 | C24 | C23 | N22 | 146.2° | 180.0° |
| C25 | C24 | C23 | H21 | 25.6° | 60.0° |
| C25 | C24 | C23 | H22 | 93.1° | 60.0° |
| C25 | C24 | H23 | H24 | 117.3° | 119.9° |
| C24 | C25 | C26 | H25 | 0.7° | 0.0° |
| C24 | C25 | C30 | H28 | 1.5° | 0.0° |
| C10 | S11 | C12 | C13 | 14.6° | 68.5° |
| C10 | S11 | C12 | C20 | 145.8° | 171.5° |
| S11 | C10 | H1 | H2 | 114.7° | 120.1° |
| C10 | S11 | C12 | H3 | 100.3° | 51.5° |
| S11 | C10 | C09 | H15 | 164.5° | 60.0° |
| C24 | C23 | N22 | H21 | 120.6° | 120.0° |
| C24 | C23 | N22 | H22 | 120.7° | 120.0° |
| C24 | C23 | N22 | C20 | 128.0° | 180.0° |
| C24 | C23 | H21 | H22 | 118.1° | 120.1° |
| C23 | C24 | H23 | H24 | 117.3° | 120.1° |
| C24 | C23 | N22 | H37 | 52.0° | 0.1° |
| C23 | N22 | C20 | H37 | 180.0° | 179.9° |
| C23 | N22 | C20 | C12 | 1.0° | 180.0° |
| C23 | N22 | C20 | O21 | 179.9° | 0.1° |
| N22 | C23 | H21 | H22 | 118.0° | 119.9° |
| N22 | C23 | C24 | H23 | 92.9° | 60.0° |
| N22 | C23 | C24 | H24 | 25.4° | 60.0° |
| C18 | C19 | C14 | H20 | 180.0° | 179.4° |
| C18 | C19 | C14 | C13 | 179.6° | 179.7° |
| C19 | C18 | C17 | H19 | 180.0° | 179.7° |
| C18 | C19 | C14 | C15 | 0.4° | 0.6° |
| C19 | C18 | C17 | C16 | 0.0° | 0.3° |
| C19 | C18 | C17 | H18 | 180.0° | 179.7° |
| C19 | C14 | C13 | C15 | 179.3° | 179.8° |
| C19 | C14 | C13 | C12 | 116.0° | 96.7° |
| C14 | C19 | C18 | C17 | 0.2° | 0.6° |
| C19 | C14 | C15 | C16 | 0.3° | 0.3° |
| C19 | C14 | C13 | H4 | 122.9° | 143.3° |
| C19 | C14 | C13 | H5 | 5.1° | 23.3° |
| C19 | C14 | C15 | H16 | 179.7° | 179.7° |
| C14 | C19 | C18 | H19 | 179.8° | 179.7° |
| S11 | C12 | C13 | C14 | 102.4° | 174.3° |
| S11 | C12 | C13 | C20 | 129.8° | 120.1° |
| S11 | C12 | C13 | H3 | 112.7° | 120.0° |
| S11 | C12 | C20 | N22 | 89.0° | 160.0° |
| S11 | C12 | C20 | H3 | 112.3° | 120.0° |
| S11 | C12 | C20 | O21 | 90.1° | 20.0° |
| C12 | S11 | C10 | H1 | 152.3° | 55.0° |
| C12 | S11 | C10 | H2 | 35.6° | 65.1° |
| S11 | C12 | C13 | H4 | 136.6° | 54.3° |
| S11 | C12 | C13 | H5 | 18.7° | 65.8° |
| C14 | C13 | C12 | H4 | 121.1° | 120.0° |
| C14 | C13 | C12 | H5 | 121.1° | 120.0° |
| C14 | C13 | C12 | C20 | 127.8° | 65.7° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | C13 | C12 | H3 | 10.3° | 54.2° |
| C14 | C13 | H4 | H5 | 116.6° | 119.9° |
| C13 | C14 | C15 | H16 | 0.4° | 0.0° |
| C13 | C14 | C19 | H20 | 0.4° | 0.3° |
| C12 | C13 | C14 | C15 | 63.3° | 83.6° |
| C13 | C12 | C20 | N22 | 40.7° | 79.9° |
| C13 | C12 | C20 | H3 | 118.0° | 120.0° |
| C13 | C12 | C20 | O21 | 140.2° | 100.0° |
| C12 | C13 | H4 | H5 | 116.6° | 120.1° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | H20 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H4 | 57.8° | 36.5° |
| C15 | C14 | C13 | H5 | 175.7° | 156.4° |
| C14 | C15 | C16 | H17 | 179.8° | 180.0° |
| C15 | C14 | C19 | H20 | 179.6° | 179.9° |
| N22 | C20 | C12 | O21 | 179.1° | 179.9° |
| N22 | C20 | C12 | H3 | 158.7° | 40.0° |
| C20 | N22 | C23 | H21 | 111.4° | 59.9° |
| C20 | N22 | C23 | H22 | 7.3° | 60.1° |
| C20 | C12 | C13 | H4 | 6.8° | 174.3° |
| C20 | C12 | C13 | H5 | 111.1° | 54.3° |
| C12 | C20 | N22 | H37 | 179.0° | 0.1° |
| O21 | C20 | C12 | H3 | 22.2° | 140.0° |
| O21 | C20 | N22 | H37 | 0.2° | 180.0° |
| C17 | C16 | C15 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | H16 | 179.9° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| H1 | C10 | C09 | H15 | 42.8° | 179.9° |
| H2 | C10 | C09 | H15 | 73.9° | 60.1° |
| H3 | C12 | C13 | H4 | 110.7° | 65.8° |
| H3 | C12 | C13 | H5 | 131.4° | 174.2° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | H10 | H11 | 120.0° | 120.0° |
| H12 | C04 | H13 | H14 | 120.0° | 120.0° |
| H15 | C09 | C31 | H29 | 62.7° | 65.0° |
| H15 | C09 | C31 | H30 | 53.2° | 175.0° |
| H15 | C09 | N08 | H36 | 161.7° | 0.0° |
| H16 | C15 | C16 | H17 | 0.2° | 0.0° |
| H17 | C16 | C17 | H18 | 0.0° | 0.0° |
| H18 | C17 | C18 | H19 | 0.0° | 0.0° |
| H19 | C18 | C19 | H20 | 0.2° | 0.3° |
| H21 | C23 | C24 | H23 | 146.5° | 60.0° |
| H21 | C23 | C24 | H24 | 95.3° | 180.0° |
| H21 | C23 | N22 | H37 | 68.6° | 120.0° |
| H22 | C23 | C24 | H23 | 27.8° | 180.0° |
| H22 | C23 | C24 | H24 | 146.0° | 59.9° |
| H22 | C23 | N22 | H37 | 172.7° | 120.0° |
| H26 | C28 | C29 | H27 | 0.1° | 0.3° |
| H27 | C29 | C30 | H28 | 0.4° | 0.3° |
| H31 | C33 | N34 | H38 | 1.4° | 0.1° |
| H32 | C37 | C38 | H33 | 0.2° | 0.1° |
| H33 | C38 | C39 | H34 | 0.5° | 0.1° |
| H34 | C39 | C40 | H35 | 0.5° | 0.0° |
