A1EUP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C24 | doub | 1.38Å | 1.53Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| CL01 | C28 | sing | 1.74Å | 1.79Å | |
| C28 | C26 | doub | 1.38Å | 1.52Å | Aromatic |
| C17 | C13 | sing | 1.51Å | 1.55Å | |
| C17 | C23 | doub | 1.38Å | 1.52Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C26 | C23 | sing | 1.38Å | 1.53Å | Aromatic |
| C12 | C15 | sing | 1.53Å | 1.55Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C43 | N11 | doub | 1.32Å | 1.46Å | Aromatic |
| C43 | C42 | sing | 1.39Å | 1.48Å | Aromatic |
| C15 | O02 | sing | 1.43Å | 1.43Å | |
| N11 | C37 | sing | 1.33Å | 1.52Å | Aromatic |
| O07 | C25 | doub | 1.21Å | 1.26Å | |
| O06 | C25 | sing | 1.34Å | 1.26Å | |
| C42 | C38 | doub | 1.38Å | 1.46Å | Aromatic |
| C25 | C16 | sing | 1.51Å | 1.53Å | |
| O02 | C16 | sing | 1.43Å | 1.43Å | |
| C37 | N10 | sing | 1.36Å | 1.32Å | Aromatic |
| C37 | C33 | doub | 1.41Å | 1.38Å | Aromatic |
| C38 | C33 | sing | 1.39Å | 1.53Å | Aromatic |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C19 | sing | 1.53Å | 1.52Å | |
| N10 | C34 | doub | 1.30Å | 1.36Å | Aromatic |
| C33 | N09 | sing | 1.38Å | 1.33Å | Aromatic |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| O08 | C29 | doub | 1.22Å | 1.18Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| O04 | C21 | sing | 1.43Å | 1.40Å | |
| C34 | N09 | sing | 1.36Å | 1.36Å | Aromatic |
| N09 | C31 | sing | 1.39Å | 1.47Å | |
| C20 | O03 | sing | 1.43Å | 1.41Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C29 | O03 | sing | 1.35Å | 1.42Å | |
| C29 | C30 | sing | 1.41Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | doub | 1.36Å | 1.35Å | |
| C31 | C32 | sing | 1.48Å | 1.55Å | |
| C22 | O05 | sing | 1.43Å | 1.40Å | |
| C35 | C32 | doub | 1.40Å | 1.52Å | Aromatic |
| C35 | C39 | sing | 1.38Å | 1.52Å | Aromatic |
| C32 | C36 | sing | 1.40Å | 1.52Å | Aromatic |
| C39 | C41 | doub | 1.38Å | 1.52Å | Aromatic |
| C36 | C40 | doub | 1.38Å | 1.53Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.52Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.08Å | 1.08Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å | |
| C40 | H24 | sing | 1.08Å | 1.08Å | |
| C41 | H25 | sing | 1.08Å | 1.08Å | |
| C42 | H26 | sing | 1.08Å | 1.08Å | |
| C43 | H27 | sing | 1.08Å | 1.08Å | |
| O04 | H28 | sing | 0.97Å | 0.95Å | |
| O05 | H29 | sing | 0.97Å | 0.95Å | |
| O06 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C27 | C28 | 119.6° | 120.0° |
| C27 | C24 | C17 | 121.5° | 120.0° |
| C27 | C24 | H15 | 119.3° | 120.0° |
| C24 | C27 | H17 | 120.2° | 120.0° |
| C27 | C28 | CL01 | 120.9° | 120.0° |
| C27 | C28 | C26 | 118.6° | 120.0° |
| C28 | C27 | H17 | 120.2° | 120.0° |
| C24 | C17 | C13 | 120.0° | 120.0° |
| C24 | C17 | C23 | 119.1° | 120.0° |
| C17 | C24 | H15 | 119.2° | 119.9° |
| CL01 | C28 | C26 | 120.5° | 120.0° |
| C28 | C26 | C23 | 122.0° | 120.0° |
| C28 | C26 | H16 | 119.0° | 120.0° |
| C13 | C17 | C23 | 121.0° | 120.0° |
| C17 | C13 | C12 | 137.2° | 117.5° |
| C17 | C13 | C14 | 116.1° | 117.5° |
| C17 | C13 | H2 | 110.1° | 115.6° |
| C17 | C23 | C26 | 119.2° | 120.0° |
| C17 | C23 | H14 | 120.4° | 120.0° |
| C12 | C13 | C14 | 59.9° | 60.0° |
| C13 | C12 | C15 | 111.9° | 117.5° |
| C13 | C12 | C14 | 60.2° | 60.0° |
| C13 | C12 | H1 | 118.8° | 117.6° |
| C12 | C13 | H2 | 110.5° | 117.5° |
| C13 | C14 | C12 | 59.9° | 60.0° |
| C14 | C13 | H2 | 110.4° | 117.5° |
| C13 | C14 | H3 | 120.0° | 117.5° |
| C13 | C14 | H4 | 120.0° | 117.6° |
| C26 | C23 | H14 | 120.4° | 120.0° |
| C23 | C26 | H16 | 119.0° | 119.9° |
| C15 | C12 | C14 | 115.5° | 117.5° |
| C12 | C15 | O02 | 110.8° | 109.5° |
| C15 | C12 | H1 | 118.3° | 115.5° |
| C12 | C15 | H5 | 109.1° | 109.4° |
| C12 | C15 | H6 | 109.1° | 109.5° |
| C14 | C12 | H1 | 118.8° | 117.5° |
| C12 | C14 | H3 | 120.0° | 117.5° |
| C12 | C14 | H4 | 120.0° | 117.5° |
| N11 | C43 | C42 | 119.5° | 121.4° |
| C43 | N11 | C37 | 120.1° | 121.5° |
| N11 | C43 | H27 | 120.2° | 119.3° |
| C43 | C42 | C38 | 119.8° | 119.4° |
| C43 | C42 | H26 | 120.1° | 120.3° |
| C42 | C43 | H27 | 120.3° | 119.3° |
| C15 | O02 | C16 | 115.4° | 114.0° |
| O02 | C15 | H5 | 109.1° | 109.5° |
| O02 | C15 | H6 | 109.1° | 109.5° |
| N11 | C37 | N10 | 130.9° | 133.3° |
| N11 | C37 | C33 | 121.0° | 119.9° |
| O07 | C25 | O06 | 120.1° | 119.9° |
| O07 | C25 | C16 | 119.5° | 120.0° |
| O06 | C25 | C16 | 120.4° | 120.0° |
| C25 | O06 | H30 | 109.5° | 117.0° |
| C42 | C38 | C33 | 120.1° | 118.2° |
| C42 | C38 | H22 | 119.9° | 120.9° |
| C38 | C42 | H26 | 120.1° | 120.3° |
| C25 | C16 | O02 | 112.1° | 109.5° |
| C25 | C16 | C18 | 109.3° | 109.5° |
| C25 | C16 | C19 | 108.4° | 109.5° |
| O02 | C16 | C18 | 108.9° | 109.4° |
| O02 | C16 | C19 | 107.4° | 109.4° |
| N10 | C37 | C33 | 108.1° | 106.8° |
| C37 | N10 | C34 | 107.9° | 109.9° |
| C37 | C33 | C38 | 119.5° | 119.5° |
| C37 | C33 | N09 | 108.0° | 106.2° |
| C38 | C33 | N09 | 132.5° | 134.4° |
| C33 | C38 | H22 | 120.0° | 120.9° |
| C18 | C16 | C19 | 110.7° | 109.5° |
| C16 | C18 | C20 | 110.1° | 109.5° |
| C16 | C18 | H7 | 109.3° | 109.5° |
| C16 | C18 | H8 | 109.4° | 109.4° |
| C16 | C19 | C21 | 108.8° | 109.5° |
| C16 | C19 | H9 | 109.6° | 109.5° |
| C16 | C19 | H10 | 109.6° | 109.5° |
| N10 | C34 | N09 | 108.5° | 110.0° |
| N10 | C34 | H19 | 125.7° | 125.0° |
| C33 | N09 | C34 | 107.5° | 107.1° |
| C33 | N09 | C31 | 127.4° | 126.5° |
| C18 | C20 | O03 | 109.6° | 109.4° |
| C18 | C20 | C22 | 111.6° | 109.5° |
| C20 | C18 | H7 | 109.3° | 109.5° |
| C20 | C18 | H8 | 109.3° | 109.5° |
| C18 | C20 | H11 | 108.8° | 109.4° |
| O08 | C29 | O03 | 120.1° | 120.0° |
| O08 | C29 | C30 | 122.4° | 120.0° |
| C19 | C21 | O04 | 107.7° | 109.4° |
| C19 | C21 | C22 | 111.2° | 109.5° |
| C21 | C19 | H9 | 109.6° | 109.4° |
| C21 | C19 | H10 | 109.6° | 109.5° |
| C19 | C21 | H12 | 109.5° | 109.5° |
| O04 | C21 | C22 | 107.8° | 109.5° |
| O04 | C21 | H12 | 111.3° | 109.5° |
| C21 | O04 | H28 | 109.5° | 113.9° |
| C34 | N09 | C31 | 125.1° | 126.4° |
| N09 | C34 | H19 | 125.8° | 125.0° |
| N09 | C31 | C30 | 123.0° | 120.0° |
| N09 | C31 | C32 | 121.5° | 120.0° |
| O03 | C20 | C22 | 107.7° | 109.5° |
| C20 | O03 | C29 | 115.5° | 117.0° |
| O03 | C20 | H11 | 110.4° | 109.4° |
| C20 | C22 | C21 | 112.0° | 109.5° |
| C20 | C22 | O05 | 107.7° | 109.5° |
| C22 | C20 | H11 | 108.8° | 109.5° |
| C20 | C22 | H13 | 109.0° | 109.4° |
| O03 | C29 | C30 | 117.6° | 119.9° |
| C29 | C30 | C31 | 127.9° | 119.9° |
| C29 | C30 | H18 | 116.0° | 120.0° |
| C21 | C22 | O05 | 108.6° | 109.5° |
| C22 | C21 | H12 | 109.4° | 109.5° |
| C21 | C22 | H13 | 108.9° | 109.5° |
| C30 | C31 | C32 | 115.5° | 120.0° |
| C31 | C30 | H18 | 116.0° | 120.0° |
| C31 | C32 | C35 | 122.6° | 120.1° |
| C31 | C32 | C36 | 118.8° | 120.2° |
| O05 | C22 | H13 | 110.7° | 109.5° |
| C22 | O05 | H29 | 109.5° | 114.0° |
| C32 | C35 | C39 | 121.5° | 119.8° |
| C35 | C32 | C36 | 118.6° | 119.7° |
| C32 | C35 | H20 | 119.2° | 120.1° |
| C35 | C39 | C41 | 119.7° | 120.2° |
| C39 | C35 | H20 | 119.2° | 120.1° |
| C35 | C39 | H23 | 120.1° | 119.9° |
| C32 | C36 | C40 | 120.1° | 119.8° |
| C32 | C36 | H21 | 119.9° | 120.1° |
| C39 | C41 | C40 | 119.1° | 120.3° |
| C41 | C39 | H23 | 120.1° | 119.9° |
| C39 | C41 | H25 | 120.4° | 119.8° |
| C36 | C40 | C41 | 120.9° | 120.2° |
| C40 | C36 | H21 | 119.9° | 120.1° |
| C36 | C40 | H24 | 119.6° | 119.9° |
| C41 | C40 | H24 | 119.6° | 119.9° |
| C40 | C41 | H25 | 120.4° | 119.9° |
| H3 | C14 | H4 | 109.5° | 115.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.4° | 109.4° |
| H9 | C19 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C27 | C28 | H17 | 180.0° | 180.0° |
| C27 | C24 | C17 | H15 | 180.0° | 179.9° |
| C24 | C27 | C28 | CL01 | 179.8° | 180.0° |
| C24 | C27 | C28 | C26 | 0.7° | 0.3° |
| C27 | C24 | C17 | C13 | 179.9° | 180.0° |
| C27 | C24 | C17 | C23 | 1.1° | 0.2° |
| C28 | C27 | C24 | C17 | 1.1° | 0.0° |
| C27 | C28 | CL01 | C26 | 179.5° | 179.8° |
| C27 | C28 | C26 | C23 | 0.3° | 0.2° |
| C28 | C27 | C24 | H15 | 178.9° | 180.0° |
| C27 | C28 | C26 | H16 | 179.7° | 179.7° |
| C24 | C17 | C13 | C23 | 179.0° | 179.8° |
| C24 | C17 | C13 | C12 | 76.1° | 59.8° |
| C24 | C17 | C13 | C14 | 148.9° | 8.8° |
| C24 | C17 | C23 | C26 | 0.6° | 0.2° |
| C24 | C17 | C13 | H2 | 84.7° | 154.6° |
| C24 | C17 | C23 | H14 | 179.4° | 179.8° |
| C17 | C24 | C27 | H17 | 178.8° | 179.9° |
| CL01 | C28 | C26 | C23 | 179.8° | 180.0° |
| CL01 | C28 | C26 | H16 | 0.2° | 0.0° |
| CL01 | C28 | C27 | H17 | 0.2° | 0.1° |
| C28 | C26 | C23 | C17 | 0.2° | 0.0° |
| C28 | C26 | C23 | H16 | 180.0° | 180.0° |
| C28 | C26 | C23 | H14 | 179.8° | 180.0° |
| C26 | C28 | C27 | H17 | 179.3° | 179.7° |
| C17 | C13 | C12 | C14 | 97.0° | 107.5° |
| C17 | C13 | C12 | H2 | 160.7° | 145.0° |
| C17 | C13 | C14 | H2 | 126.2° | 145.1° |
| C13 | C17 | C23 | C26 | 179.6° | 180.0° |
| C17 | C13 | C12 | C15 | 10.8° | 0.0° |
| C17 | C13 | C12 | H1 | 154.4° | 145.0° |
| C17 | C13 | C14 | H3 | 119.3° | 0.0° |
| C17 | C13 | C14 | H4 | 21.9° | 145.0° |
| C13 | C17 | C23 | H14 | 0.4° | 0.0° |
| C13 | C17 | C24 | H15 | 0.1° | 0.0° |
| C23 | C17 | C13 | C12 | 102.9° | 120.0° |
| C23 | C17 | C13 | C14 | 30.1° | 171.4° |
| C17 | C23 | C26 | H14 | 180.0° | 180.0° |
| C23 | C17 | C13 | H2 | 96.3° | 25.6° |
| C23 | C17 | C24 | H15 | 178.9° | 179.8° |
| C17 | C23 | C26 | H16 | 179.8° | 180.0° |
| C12 | C13 | C14 | H2 | 102.5° | 107.5° |
| C13 | C12 | C15 | C14 | 66.4° | 68.7° |
| C13 | C12 | C15 | H1 | 143.8° | 145.8° |
| C13 | C12 | C14 | H1 | 108.6° | 107.6° |
| C13 | C12 | C15 | O02 | 141.4° | 175.0° |
| C12 | C13 | C14 | H3 | 109.4° | 107.5° |
| C12 | C13 | C14 | H4 | 109.4° | 107.5° |
| C13 | C12 | C15 | H5 | 21.2° | 65.0° |
| C13 | C12 | C15 | H6 | 98.3° | 55.0° |
| C13 | C14 | H3 | H4 | 144.8° | 145.7° |
| C15 | C12 | C14 | H1 | 149.7° | 144.9° |
| C12 | C15 | O02 | H5 | 120.2° | 120.0° |
| C12 | C15 | O02 | H6 | 120.2° | 120.0° |
| C12 | C15 | O02 | C16 | 161.8° | 174.7° |
| C15 | C12 | C13 | H2 | 149.9° | 145.0° |
| C15 | C12 | C14 | H3 | 148.9° | 0.0° |
| C15 | C12 | C14 | H4 | 7.8° | 144.9° |
| C12 | C15 | H5 | H6 | 119.4° | 120.0° |
| C14 | C12 | C15 | O02 | 75.1° | 116.3° |
| C12 | C14 | H3 | H4 | 144.8° | 145.7° |
| C14 | C12 | C15 | H5 | 45.1° | 3.7° |
| C14 | C12 | C15 | H6 | 164.7° | 123.7° |
| N11 | C43 | C42 | H27 | 180.0° | 179.6° |
| N11 | C43 | C42 | C38 | 0.2° | 0.3° |
| C43 | N11 | C37 | N10 | 179.9° | 179.9° |
| C43 | N11 | C37 | C33 | 0.2° | 0.2° |
| N11 | C43 | C42 | H26 | 179.8° | 179.6° |
| C42 | C43 | N11 | C37 | 0.1° | 0.5° |
| C43 | C42 | C38 | H26 | 180.0° | 180.0° |
| C43 | C42 | C38 | C33 | 0.2° | 0.0° |
| C43 | C42 | C38 | H22 | 179.8° | 180.0° |
| C15 | O02 | C16 | C25 | 43.3° | 60.4° |
| C15 | O02 | C16 | C18 | 77.8° | 59.6° |
| C15 | O02 | C16 | C19 | 162.3° | 179.6° |
| O02 | C15 | C12 | H1 | 74.8° | 29.2° |
| O02 | C15 | H5 | H6 | 119.4° | 120.0° |
| N11 | C37 | N10 | C33 | 179.9° | 180.0° |
| N11 | C37 | C33 | C38 | 0.2° | 0.2° |
| N11 | C37 | N10 | C34 | 179.6° | 180.0° |
| N11 | C37 | C33 | N09 | 179.9° | 180.0° |
| C37 | N11 | C43 | H27 | 179.9° | 180.0° |
| O07 | C25 | O06 | C16 | 179.6° | 180.0° |
| O07 | C25 | C16 | O02 | 73.2° | 144.9° |
| O07 | C25 | C16 | C18 | 166.0° | 24.9° |
| O07 | C25 | C16 | C19 | 45.2° | 95.1° |
| O07 | C25 | O06 | H30 | 0.0° | 0.0° |
| O06 | C25 | C16 | O02 | 107.2° | 35.1° |
| O06 | C25 | C16 | C18 | 13.7° | 155.1° |
| O06 | C25 | C16 | C19 | 134.5° | 84.9° |
| C42 | C38 | C33 | C37 | 0.1° | 0.3° |
| C42 | C38 | C33 | H22 | 180.0° | 179.9° |
| C42 | C38 | C33 | N09 | 179.6° | 180.0° |
| C38 | C42 | C43 | H27 | 179.7° | 179.9° |
| C25 | C16 | O02 | C18 | 121.1° | 120.0° |
| C25 | C16 | O02 | C19 | 119.0° | 120.0° |
| C25 | C16 | C18 | C19 | 119.4° | 120.0° |
| C25 | C16 | C18 | C20 | 178.9° | 180.0° |
| C25 | C16 | C19 | C21 | 179.1° | 180.0° |
| C25 | C16 | C18 | H7 | 61.0° | 60.0° |
| C25 | C16 | C18 | H8 | 58.8° | 60.0° |
| C25 | C16 | C19 | H9 | 61.1° | 60.0° |
| C25 | C16 | C19 | H10 | 59.2° | 59.9° |
| C16 | C25 | O06 | H30 | 179.6° | 180.0° |
| O02 | C16 | C18 | C19 | 117.8° | 119.9° |
| O02 | C16 | C18 | C20 | 58.3° | 60.0° |
| O02 | C16 | C19 | C21 | 57.7° | 60.0° |
| C16 | O02 | C15 | H5 | 41.6° | 65.3° |
| C16 | O02 | C15 | H6 | 78.0° | 54.7° |
| O02 | C16 | C18 | H7 | 61.7° | 60.1° |
| O02 | C16 | C18 | H8 | 178.4° | 180.0° |
| O02 | C16 | C19 | H9 | 177.6° | 180.0° |
| O02 | C16 | C19 | H10 | 62.1° | 60.1° |
| N10 | C37 | C33 | C38 | 179.8° | 179.7° |
| N10 | C37 | C33 | N09 | 0.1° | 0.0° |
| C37 | N10 | C34 | N09 | 0.5° | 0.0° |
| C37 | N10 | C34 | H19 | 179.5° | 179.9° |
| C37 | C33 | C38 | N09 | 179.6° | 179.7° |
| C33 | C37 | N10 | C34 | 0.4° | 0.0° |
| C37 | C33 | N09 | C34 | 0.2° | 0.0° |
| C37 | C33 | N09 | C31 | 179.6° | 180.0° |
| C37 | C33 | C38 | H22 | 179.9° | 179.8° |
| C38 | C33 | N09 | C34 | 179.4° | 179.7° |
| C38 | C33 | N09 | C31 | 0.0° | 0.3° |
| C33 | C38 | C42 | H26 | 179.8° | 180.0° |
| C16 | C18 | C20 | H7 | 120.1° | 120.0° |
| C16 | C18 | C20 | H8 | 120.1° | 119.9° |
| C18 | C16 | C19 | C21 | 61.0° | 59.9° |
| C16 | C18 | C20 | O03 | 173.6° | 180.0° |
| C16 | C18 | C20 | C22 | 54.4° | 59.9° |
| C16 | C18 | H7 | H8 | 119.8° | 119.9° |
| C18 | C16 | C19 | H9 | 58.9° | 60.0° |
| C18 | C16 | C19 | H10 | 179.1° | 180.0° |
| C16 | C18 | C20 | H11 | 65.6° | 60.1° |
| C19 | C16 | C18 | C20 | 59.5° | 59.9° |
| C16 | C19 | C21 | H9 | 119.9° | 120.0° |
| C16 | C19 | C21 | H10 | 119.9° | 120.0° |
| C16 | C19 | C21 | O04 | 59.8° | 60.0° |
| C16 | C19 | C21 | C22 | 58.1° | 60.0° |
| C19 | C16 | C18 | H7 | 179.6° | 180.0° |
| C19 | C16 | C18 | H8 | 60.6° | 60.1° |
| C16 | C19 | H9 | H10 | 120.3° | 120.0° |
| C16 | C19 | C21 | H12 | 179.1° | 180.0° |
| N10 | C34 | N09 | C33 | 0.4° | 0.0° |
| N10 | C34 | N09 | H19 | 180.0° | 179.9° |
| N10 | C34 | N09 | C31 | 179.9° | 180.0° |
| C33 | N09 | C34 | C31 | 179.5° | 180.0° |
| C33 | N09 | C31 | C30 | 116.0° | 75.0° |
| C33 | N09 | C31 | C32 | 65.4° | 105.0° |
| C33 | N09 | C34 | H19 | 179.6° | 179.9° |
| N09 | C33 | C38 | H22 | 0.4° | 0.1° |
| C18 | C20 | O03 | C22 | 121.6° | 120.1° |
| C18 | C20 | O03 | H11 | 119.8° | 119.9° |
| C18 | C20 | C22 | H11 | 120.0° | 120.0° |
| C18 | C20 | O03 | C29 | 91.8° | 150.0° |
| C18 | C20 | C22 | C21 | 52.4° | 60.0° |
| C18 | C20 | C22 | O05 | 171.7° | 180.0° |
| C20 | C18 | H7 | H8 | 119.7° | 120.1° |
| C18 | C20 | C22 | H13 | 68.1° | 60.0° |
| O08 | C29 | O03 | C20 | 5.8° | 0.0° |
| O08 | C29 | O03 | C30 | 179.5° | 180.0° |
| O08 | C29 | C30 | C31 | 12.9° | 0.0° |
| O08 | C29 | C30 | H18 | 167.2° | 180.0° |
| C19 | C21 | O04 | C22 | 120.1° | 120.0° |
| C19 | C21 | O04 | H12 | 120.0° | 120.0° |
| C19 | C21 | C22 | C20 | 54.5° | 59.9° |
| C19 | C21 | C22 | H12 | 121.0° | 120.0° |
| C19 | C21 | C22 | O05 | 173.3° | 180.0° |
| C21 | C19 | H9 | H10 | 120.3° | 120.0° |
| C19 | C21 | C22 | H13 | 66.1° | 60.0° |
| C19 | C21 | O04 | H28 | 180.0° | 180.0° |
| O04 | C21 | C22 | C20 | 63.4° | 60.0° |
| O04 | C21 | C22 | H12 | 121.1° | 120.0° |
| O04 | C21 | C22 | O05 | 55.4° | 60.0° |
| O04 | C21 | C19 | H9 | 179.7° | 180.0° |
| O04 | C21 | C19 | H10 | 60.0° | 60.0° |
| O04 | C21 | C22 | H13 | 176.0° | 180.0° |
| C34 | N09 | C31 | C30 | 64.6° | 105.0° |
| C34 | N09 | C31 | C32 | 114.0° | 75.0° |
| N09 | C31 | C30 | C29 | 0.7° | 0.0° |
| N09 | C31 | C30 | C32 | 178.7° | 180.0° |
| N09 | C31 | C32 | C35 | 12.3° | 65.3° |
| N09 | C31 | C32 | C36 | 167.7° | 115.0° |
| N09 | C31 | C30 | H18 | 179.3° | 180.0° |
| C31 | N09 | C34 | H19 | 0.1° | 0.1° |
| O03 | C20 | C22 | H11 | 119.6° | 120.0° |
| C20 | O03 | C29 | C30 | 174.7° | 180.0° |
| O03 | C20 | C22 | C21 | 172.8° | 180.0° |
| O03 | C20 | C22 | O05 | 67.9° | 60.0° |
| O03 | C20 | C18 | H7 | 66.3° | 59.9° |
| O03 | C20 | C18 | H8 | 53.5° | 60.1° |
| O03 | C20 | C22 | H13 | 52.2° | 60.0° |
| C22 | C20 | O03 | C29 | 146.6° | 89.9° |
| C20 | C22 | C21 | O05 | 118.8° | 120.0° |
| C20 | C22 | C21 | H13 | 120.6° | 119.9° |
| C20 | C22 | O05 | H13 | 119.1° | 119.9° |
| C22 | C20 | C18 | H7 | 174.5° | 180.0° |
| C22 | C20 | C18 | H8 | 65.7° | 60.0° |
| C20 | C22 | C21 | H12 | 175.5° | 180.0° |
| C20 | C22 | O05 | H29 | 180.0° | 180.0° |
| O03 | C29 | C30 | C31 | 167.6° | 180.0° |
| C29 | O03 | C20 | H11 | 28.0° | 30.1° |
| O03 | C29 | C30 | H18 | 12.4° | 0.0° |
| C29 | C30 | C31 | H18 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 179.4° | 180.0° |
| C21 | C22 | O05 | H13 | 119.5° | 120.0° |
| C22 | C21 | C19 | H9 | 61.8° | 60.0° |
| C22 | C21 | C19 | H10 | 178.0° | 180.0° |
| C21 | C22 | C20 | H11 | 67.6° | 60.0° |
| C22 | C21 | O04 | H28 | 59.9° | 60.0° |
| C21 | C22 | O05 | H29 | 58.5° | 60.0° |
| C30 | C31 | C32 | C35 | 169.0° | 114.8° |
| C30 | C31 | C32 | C36 | 11.1° | 65.0° |
| C31 | C32 | C35 | C36 | 180.0° | 179.8° |
| C31 | C32 | C35 | C39 | 179.6° | 180.0° |
| C31 | C32 | C36 | C40 | 179.8° | 180.0° |
| C32 | C31 | C30 | H18 | 0.5° | 0.0° |
| C31 | C32 | C35 | H20 | 0.4° | 0.0° |
| C31 | C32 | C36 | H21 | 0.2° | 0.0° |
| O05 | C22 | C20 | H11 | 51.7° | 60.0° |
| O05 | C22 | C21 | H12 | 65.7° | 60.0° |
| C32 | C35 | C39 | H20 | 180.0° | 180.0° |
| C32 | C35 | C39 | C41 | 0.5° | 0.0° |
| C35 | C32 | C36 | C40 | 0.2° | 0.3° |
| C35 | C32 | C36 | H21 | 179.8° | 179.8° |
| C32 | C35 | C39 | H23 | 179.5° | 180.0° |
| C39 | C35 | C32 | C36 | 0.4° | 0.2° |
| C35 | C39 | C41 | H23 | 180.0° | 179.9° |
| C35 | C39 | C41 | C40 | 0.3° | 0.3° |
| C35 | C39 | C41 | H25 | 179.7° | 180.0° |
| C32 | C36 | C40 | H21 | 180.0° | 180.0° |
| C32 | C36 | C40 | C41 | 0.0° | 0.0° |
| C36 | C32 | C35 | H20 | 179.6° | 179.8° |
| C32 | C36 | C40 | H24 | 180.0° | 180.0° |
| C39 | C41 | C40 | C36 | 0.1° | 0.2° |
| C39 | C41 | C40 | H25 | 180.0° | 179.8° |
| C41 | C39 | C35 | H20 | 179.5° | 180.0° |
| C39 | C41 | C40 | H24 | 179.9° | 179.8° |
| C36 | C40 | C41 | H24 | 180.0° | 180.0° |
| C36 | C40 | C41 | H25 | 179.9° | 180.0° |
| C41 | C40 | C36 | H21 | 180.0° | 180.0° |
| C40 | C41 | C39 | H23 | 179.7° | 179.8° |
| H1 | C12 | C13 | H2 | 6.3° | 0.0° |
| H1 | C12 | C14 | H3 | 0.8° | 144.9° |
| H1 | C12 | C14 | H4 | 141.9° | 0.0° |
| H1 | C12 | C15 | H5 | 165.0° | 149.3° |
| H1 | C12 | C15 | H6 | 45.4° | 90.8° |
| H2 | C13 | C14 | H3 | 7.0° | 145.0° |
| H2 | C13 | C14 | H4 | 148.1° | 0.0° |
| H7 | C18 | C20 | H11 | 54.5° | 60.0° |
| H8 | C18 | C20 | H11 | 174.3° | 180.0° |
| H9 | C19 | C21 | H12 | 59.2° | 60.0° |
| H10 | C19 | C21 | H12 | 61.1° | 59.9° |
| H11 | C20 | C22 | H13 | 171.9° | 180.0° |
| H12 | C21 | C22 | H13 | 54.9° | 60.0° |
| H12 | C21 | O04 | H28 | 60.0° | 60.0° |
| H13 | C22 | O05 | H29 | 61.0° | 60.1° |
| H14 | C23 | C26 | H16 | 0.2° | 0.0° |
| H15 | C24 | C27 | H17 | 1.2° | 0.0° |
| H20 | C35 | C39 | H23 | 0.5° | 0.1° |
| H21 | C36 | C40 | H24 | 0.0° | 0.0° |
| H22 | C38 | C42 | H26 | 0.1° | 0.1° |
| H23 | C39 | C41 | H25 | 0.4° | 0.0° |
| H24 | C40 | C41 | H25 | 0.1° | 0.0° |
| H26 | C42 | C43 | H27 | 0.2° | 0.1° |
