EKS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C20 | sing | 1.53Å | 1.55Å | |
| O23 | C21 | doub | 1.21Å | 1.26Å | |
| C39 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | O19 | sing | 1.43Å | 1.44Å | |
| C11 | C08 | sing | 1.51Å | 1.53Å | |
| C21 | O22 | sing | 1.34Å | 1.26Å | |
| O19 | C17 | sing | 1.36Å | 1.44Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C12 | N07 | sing | 1.46Å | 1.48Å | |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.33Å | Aromatic |
| C08 | C09 | doub | 1.34Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| N07 | C04 | sing | 1.37Å | 1.35Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C05 | sing | 1.47Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.41Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.40Å | Aromatic |
| C06 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.40Å | Aromatic |
| C01 | C24 | sing | 1.48Å | 1.57Å | |
| C24 | O25 | doub | 1.22Å | 1.19Å | |
| C24 | N26 | sing | 1.35Å | 1.49Å | |
| N26 | C27 | sing | 1.47Å | 1.46Å | |
| C27 | C34 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C35 | sing | 1.51Å | 1.55Å | |
| C38 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| N26 | H39 | sing | 0.97Å | 1.00Å | |
| O22 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C20 | C39 | 107.0° | 109.4° |
| C40 | C20 | C21 | 110.7° | 109.5° |
| C40 | C20 | O19 | 111.6° | 109.4° |
| C20 | C40 | H36 | 109.5° | 109.5° |
| C20 | C40 | H37 | 109.5° | 109.5° |
| C20 | C40 | H38 | 109.4° | 109.5° |
| O23 | C21 | C20 | 120.3° | 120.0° |
| O23 | C21 | O22 | 119.6° | 120.0° |
| C39 | C20 | C21 | 107.3° | 109.5° |
| C39 | C20 | O19 | 107.0° | 109.5° |
| C20 | C39 | H33 | 109.5° | 109.5° |
| C20 | C39 | H34 | 109.5° | 109.5° |
| C20 | C39 | H35 | 109.5° | 109.5° |
| C21 | C20 | O19 | 112.9° | 109.5° |
| C20 | C21 | O22 | 120.1° | 120.0° |
| C20 | O19 | C17 | 124.0° | 117.0° |
| C11 | C08 | N07 | 125.8° | 125.0° |
| C11 | C08 | C09 | 125.3° | 125.0° |
| C08 | C11 | H8 | 109.5° | 109.4° |
| C08 | C11 | H9 | 109.5° | 109.5° |
| C08 | C11 | H10 | 109.5° | 109.6° |
| C21 | O22 | H40 | 109.5° | 117.0° |
| O19 | C17 | C18 | 124.0° | 120.1° |
| O19 | C17 | C16 | 117.8° | 120.1° |
| C17 | C18 | C13 | 121.0° | 120.0° |
| C18 | C17 | C16 | 118.2° | 119.9° |
| C17 | C18 | H15 | 119.5° | 120.0° |
| C18 | C13 | C12 | 118.6° | 120.0° |
| C18 | C13 | C14 | 120.1° | 120.0° |
| C13 | C18 | H15 | 119.5° | 120.0° |
| C13 | C12 | N07 | 113.1° | 109.5° |
| C12 | C13 | C14 | 121.4° | 120.0° |
| C13 | C12 | H11 | 108.6° | 109.5° |
| C13 | C12 | H12 | 108.6° | 109.5° |
| C12 | N07 | C08 | 125.6° | 125.0° |
| C12 | N07 | C04 | 125.2° | 125.1° |
| N07 | C12 | H11 | 108.6° | 109.5° |
| N07 | C12 | H12 | 108.6° | 109.5° |
| C17 | C16 | C15 | 121.1° | 120.0° |
| C17 | C16 | H14 | 119.5° | 120.1° |
| N07 | C08 | C09 | 108.9° | 110.0° |
| C08 | N07 | C04 | 109.2° | 109.9° |
| C08 | C09 | C10 | 126.6° | 126.6° |
| C08 | C09 | C05 | 106.3° | 106.9° |
| C13 | C14 | C15 | 119.4° | 120.2° |
| C13 | C14 | H13 | 120.3° | 119.9° |
| N07 | C04 | C05 | 109.8° | 107.2° |
| N07 | C04 | C03 | 129.5° | 133.2° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H4 | 119.9° | 120.0° |
| C15 | C16 | H14 | 119.5° | 120.0° |
| C10 | C09 | C05 | 127.1° | 126.5° |
| C09 | C10 | H1 | 109.5° | 109.4° |
| C09 | C10 | H2 | 109.4° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C14 | C15 | H4 | 119.9° | 120.0° |
| C15 | C14 | H13 | 120.3° | 119.9° |
| C09 | C05 | C04 | 105.9° | 106.0° |
| C09 | C05 | C06 | 133.4° | 134.0° |
| C05 | C04 | C03 | 120.6° | 119.7° |
| C04 | C05 | C06 | 120.7° | 120.0° |
| C04 | C03 | C02 | 118.9° | 120.2° |
| C04 | C03 | H6 | 120.5° | 119.9° |
| C05 | C06 | C01 | 119.1° | 119.4° |
| C05 | C06 | H7 | 120.4° | 120.3° |
| C03 | C02 | C01 | 120.5° | 120.7° |
| C03 | C02 | H5 | 119.8° | 119.7° |
| C02 | C03 | H6 | 120.5° | 119.9° |
| C06 | C01 | C02 | 120.1° | 120.0° |
| C06 | C01 | C24 | 119.5° | 120.0° |
| C01 | C06 | H7 | 120.4° | 120.3° |
| C02 | C01 | C24 | 120.4° | 120.0° |
| C01 | C02 | H5 | 119.8° | 119.6° |
| C01 | C24 | O25 | 120.0° | 120.0° |
| C01 | C24 | N26 | 120.3° | 120.0° |
| O25 | C24 | N26 | 119.7° | 120.0° |
| C24 | N26 | C27 | 119.7° | 120.0° |
| C24 | N26 | H39 | 120.2° | 120.0° |
| N26 | C27 | C34 | 108.5° | 109.5° |
| N26 | C27 | C28 | 113.0° | 109.5° |
| N26 | C27 | H16 | 109.4° | 109.4° |
| C27 | N26 | H39 | 120.1° | 120.0° |
| C34 | C27 | C28 | 108.7° | 109.5° |
| C34 | C27 | H16 | 108.5° | 109.5° |
| C27 | C34 | H21 | 109.5° | 109.5° |
| C27 | C34 | H22 | 109.5° | 109.5° |
| C27 | C34 | H23 | 109.5° | 109.5° |
| C27 | C28 | C29 | 121.6° | 120.0° |
| C27 | C28 | C33 | 118.3° | 120.0° |
| C28 | C27 | H16 | 108.6° | 109.5° |
| C28 | C29 | C30 | 119.5° | 120.0° |
| C29 | C28 | C33 | 120.1° | 120.0° |
| C28 | C29 | H17 | 120.2° | 120.0° |
| C29 | C30 | C31 | 120.1° | 120.0° |
| C30 | C29 | H17 | 120.2° | 120.0° |
| C29 | C30 | H18 | 119.9° | 120.0° |
| C28 | C33 | C32 | 120.2° | 120.0° |
| C28 | C33 | H20 | 119.9° | 120.0° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C30 | C31 | C35 | 120.5° | 120.0° |
| C31 | C30 | H18 | 119.9° | 120.0° |
| C33 | C32 | C31 | 119.9° | 120.0° |
| C33 | C32 | H19 | 120.0° | 120.0° |
| C32 | C33 | H20 | 119.9° | 120.0° |
| C32 | C31 | C35 | 119.4° | 120.0° |
| C31 | C32 | H19 | 120.0° | 120.0° |
| C31 | C35 | C38 | 109.3° | 109.4° |
| C31 | C35 | C36 | 109.8° | 109.5° |
| C31 | C35 | C37 | 109.5° | 109.5° |
| C38 | C35 | C36 | 109.5° | 109.5° |
| C38 | C35 | C37 | 109.3° | 109.5° |
| C35 | C38 | H30 | 109.5° | 109.5° |
| C35 | C38 | H31 | 109.5° | 109.5° |
| C35 | C38 | H32 | 109.4° | 109.5° |
| C36 | C35 | C37 | 109.4° | 109.5° |
| C35 | C36 | H24 | 109.5° | 109.5° |
| C35 | C36 | H25 | 109.5° | 109.4° |
| C35 | C36 | H26 | 109.4° | 109.5° |
| C35 | C37 | H27 | 109.5° | 109.5° |
| C35 | C37 | H28 | 109.4° | 109.5° |
| C35 | C37 | H29 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H8 | C11 | H10 | 109.5° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H23 | 109.5° | 109.4° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.5° |
| H24 | C36 | H26 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.4° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H27 | C37 | H29 | 109.5° | 109.4° |
| H28 | C37 | H29 | 109.5° | 109.4° |
| H30 | C38 | H31 | 109.5° | 109.5° |
| H30 | C38 | H32 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.5° |
| H33 | C39 | H34 | 109.5° | 109.5° |
| H33 | C39 | H35 | 109.5° | 109.4° |
| H34 | C39 | H35 | 109.5° | 109.4° |
| H36 | C40 | H37 | 109.5° | 109.5° |
| H36 | C40 | H38 | 109.5° | 109.4° |
| H37 | C40 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C20 | C21 | O23 | 32.0° | 120.0° |
| C40 | C20 | C39 | C21 | 118.8° | 120.0° |
| C40 | C20 | C39 | O19 | 119.8° | 120.0° |
| C40 | C20 | C21 | O19 | 125.9° | 120.0° |
| C40 | C20 | C21 | O22 | 148.3° | 60.0° |
| C40 | C20 | O19 | C17 | 65.5° | 178.5° |
| C40 | C20 | C39 | H33 | 180.0° | 67.5° |
| C40 | C20 | C39 | H34 | 60.0° | 52.6° |
| C40 | C20 | C39 | H35 | 60.0° | 172.6° |
| C20 | C40 | H36 | H37 | 120.0° | 120.0° |
| C20 | C40 | H36 | H38 | 120.0° | 120.0° |
| C20 | C40 | H37 | H38 | 120.0° | 120.0° |
| O23 | C21 | C20 | C39 | 84.5° | 120.0° |
| O23 | C21 | C20 | O22 | 179.7° | 180.0° |
| O23 | C21 | C20 | O19 | 157.9° | 0.0° |
| O23 | C21 | O22 | H40 | 0.0° | 0.1° |
| C39 | C20 | C21 | O19 | 117.6° | 120.1° |
| C39 | C20 | C21 | O22 | 95.2° | 60.0° |
| C39 | C20 | O19 | C17 | 177.7° | 58.6° |
| C20 | C39 | H33 | H34 | 120.0° | 120.1° |
| C20 | C39 | H33 | H35 | 120.0° | 120.0° |
| C20 | C39 | H34 | H35 | 120.0° | 120.0° |
| C39 | C20 | C40 | H36 | 180.0° | 179.8° |
| C39 | C20 | C40 | H37 | 60.0° | 60.2° |
| C39 | C20 | C40 | H38 | 60.0° | 59.8° |
| C21 | C20 | O19 | C17 | 60.0° | 61.5° |
| C21 | C20 | C39 | H33 | 61.2° | 52.5° |
| C21 | C20 | C39 | H34 | 58.8° | 172.6° |
| C21 | C20 | C39 | H35 | 178.8° | 67.5° |
| C21 | C20 | C40 | H36 | 63.4° | 59.8° |
| C21 | C20 | C40 | H37 | 176.6° | 179.8° |
| C21 | C20 | C40 | H38 | 56.6° | 60.2° |
| C20 | C21 | O22 | H40 | 179.7° | 179.9° |
| O19 | C20 | C21 | O22 | 22.4° | 179.9° |
| C20 | O19 | C17 | C18 | 10.2° | 173.4° |
| C20 | O19 | C17 | C16 | 170.3° | 5.7° |
| O19 | C20 | C39 | H33 | 60.2° | 172.6° |
| O19 | C20 | C39 | H34 | 179.8° | 67.4° |
| O19 | C20 | C39 | H35 | 59.8° | 52.6° |
| O19 | C20 | C40 | H36 | 63.2° | 60.2° |
| O19 | C20 | C40 | H37 | 56.8° | 59.8° |
| O19 | C20 | C40 | H38 | 176.8° | 179.8° |
| C11 | C08 | N07 | C12 | 0.8° | 0.1° |
| C11 | C08 | N07 | C09 | 179.8° | 179.9° |
| C11 | C08 | N07 | C04 | 179.9° | 179.6° |
| C11 | C08 | C09 | C10 | 0.0° | 0.2° |
| C11 | C08 | C09 | C05 | 180.0° | 179.8° |
| C08 | C11 | H8 | H9 | 120.0° | 120.0° |
| C08 | C11 | H8 | H10 | 120.0° | 120.1° |
| C08 | C11 | H9 | H10 | 120.0° | 120.1° |
| O19 | C17 | C18 | C16 | 179.5° | 179.1° |
| O19 | C17 | C18 | C13 | 179.8° | 179.7° |
| O19 | C17 | C16 | C15 | 179.8° | 179.9° |
| O19 | C17 | C16 | H14 | 0.2° | 0.7° |
| O19 | C17 | C18 | H15 | 0.2° | 0.4° |
| C17 | C18 | C13 | H15 | 180.0° | 180.0° |
| C17 | C18 | C13 | C12 | 179.9° | 179.7° |
| C17 | C18 | C13 | C14 | 0.3° | 0.0° |
| C18 | C17 | C16 | C15 | 0.3° | 0.8° |
| C18 | C17 | C16 | H14 | 179.7° | 179.9° |
| C18 | C13 | C12 | C14 | 179.8° | 179.7° |
| C18 | C13 | C12 | N07 | 176.9° | 90.3° |
| C13 | C18 | C17 | C16 | 0.3° | 0.5° |
| C18 | C13 | C14 | C15 | 0.2° | 0.3° |
| C18 | C13 | C12 | H11 | 62.6° | 29.7° |
| C18 | C13 | C12 | H12 | 56.3° | 149.7° |
| C18 | C13 | C14 | H13 | 179.8° | 179.7° |
| C13 | C12 | N07 | H11 | 120.6° | 120.0° |
| C13 | C12 | N07 | H12 | 120.5° | 120.0° |
| C13 | C12 | N07 | C08 | 82.8° | 90.0° |
| C13 | C12 | N07 | C04 | 98.3° | 90.5° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C13 | C12 | H11 | H12 | 118.3° | 120.0° |
| C12 | C13 | C14 | H13 | 0.0° | 0.0° |
| C12 | C13 | C18 | H15 | 0.1° | 0.3° |
| C12 | N07 | C08 | C04 | 179.1° | 179.5° |
| C12 | N07 | C08 | C09 | 179.3° | 180.0° |
| N07 | C12 | C13 | C14 | 3.0° | 90.0° |
| C12 | N07 | C04 | C05 | 179.3° | 180.0° |
| C12 | N07 | C04 | C03 | 0.6° | 0.3° |
| N07 | C12 | H11 | H12 | 118.4° | 120.0° |
| C17 | C16 | C15 | H14 | 180.0° | 179.3° |
| C17 | C16 | C15 | C14 | 0.2° | 0.5° |
| C17 | C16 | C15 | H4 | 179.8° | 179.5° |
| C16 | C17 | C18 | H15 | 179.7° | 179.5° |
| N07 | C08 | C09 | C10 | 179.8° | 179.7° |
| N07 | C08 | C09 | C05 | 0.2° | 0.2° |
| C08 | N07 | C04 | C05 | 0.2° | 0.5° |
| C08 | N07 | C04 | C03 | 179.8° | 179.8° |
| N07 | C08 | C11 | H8 | 90.1° | 90.1° |
| N07 | C08 | C11 | H9 | 149.9° | 150.0° |
| N07 | C08 | C11 | H10 | 29.9° | 29.9° |
| C08 | N07 | C12 | H11 | 37.8° | 30.0° |
| C08 | N07 | C12 | H12 | 156.7° | 150.0° |
| C09 | C08 | N07 | C04 | 0.2° | 0.5° |
| C08 | C09 | C10 | C05 | 179.9° | 179.9° |
| C08 | C09 | C05 | C04 | 0.0° | 0.1° |
| C08 | C09 | C05 | C06 | 179.9° | 179.6° |
| C08 | C09 | C10 | H1 | 90.0° | 90.0° |
| C08 | C09 | C10 | H2 | 149.9° | 150.0° |
| C08 | C09 | C10 | H3 | 30.0° | 30.0° |
| C09 | C08 | C11 | H8 | 90.1° | 90.0° |
| C09 | C08 | C11 | H9 | 29.9° | 29.9° |
| C09 | C08 | C11 | H10 | 149.9° | 150.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.8° | 180.0° |
| C14 | C13 | C12 | H11 | 117.6° | 150.0° |
| C14 | C13 | C12 | H12 | 123.5° | 30.0° |
| C14 | C13 | C18 | H15 | 179.7° | 180.0° |
| N07 | C04 | C05 | C09 | 0.1° | 0.3° |
| N07 | C04 | C05 | C03 | 180.0° | 179.7° |
| N07 | C04 | C05 | C06 | 179.8° | 180.0° |
| N07 | C04 | C03 | C02 | 179.9° | 179.7° |
| N07 | C04 | C03 | H6 | 0.1° | 0.4° |
| C04 | N07 | C12 | H11 | 141.2° | 149.5° |
| C04 | N07 | C12 | H12 | 22.3° | 29.4° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | H13 | 179.9° | 180.0° |
| C10 | C09 | C05 | C04 | 179.9° | 180.0° |
| C10 | C09 | C05 | C06 | 0.0° | 0.4° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C14 | C15 | C16 | H14 | 179.8° | 179.9° |
| C09 | C05 | C04 | C06 | 179.9° | 179.6° |
| C09 | C05 | C04 | C03 | 179.9° | 179.9° |
| C09 | C05 | C06 | C01 | 179.7° | 179.9° |
| C05 | C09 | C10 | H1 | 90.0° | 90.1° |
| C05 | C09 | C10 | H2 | 30.0° | 29.9° |
| C05 | C09 | C10 | H3 | 149.9° | 150.0° |
| C09 | C05 | C06 | H7 | 0.3° | 0.5° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C04 | C05 | C06 | C01 | 0.2° | 0.6° |
| C05 | C04 | C03 | H6 | 179.9° | 180.0° |
| C04 | C05 | C06 | H7 | 179.8° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.3° |
| C04 | C03 | C02 | H6 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.4° | 0.1° |
| C04 | C03 | C02 | H5 | 179.6° | 180.0° |
| C05 | C06 | C01 | H7 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.7° | 0.6° |
| C05 | C06 | C01 | C24 | 179.3° | 179.7° |
| C03 | C02 | C01 | C06 | 0.8° | 0.3° |
| C03 | C02 | C01 | H5 | 180.0° | 179.9° |
| C03 | C02 | C01 | C24 | 179.4° | 180.0° |
| C06 | C01 | C02 | C24 | 178.6° | 179.7° |
| C06 | C01 | C24 | O25 | 10.7° | 0.3° |
| C06 | C01 | C24 | N26 | 168.1° | 179.7° |
| C06 | C01 | C02 | H5 | 179.2° | 179.8° |
| C02 | C01 | C24 | O25 | 170.7° | 180.0° |
| C02 | C01 | C24 | N26 | 10.5° | 0.0° |
| C01 | C02 | C03 | H6 | 179.6° | 180.0° |
| C02 | C01 | C06 | H7 | 179.2° | 180.0° |
| C01 | C24 | O25 | N26 | 178.9° | 180.0° |
| C01 | C24 | N26 | C27 | 178.6° | 180.0° |
| C24 | C01 | C02 | H5 | 0.6° | 0.1° |
| C24 | C01 | C06 | H7 | 0.6° | 0.3° |
| C01 | C24 | N26 | H39 | 1.4° | 0.0° |
| O25 | C24 | N26 | C27 | 0.3° | 0.0° |
| O25 | C24 | N26 | H39 | 179.7° | 180.0° |
| C24 | N26 | C27 | H39 | 180.0° | 180.0° |
| C24 | N26 | C27 | C34 | 143.0° | 84.9° |
| C24 | N26 | C27 | C28 | 96.3° | 155.0° |
| C24 | N26 | C27 | H16 | 24.8° | 35.0° |
| N26 | C27 | C34 | C28 | 123.3° | 120.1° |
| N26 | C27 | C34 | H16 | 118.8° | 119.9° |
| N26 | C27 | C28 | H16 | 121.6° | 119.9° |
| N26 | C27 | C28 | C29 | 0.8° | 39.7° |
| N26 | C27 | C28 | C33 | 179.4° | 139.9° |
| N26 | C27 | C34 | H21 | 180.0° | 60.1° |
| N26 | C27 | C34 | H22 | 60.0° | 180.0° |
| N26 | C27 | C34 | H23 | 60.0° | 59.9° |
| C34 | C27 | C28 | H16 | 117.9° | 120.0° |
| C34 | C27 | C28 | C29 | 119.8° | 80.3° |
| C34 | C27 | C28 | C33 | 60.1° | 100.0° |
| C27 | C34 | H21 | H22 | 120.0° | 120.0° |
| C27 | C34 | H21 | H23 | 120.0° | 120.0° |
| C27 | C34 | H22 | H23 | 120.0° | 120.0° |
| C34 | C27 | N26 | H39 | 37.0° | 95.0° |
| C27 | C28 | C29 | C33 | 179.9° | 179.7° |
| C27 | C28 | C29 | C30 | 179.9° | 179.7° |
| C27 | C28 | C33 | C32 | 179.9° | 179.6° |
| C27 | C28 | C29 | H17 | 0.1° | 0.3° |
| C27 | C28 | C33 | H20 | 0.1° | 0.0° |
| C28 | C27 | C34 | H21 | 56.7° | 60.0° |
| C28 | C27 | C34 | H22 | 176.7° | 60.0° |
| C28 | C27 | C34 | H23 | 63.3° | 180.0° |
| C28 | C27 | N26 | H39 | 83.7° | 25.0° |
| C28 | C29 | C30 | H17 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C29 | C28 | C33 | C32 | 0.0° | 0.0° |
| C29 | C28 | C27 | H16 | 122.4° | 159.7° |
| C28 | C29 | C30 | H18 | 180.0° | 179.9° |
| C29 | C28 | C33 | H20 | 179.9° | 179.7° |
| C30 | C29 | C28 | C33 | 0.1° | 0.0° |
| C29 | C30 | C31 | H18 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | C35 | 180.0° | 180.0° |
| C28 | C33 | C32 | H20 | 180.0° | 179.6° |
| C28 | C33 | C32 | C31 | 0.1° | 0.1° |
| C33 | C28 | C27 | H16 | 57.8° | 20.0° |
| C33 | C28 | C29 | H17 | 179.9° | 180.0° |
| C28 | C33 | C32 | H19 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C30 | C31 | C32 | C35 | 179.9° | 180.0° |
| C30 | C31 | C35 | C38 | 48.4° | 60.0° |
| C30 | C31 | C35 | C36 | 71.7° | 59.9° |
| C30 | C31 | C35 | C37 | 168.1° | 180.0° |
| C31 | C30 | C29 | H17 | 180.0° | 180.0° |
| C30 | C31 | C32 | H19 | 179.9° | 180.0° |
| C33 | C32 | C31 | H19 | 180.0° | 179.9° |
| C33 | C32 | C31 | C35 | 180.0° | 179.9° |
| C32 | C31 | C35 | C38 | 131.7° | 120.0° |
| C32 | C31 | C35 | C36 | 108.2° | 120.0° |
| C32 | C31 | C35 | C37 | 11.9° | 0.0° |
| C32 | C31 | C30 | H18 | 179.9° | 180.0° |
| C31 | C32 | C33 | H20 | 180.0° | 179.8° |
| C31 | C35 | C38 | C36 | 120.3° | 119.9° |
| C31 | C35 | C38 | C37 | 119.8° | 120.0° |
| C31 | C35 | C36 | C37 | 120.2° | 120.1° |
| C35 | C31 | C30 | H18 | 0.0° | 0.0° |
| C35 | C31 | C32 | H19 | 0.0° | 0.0° |
| C31 | C35 | C36 | H24 | 180.0° | 60.1° |
| C31 | C35 | C36 | H25 | 60.0° | 179.9° |
| C31 | C35 | C36 | H26 | 60.0° | 60.0° |
| C31 | C35 | C37 | H27 | 180.0° | 59.9° |
| C31 | C35 | C37 | H28 | 60.0° | 180.0° |
| C31 | C35 | C37 | H29 | 60.0° | 60.0° |
| C31 | C35 | C38 | H30 | 180.0° | 60.0° |
| C31 | C35 | C38 | H31 | 60.0° | 180.0° |
| C31 | C35 | C38 | H32 | 60.0° | 60.0° |
| C38 | C35 | C36 | C37 | 119.8° | 120.0° |
| C38 | C35 | C36 | H24 | 60.0° | 180.0° |
| C38 | C35 | C36 | H25 | 180.0° | 60.0° |
| C38 | C35 | C36 | H26 | 60.0° | 60.0° |
| C38 | C35 | C37 | H27 | 60.3° | 60.0° |
| C38 | C35 | C37 | H28 | 59.7° | 60.0° |
| C38 | C35 | C37 | H29 | 179.7° | 180.0° |
| C35 | C38 | H30 | H31 | 120.0° | 120.0° |
| C35 | C38 | H30 | H32 | 120.0° | 120.0° |
| C35 | C38 | H31 | H32 | 120.0° | 120.0° |
| C35 | C36 | H24 | H25 | 120.0° | 120.0° |
| C35 | C36 | H24 | H26 | 120.0° | 120.0° |
| C35 | C36 | H25 | H26 | 119.9° | 120.0° |
| C36 | C35 | C37 | H27 | 59.6° | 180.0° |
| C36 | C35 | C37 | H28 | 179.6° | 60.0° |
| C36 | C35 | C37 | H29 | 60.4° | 60.0° |
| C36 | C35 | C38 | H30 | 59.7° | 60.0° |
| C36 | C35 | C38 | H31 | 60.3° | 60.0° |
| C36 | C35 | C38 | H32 | 179.7° | 180.0° |
| C37 | C35 | C36 | H24 | 59.8° | 60.0° |
| C37 | C35 | C36 | H25 | 60.2° | 60.0° |
| C37 | C35 | C36 | H26 | 179.8° | 180.0° |
| C35 | C37 | H27 | H28 | 120.0° | 120.1° |
| C35 | C37 | H27 | H29 | 120.0° | 120.0° |
| C35 | C37 | H28 | H29 | 120.0° | 120.0° |
| C37 | C35 | C38 | H30 | 60.2° | 180.0° |
| C37 | C35 | C38 | H31 | 179.8° | 60.0° |
| C37 | C35 | C38 | H32 | 59.8° | 60.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | C14 | H13 | 0.1° | 0.0° |
| H4 | C15 | C16 | H14 | 0.2° | 0.2° |
| H5 | C02 | C03 | H6 | 0.4° | 0.1° |
| H8 | C11 | H9 | H10 | 120.0° | 119.9° |
| H16 | C27 | C34 | H21 | 61.2° | 180.0° |
| H16 | C27 | C34 | H22 | 58.8° | 60.0° |
| H16 | C27 | C34 | H23 | 178.8° | 60.0° |
| H16 | C27 | N26 | H39 | 155.2° | 145.0° |
| H17 | C29 | C30 | H18 | 0.0° | 0.0° |
| H19 | C32 | C33 | H20 | 0.0° | 0.3° |
| H21 | C34 | H22 | H23 | 120.0° | 120.0° |
| H24 | C36 | H25 | H26 | 120.0° | 120.0° |
| H27 | C37 | H28 | H29 | 120.0° | 119.9° |
| H30 | C38 | H31 | H32 | 120.0° | 120.0° |
| H33 | C39 | H34 | H35 | 120.0° | 119.9° |
| H36 | C40 | H37 | H38 | 120.0° | 120.0° |
