4OL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O55 | C28 | doub | 1.22Å | 1.23Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | N21 | sing | 1.46Å | 1.48Å | |
| C17 | N15 | sing | 1.46Å | 1.47Å | |
| C28 | N21 | sing | 1.35Å | 1.33Å | |
| C28 | C34 | sing | 1.48Å | 1.51Å | |
| N21 | C29 | sing | 1.47Å | 1.46Å | |
| C39 | C34 | doub | 1.36Å | 1.37Å | |
| C39 | C38 | sing | 1.40Å | 1.39Å | |
| N15 | C14 | sing | 1.47Å | 1.47Å | |
| N15 | C16 | sing | 1.35Å | 1.34Å | |
| C34 | N35 | sing | 1.37Å | 1.42Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| O54 | C16 | doub | 1.22Å | 1.23Å | |
| C12 | N9 | sing | 1.47Å | 1.45Å | |
| C38 | C37 | doub | 1.36Å | 1.37Å | |
| C16 | C22 | sing | 1.48Å | 1.49Å | |
| N35 | O46 | sing | 1.42Å | 1.40Å | |
| N35 | C36 | sing | 1.35Å | 1.39Å | |
| C31 | N32 | sing | 1.47Å | 1.45Å | |
| N9 | C1 | sing | 1.35Å | 1.33Å | |
| C37 | C36 | sing | 1.41Å | 1.38Å | |
| C22 | C23 | doub | 1.36Å | 1.39Å | |
| C22 | N27 | sing | 1.37Å | 1.41Å | |
| C36 | O47 | doub | 1.22Å | 1.22Å | |
| C23 | C24 | sing | 1.40Å | 1.39Å | |
| O48 | N27 | sing | 1.42Å | 1.44Å | |
| N32 | C33 | sing | 1.35Å | 1.33Å | |
| C1 | O8 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| N27 | C26 | sing | 1.35Å | 1.41Å | |
| O10 | N3 | sing | 1.42Å | 1.47Å | |
| O50 | N45 | sing | 1.42Å | 1.42Å | |
| C33 | O53 | doub | 1.22Å | 1.19Å | |
| C33 | C40 | sing | 1.48Å | 1.49Å | |
| C24 | C25 | doub | 1.36Å | 1.39Å | |
| C2 | N3 | sing | 1.37Å | 1.41Å | |
| C2 | C7 | doub | 1.36Å | 1.39Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| C26 | C25 | sing | 1.41Å | 1.40Å | |
| C26 | O49 | doub | 1.22Å | 1.26Å | |
| N45 | C40 | sing | 1.37Å | 1.41Å | |
| N45 | C44 | sing | 1.35Å | 1.40Å | |
| C40 | C41 | doub | 1.36Å | 1.39Å | |
| C7 | C6 | sing | 1.40Å | 1.38Å | |
| C4 | O9 | doub | 1.22Å | 1.24Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | |
| O51 | C44 | doub | 1.22Å | 1.25Å | |
| C44 | C43 | sing | 1.41Å | 1.39Å | |
| C41 | C42 | sing | 1.40Å | 1.39Å | |
| C6 | C5 | doub | 1.36Å | 1.38Å | |
| C43 | C42 | doub | 1.36Å | 1.40Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C38 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| O46 | H22 | sing | 0.97Å | 0.95Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| N32 | H29 | sing | 0.97Å | 1.00Å | |
| O50 | H30 | sing | 0.97Å | 0.95Å | |
| C43 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H33 | sing | 1.08Å | 1.08Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| O48 | H36 | sing | 0.97Å | 0.95Å | |
| N9 | H37 | sing | 0.97Å | 1.00Å | |
| O10 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O55 | C28 | N21 | 121.9° | 120.0° |
| O55 | C28 | C34 | 117.5° | 120.0° |
| C17 | C18 | C19 | 112.6° | 109.5° |
| C18 | C17 | N15 | 108.0° | 109.5° |
| C18 | C17 | H10 | 109.8° | 109.5° |
| C18 | C17 | H11 | 109.9° | 109.5° |
| C17 | C18 | H12 | 108.7° | 109.5° |
| C17 | C18 | H13 | 108.7° | 109.4° |
| C18 | C19 | C20 | 111.5° | 109.5° |
| C19 | C18 | H12 | 108.7° | 109.5° |
| C19 | C18 | H13 | 108.7° | 109.5° |
| C18 | C19 | H34 | 109.0° | 109.5° |
| C18 | C19 | H35 | 109.0° | 109.5° |
| C19 | C20 | N21 | 108.3° | 109.5° |
| C19 | C20 | H14 | 109.8° | 109.5° |
| C19 | C20 | H15 | 109.8° | 109.5° |
| C20 | C19 | H34 | 109.0° | 109.5° |
| C20 | C19 | H35 | 109.0° | 109.5° |
| C20 | N21 | C28 | 120.4° | 120.0° |
| C20 | N21 | C29 | 116.3° | 120.0° |
| N21 | C20 | H14 | 109.8° | 109.5° |
| N21 | C20 | H15 | 109.8° | 109.5° |
| C17 | N15 | C14 | 114.8° | 120.1° |
| C17 | N15 | C16 | 121.4° | 120.0° |
| N15 | C17 | H10 | 109.8° | 109.5° |
| N15 | C17 | H11 | 109.8° | 109.5° |
| N21 | C28 | C34 | 120.5° | 120.0° |
| C28 | N21 | C29 | 123.3° | 120.0° |
| C28 | C34 | C39 | 119.4° | 119.7° |
| C28 | C34 | N35 | 120.8° | 119.8° |
| N21 | C29 | C30 | 111.1° | 109.4° |
| N21 | C29 | H23 | 109.1° | 109.5° |
| N21 | C29 | H24 | 109.1° | 109.5° |
| C34 | C39 | C38 | 120.1° | 119.9° |
| C39 | C34 | N35 | 119.7° | 120.5° |
| C34 | C39 | H19 | 120.0° | 120.0° |
| C39 | C38 | C37 | 120.6° | 119.4° |
| C38 | C39 | H19 | 120.0° | 120.1° |
| C39 | C38 | H20 | 119.7° | 120.2° |
| C14 | N15 | C16 | 123.7° | 120.0° |
| N15 | C14 | C13 | 109.1° | 109.5° |
| N15 | C14 | H8 | 109.6° | 109.5° |
| N15 | C14 | H9 | 109.6° | 109.5° |
| N15 | C16 | O54 | 122.3° | 120.0° |
| N15 | C16 | C22 | 119.8° | 120.0° |
| C34 | N35 | O46 | 118.5° | 119.7° |
| C34 | N35 | C36 | 119.6° | 120.7° |
| C14 | C13 | C12 | 110.2° | 109.5° |
| C14 | C13 | H6 | 109.3° | 109.4° |
| C14 | C13 | H7 | 109.3° | 109.5° |
| C13 | C14 | H8 | 109.6° | 109.5° |
| C13 | C14 | H9 | 109.6° | 109.5° |
| C13 | C12 | N9 | 111.5° | 109.5° |
| C13 | C12 | H4 | 109.0° | 109.5° |
| C13 | C12 | H5 | 109.0° | 109.5° |
| C12 | C13 | H6 | 109.3° | 109.5° |
| C12 | C13 | H7 | 109.3° | 109.5° |
| C29 | C30 | C31 | 111.1° | 109.5° |
| C30 | C29 | H23 | 109.0° | 109.4° |
| C30 | C29 | H24 | 109.1° | 109.5° |
| C29 | C30 | H25 | 109.1° | 109.4° |
| C29 | C30 | H26 | 109.1° | 109.5° |
| C30 | C31 | N32 | 110.8° | 109.5° |
| C31 | C30 | H25 | 109.0° | 109.4° |
| C31 | C30 | H26 | 109.1° | 109.5° |
| C30 | C31 | H27 | 109.2° | 109.5° |
| C30 | C31 | H28 | 109.2° | 109.5° |
| O54 | C16 | C22 | 117.9° | 120.0° |
| C12 | N9 | C1 | 123.3° | 120.0° |
| N9 | C12 | H4 | 108.9° | 109.4° |
| N9 | C12 | H5 | 108.9° | 109.4° |
| C12 | N9 | H37 | 118.4° | 120.0° |
| C38 | C37 | C36 | 120.2° | 119.5° |
| C37 | C38 | H20 | 119.7° | 120.3° |
| C38 | C37 | H21 | 119.9° | 120.2° |
| C16 | C22 | C23 | 117.4° | 119.8° |
| C16 | C22 | N27 | 122.7° | 119.8° |
| O46 | N35 | C36 | 121.8° | 119.7° |
| N35 | O46 | H22 | 109.5° | 114.0° |
| N35 | C36 | C37 | 119.7° | 120.0° |
| N35 | C36 | O47 | 120.3° | 120.0° |
| C31 | N32 | C33 | 124.1° | 120.0° |
| N32 | C31 | H27 | 109.1° | 109.4° |
| N32 | C31 | H28 | 109.2° | 109.5° |
| C31 | N32 | H29 | 118.0° | 120.0° |
| N9 | C1 | O8 | 123.7° | 120.0° |
| N9 | C1 | C2 | 117.4° | 120.0° |
| C1 | N9 | H37 | 118.3° | 120.0° |
| C37 | C36 | O47 | 119.9° | 120.0° |
| C36 | C37 | H21 | 119.9° | 120.2° |
| C23 | C22 | N27 | 119.9° | 120.5° |
| C22 | C23 | C24 | 120.3° | 119.9° |
| C22 | C23 | H16 | 119.8° | 120.0° |
| C22 | N27 | O48 | 122.7° | 119.7° |
| C22 | N27 | C26 | 119.6° | 120.6° |
| C23 | C24 | C25 | 120.6° | 119.4° |
| C24 | C23 | H16 | 119.9° | 120.1° |
| C23 | C24 | H17 | 119.7° | 120.3° |
| O48 | N27 | C26 | 117.7° | 119.7° |
| N27 | O48 | H36 | 109.5° | 114.0° |
| N32 | C33 | O53 | 122.7° | 120.0° |
| N32 | C33 | C40 | 120.6° | 119.9° |
| C33 | N32 | H29 | 118.0° | 120.1° |
| O8 | C1 | C2 | 118.7° | 120.0° |
| C1 | C2 | N3 | 121.9° | 119.7° |
| C1 | C2 | C7 | 116.6° | 119.8° |
| N27 | C26 | C25 | 119.7° | 120.1° |
| N27 | C26 | O49 | 120.4° | 120.0° |
| O10 | N3 | C2 | 124.7° | 119.8° |
| O10 | N3 | C4 | 118.5° | 119.6° |
| N3 | O10 | H38 | 109.5° | 114.0° |
| O50 | N45 | C40 | 122.8° | 119.7° |
| O50 | N45 | C44 | 116.9° | 119.7° |
| N45 | O50 | H30 | 109.5° | 114.0° |
| O53 | C33 | C40 | 116.6° | 120.0° |
| C33 | C40 | N45 | 121.9° | 119.7° |
| C33 | C40 | C41 | 118.3° | 119.8° |
| C24 | C25 | C26 | 119.9° | 119.5° |
| C25 | C24 | H17 | 119.7° | 120.3° |
| C24 | C25 | H18 | 120.0° | 120.2° |
| N3 | C2 | C7 | 121.5° | 120.5° |
| C2 | N3 | C4 | 116.7° | 120.6° |
| C2 | C7 | C6 | 120.3° | 119.9° |
| C2 | C7 | H3 | 119.8° | 120.0° |
| N3 | C4 | O9 | 118.1° | 120.0° |
| N3 | C4 | C5 | 121.9° | 120.1° |
| C25 | C26 | O49 | 119.8° | 120.0° |
| C26 | C25 | H18 | 120.1° | 120.3° |
| C40 | N45 | C44 | 120.3° | 120.5° |
| N45 | C40 | C41 | 119.8° | 120.5° |
| N45 | C44 | O51 | 118.6° | 119.9° |
| N45 | C44 | C43 | 119.3° | 120.1° |
| C40 | C41 | C42 | 119.7° | 120.0° |
| C40 | C41 | H33 | 120.2° | 120.0° |
| C7 | C6 | C5 | 119.3° | 119.5° |
| C7 | C6 | H1 | 120.4° | 120.3° |
| C6 | C7 | H3 | 119.9° | 120.1° |
| O9 | C4 | C5 | 119.9° | 119.9° |
| C4 | C5 | C6 | 120.2° | 119.5° |
| C4 | C5 | H2 | 119.9° | 120.2° |
| O51 | C44 | C43 | 122.0° | 119.9° |
| C44 | C43 | C42 | 119.9° | 119.5° |
| C44 | C43 | H31 | 120.0° | 120.2° |
| C41 | C42 | C43 | 120.9° | 119.4° |
| C41 | C42 | H32 | 119.6° | 120.4° |
| C42 | C41 | H33 | 120.1° | 120.0° |
| C5 | C6 | H1 | 120.3° | 120.3° |
| C6 | C5 | H2 | 119.9° | 120.3° |
| C42 | C43 | H31 | 120.0° | 120.3° |
| C43 | C42 | H32 | 119.5° | 120.2° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H10 | C17 | H11 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O55 | C28 | N21 | C20 | 1.2° | 5.0° |
| O55 | C28 | N21 | C34 | 179.1° | 180.0° |
| O55 | C28 | N21 | C29 | 179.4° | 175.0° |
| O55 | C28 | C34 | C39 | 63.8° | 91.5° |
| O55 | C28 | C34 | N35 | 112.8° | 88.2° |
| C17 | C18 | C19 | H12 | 120.5° | 120.0° |
| C17 | C18 | C19 | H13 | 120.5° | 119.9° |
| C17 | C18 | C19 | C20 | 176.6° | 180.0° |
| C18 | C17 | N15 | H10 | 119.7° | 120.0° |
| C18 | C17 | N15 | H11 | 119.8° | 120.0° |
| C18 | C17 | N15 | C14 | 69.8° | 90.0° |
| C18 | C17 | N15 | C16 | 108.0° | 90.0° |
| C18 | C17 | H10 | H11 | 120.7° | 120.0° |
| C17 | C18 | H12 | H13 | 118.6° | 120.0° |
| C17 | C18 | C19 | H34 | 56.4° | 60.0° |
| C17 | C18 | C19 | H35 | 63.1° | 60.1° |
| C18 | C19 | C20 | H34 | 120.3° | 120.0° |
| C18 | C19 | C20 | H35 | 120.3° | 120.0° |
| C18 | C19 | C20 | N21 | 84.1° | 180.0° |
| C19 | C18 | C17 | N15 | 82.8° | 180.0° |
| C19 | C18 | C17 | H10 | 36.9° | 60.0° |
| C19 | C18 | C17 | H11 | 157.4° | 60.0° |
| C19 | C18 | H12 | H13 | 118.6° | 120.0° |
| C18 | C19 | C20 | H14 | 35.7° | 60.0° |
| C18 | C19 | C20 | H15 | 156.1° | 60.0° |
| C18 | C19 | H34 | H35 | 119.1° | 120.0° |
| C19 | C20 | N21 | H14 | 119.8° | 120.0° |
| C19 | C20 | N21 | H15 | 119.8° | 120.0° |
| C19 | C20 | N21 | C28 | 97.8° | 84.5° |
| C19 | C20 | N21 | C29 | 81.6° | 95.5° |
| C20 | C19 | C18 | H12 | 62.9° | 60.0° |
| C20 | C19 | C18 | H13 | 56.2° | 60.0° |
| C19 | C20 | H14 | H15 | 120.5° | 120.0° |
| C20 | C19 | H34 | H35 | 119.1° | 120.0° |
| C20 | N21 | C28 | C29 | 179.4° | 180.0° |
| C20 | N21 | C28 | C34 | 177.9° | 175.0° |
| C20 | N21 | C29 | C30 | 98.4° | 90.1° |
| N21 | C20 | H14 | H15 | 120.5° | 120.0° |
| C20 | N21 | C29 | H23 | 21.8° | 150.0° |
| C20 | N21 | C29 | H24 | 141.3° | 30.0° |
| N21 | C20 | C19 | H34 | 155.6° | 60.0° |
| N21 | C20 | C19 | H35 | 36.2° | 60.0° |
| C17 | N15 | C14 | C16 | 177.8° | 180.0° |
| C17 | N15 | C14 | C13 | 100.4° | 84.9° |
| C17 | N15 | C16 | O54 | 5.4° | 5.0° |
| C17 | N15 | C16 | C22 | 175.7° | 175.1° |
| C17 | N15 | C14 | H8 | 19.5° | 35.1° |
| C17 | N15 | C14 | H9 | 139.6° | 155.1° |
| N15 | C17 | H10 | H11 | 120.7° | 120.0° |
| N15 | C17 | C18 | H12 | 37.6° | 60.0° |
| N15 | C17 | C18 | H13 | 156.7° | 60.0° |
| N21 | C28 | C34 | C39 | 117.1° | 88.5° |
| N21 | C28 | C34 | N35 | 66.3° | 91.8° |
| C28 | N21 | C29 | C30 | 82.1° | 90.0° |
| C28 | N21 | C20 | H14 | 22.0° | 155.5° |
| C28 | N21 | C20 | H15 | 142.3° | 35.5° |
| C28 | N21 | C29 | H23 | 157.7° | 30.0° |
| C28 | N21 | C29 | H24 | 38.1° | 150.0° |
| C34 | C28 | N21 | C29 | 1.5° | 5.0° |
| C28 | C34 | C39 | N35 | 176.6° | 179.8° |
| C28 | C34 | C39 | C38 | 177.2° | 180.0° |
| C28 | C34 | N35 | O46 | 1.5° | 0.0° |
| C28 | C34 | N35 | C36 | 178.6° | 179.7° |
| C28 | C34 | C39 | H19 | 2.8° | 0.0° |
| N21 | C29 | C30 | H23 | 120.2° | 120.0° |
| N21 | C29 | C30 | H24 | 120.3° | 120.0° |
| N21 | C29 | C30 | C31 | 171.0° | 180.0° |
| C29 | N21 | C20 | H14 | 158.5° | 24.5° |
| C29 | N21 | C20 | H15 | 38.2° | 144.5° |
| N21 | C29 | H23 | H24 | 119.3° | 120.0° |
| N21 | C29 | C30 | H25 | 68.8° | 60.0° |
| N21 | C29 | C30 | H26 | 50.7° | 60.0° |
| C34 | C39 | C38 | H19 | 180.0° | 180.0° |
| C34 | C39 | C38 | C37 | 0.1° | 0.0° |
| C39 | C34 | N35 | O46 | 178.0° | 179.7° |
| C39 | C34 | N35 | C36 | 2.1° | 0.5° |
| C34 | C39 | C38 | H20 | 179.8° | 180.0° |
| C38 | C39 | C34 | N35 | 0.6° | 0.3° |
| C39 | C38 | C37 | H20 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 1.2° | 0.0° |
| C39 | C38 | C37 | H21 | 178.8° | 180.0° |
| N15 | C14 | C13 | H8 | 119.9° | 120.0° |
| N15 | C14 | C13 | H9 | 120.0° | 120.0° |
| N15 | C14 | C13 | C12 | 174.8° | 180.0° |
| C14 | N15 | C16 | O54 | 172.2° | 175.0° |
| C14 | N15 | C16 | C22 | 6.7° | 4.9° |
| N15 | C14 | C13 | H6 | 54.7° | 60.0° |
| N15 | C14 | C13 | H7 | 65.0° | 59.9° |
| N15 | C14 | H8 | H9 | 120.2° | 120.0° |
| C14 | N15 | C17 | H10 | 170.4° | 30.0° |
| C14 | N15 | C17 | H11 | 49.9° | 150.0° |
| C16 | N15 | C14 | C13 | 81.8° | 95.1° |
| N15 | C16 | O54 | C22 | 179.0° | 180.0° |
| N15 | C16 | C22 | C23 | 106.2° | 88.0° |
| N15 | C16 | C22 | N27 | 73.2° | 91.4° |
| C16 | N15 | C14 | H8 | 158.2° | 144.9° |
| C16 | N15 | C14 | H9 | 38.1° | 25.0° |
| C16 | N15 | C17 | H10 | 11.7° | 150.0° |
| C16 | N15 | C17 | H11 | 132.2° | 30.0° |
| C34 | N35 | O46 | C36 | 179.9° | 179.7° |
| C34 | N35 | C36 | C37 | 3.1° | 0.5° |
| C34 | N35 | C36 | O47 | 179.0° | 179.7° |
| N35 | C34 | C39 | H19 | 179.4° | 179.8° |
| C34 | N35 | O46 | H22 | 179.5° | 180.0° |
| C14 | C13 | C12 | H6 | 120.1° | 120.0° |
| C14 | C13 | C12 | H7 | 120.1° | 120.0° |
| C14 | C13 | C12 | N9 | 56.6° | 180.0° |
| C14 | C13 | C12 | H4 | 176.9° | 60.0° |
| C14 | C13 | C12 | H5 | 63.7° | 60.0° |
| C14 | C13 | H6 | H7 | 119.7° | 120.0° |
| C13 | C14 | H8 | H9 | 120.2° | 120.0° |
| C13 | C12 | N9 | H4 | 120.3° | 120.0° |
| C13 | C12 | N9 | H5 | 120.3° | 120.0° |
| C13 | C12 | N9 | C1 | 100.1° | 180.0° |
| C13 | C12 | H4 | H5 | 119.1° | 120.0° |
| C12 | C13 | H6 | H7 | 119.6° | 120.0° |
| C12 | C13 | C14 | H8 | 65.2° | 60.0° |
| C12 | C13 | C14 | H9 | 54.9° | 60.0° |
| C13 | C12 | N9 | H37 | 79.9° | 0.0° |
| C29 | C30 | C31 | H25 | 120.2° | 119.9° |
| C29 | C30 | C31 | H26 | 120.3° | 120.0° |
| C29 | C30 | C31 | N32 | 46.2° | 180.0° |
| C30 | C29 | H23 | H24 | 119.2° | 120.0° |
| C29 | C30 | H25 | H26 | 119.3° | 120.0° |
| C29 | C30 | C31 | H27 | 166.3° | 60.1° |
| C29 | C30 | C31 | H28 | 74.0° | 60.0° |
| C30 | C31 | N32 | H27 | 120.2° | 120.0° |
| C30 | C31 | N32 | H28 | 120.2° | 120.1° |
| C30 | C31 | N32 | C33 | 163.9° | 180.0° |
| C31 | C30 | C29 | H23 | 50.8° | 60.1° |
| C31 | C30 | C29 | H24 | 68.7° | 59.9° |
| C31 | C30 | H25 | H26 | 119.3° | 120.0° |
| C30 | C31 | H27 | H28 | 119.4° | 120.1° |
| C30 | C31 | N32 | H29 | 16.1° | 0.0° |
| O54 | C16 | C22 | C23 | 74.8° | 92.0° |
| O54 | C16 | C22 | N27 | 105.8° | 88.5° |
| C12 | N9 | C1 | H37 | 180.0° | 179.9° |
| C12 | N9 | C1 | O8 | 1.1° | 0.1° |
| C12 | N9 | C1 | C2 | 177.7° | 179.7° |
| N9 | C12 | H4 | H5 | 119.0° | 120.0° |
| N9 | C12 | C13 | H6 | 63.5° | 60.0° |
| N9 | C12 | C13 | H7 | 176.7° | 60.0° |
| C38 | C37 | C36 | N35 | 2.7° | 0.3° |
| C38 | C37 | C36 | H21 | 180.0° | 180.0° |
| C38 | C37 | C36 | O47 | 179.4° | 180.0° |
| C37 | C38 | C39 | H19 | 179.8° | 180.0° |
| C16 | C22 | C23 | N27 | 179.5° | 179.5° |
| C16 | C22 | C23 | C24 | 179.5° | 180.0° |
| C16 | C22 | N27 | O48 | 1.6° | 0.0° |
| C16 | C22 | N27 | C26 | 178.3° | 180.0° |
| C16 | C22 | C23 | H16 | 0.4° | 0.2° |
| O46 | N35 | C36 | C37 | 177.0° | 179.7° |
| O46 | N35 | C36 | O47 | 0.9° | 0.0° |
| N35 | C36 | C37 | O47 | 177.9° | 179.7° |
| N35 | C36 | C37 | H21 | 177.3° | 179.7° |
| C36 | N35 | O46 | H22 | 0.4° | 0.3° |
| C31 | N32 | C33 | H29 | 180.0° | 180.0° |
| C31 | N32 | C33 | O53 | 9.2° | 0.1° |
| C31 | N32 | C33 | C40 | 174.2° | 180.0° |
| N32 | C31 | C30 | H25 | 74.1° | 60.1° |
| N32 | C31 | C30 | H26 | 166.4° | 60.0° |
| N32 | C31 | H27 | H28 | 119.4° | 120.0° |
| N9 | C1 | O8 | C2 | 176.6° | 179.7° |
| N9 | C1 | C2 | N3 | 25.6° | 179.7° |
| N9 | C1 | C2 | C7 | 154.0° | 0.6° |
| C1 | N9 | C12 | H4 | 20.3° | 60.0° |
| C1 | N9 | C12 | H5 | 139.6° | 60.0° |
| C36 | C37 | C38 | H20 | 178.8° | 180.0° |
| C22 | C23 | C24 | H16 | 180.0° | 179.8° |
| C23 | C22 | N27 | O48 | 177.8° | 179.5° |
| C23 | C22 | N27 | C26 | 1.1° | 0.5° |
| C22 | C23 | C24 | C25 | 0.7° | 0.2° |
| C22 | C23 | C24 | H17 | 179.3° | 179.7° |
| N27 | C22 | C23 | C24 | 0.1° | 0.5° |
| C22 | N27 | O48 | C26 | 176.8° | 180.0° |
| C22 | N27 | C26 | C25 | 1.7° | 0.3° |
| C22 | N27 | C26 | O49 | 178.9° | 179.7° |
| N27 | C22 | C23 | H16 | 179.9° | 179.7° |
| C22 | N27 | O48 | H36 | 178.8° | 180.0° |
| O47 | C36 | C37 | H21 | 0.6° | 0.0° |
| C23 | C24 | C25 | H17 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | H18 | 179.8° | 180.0° |
| O48 | N27 | C26 | C25 | 178.6° | 179.7° |
| O48 | N27 | C26 | O49 | 4.2° | 0.3° |
| N32 | C33 | O53 | C40 | 176.8° | 179.9° |
| N32 | C33 | C40 | N45 | 17.3° | 179.8° |
| N32 | C33 | C40 | C41 | 161.8° | 0.0° |
| C33 | N32 | C31 | H27 | 75.9° | 60.0° |
| C33 | N32 | C31 | H28 | 43.7° | 60.0° |
| O8 | C1 | C2 | N3 | 157.6° | 0.1° |
| O8 | C1 | C2 | C7 | 22.8° | 179.8° |
| O8 | C1 | N9 | H37 | 178.9° | 180.0° |
| C1 | C2 | N3 | O10 | 3.3° | 0.1° |
| C1 | C2 | N3 | C7 | 179.6° | 179.7° |
| C1 | C2 | N3 | C4 | 178.1° | 180.0° |
| C1 | C2 | C7 | C6 | 179.8° | 180.0° |
| C1 | C2 | C7 | H3 | 0.1° | 0.0° |
| C2 | C1 | N9 | H37 | 2.3° | 0.3° |
| N27 | C26 | C25 | C24 | 1.0° | 0.0° |
| N27 | C26 | C25 | O49 | 177.2° | 180.0° |
| N27 | C26 | C25 | H18 | 179.0° | 180.0° |
| C26 | N27 | O48 | H36 | 2.0° | 0.1° |
| O10 | N3 | C2 | C4 | 174.8° | 180.0° |
| O10 | N3 | C2 | C7 | 177.2° | 179.8° |
| O10 | N3 | C4 | O9 | 5.1° | 0.3° |
| O10 | N3 | C4 | C5 | 179.6° | 180.0° |
| O50 | N45 | C40 | C33 | 0.0° | 0.0° |
| O50 | N45 | C40 | C44 | 177.1° | 179.9° |
| O50 | N45 | C40 | C41 | 179.1° | 179.7° |
| O50 | N45 | C44 | O51 | 2.4° | 0.0° |
| O50 | N45 | C44 | C43 | 179.3° | 180.0° |
| O53 | C33 | C40 | N45 | 165.8° | 0.3° |
| O53 | C33 | C40 | C41 | 15.0° | 180.0° |
| O53 | C33 | N32 | H29 | 170.9° | 179.9° |
| C33 | C40 | N45 | C41 | 179.1° | 179.7° |
| C33 | C40 | N45 | C44 | 177.1° | 180.0° |
| C33 | C40 | C41 | C42 | 178.3° | 179.8° |
| C40 | C33 | N32 | H29 | 5.8° | 0.0° |
| C33 | C40 | C41 | H33 | 1.7° | 0.0° |
| C24 | C25 | C26 | H18 | 180.0° | 180.0° |
| C24 | C25 | C26 | O49 | 178.3° | 180.0° |
| C25 | C24 | C23 | H16 | 179.2° | 180.0° |
| N3 | C2 | C7 | C6 | 0.3° | 0.3° |
| C2 | N3 | C4 | O9 | 179.8° | 179.7° |
| C2 | N3 | C4 | C5 | 4.4° | 0.0° |
| N3 | C2 | C7 | H3 | 179.7° | 179.7° |
| C2 | N3 | O10 | H38 | 177.2° | 180.0° |
| C7 | C2 | N3 | C4 | 2.4° | 0.3° |
| C2 | C7 | C6 | H3 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.0° |
| C2 | C7 | C6 | H1 | 179.9° | 179.7° |
| N3 | C4 | O9 | C5 | 175.5° | 179.6° |
| N3 | C4 | C5 | C6 | 4.4° | 0.3° |
| N3 | C4 | C5 | H2 | 175.6° | 179.6° |
| C4 | N3 | O10 | H38 | 2.5° | 0.0° |
| C26 | C25 | C24 | H17 | 179.8° | 180.0° |
| O49 | C26 | C25 | H18 | 1.7° | 0.0° |
| C40 | N45 | C44 | O51 | 179.7° | 180.0° |
| C40 | N45 | C44 | C43 | 2.0° | 0.0° |
| N45 | C40 | C41 | C42 | 0.9° | 0.5° |
| C40 | N45 | O50 | H30 | 178.4° | 179.9° |
| N45 | C40 | C41 | H33 | 179.1° | 179.7° |
| C44 | N45 | C40 | C41 | 2.0° | 0.2° |
| N45 | C44 | O51 | C43 | 178.2° | 180.0° |
| N45 | C44 | C43 | C42 | 0.9° | 0.0° |
| C44 | N45 | O50 | H30 | 1.2° | 0.0° |
| N45 | C44 | C43 | H31 | 179.1° | 180.0° |
| C40 | C41 | C42 | H33 | 180.0° | 179.8° |
| C40 | C41 | C42 | C43 | 0.2° | 0.5° |
| C40 | C41 | C42 | H32 | 179.8° | 179.7° |
| C7 | C6 | C5 | C4 | 2.1° | 0.3° |
| C7 | C6 | C5 | H1 | 180.0° | 179.7° |
| C7 | C6 | C5 | H2 | 177.9° | 179.7° |
| O9 | C4 | C5 | C6 | 179.7° | 179.9° |
| O9 | C4 | C5 | H2 | 0.3° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H1 | 177.9° | 180.0° |
| O51 | C44 | C43 | C42 | 179.2° | 180.0° |
| O51 | C44 | C43 | H31 | 0.8° | 0.1° |
| C44 | C43 | C42 | C41 | 0.2° | 0.2° |
| C44 | C43 | C42 | H31 | 180.0° | 180.0° |
| C44 | C43 | C42 | H32 | 179.8° | 180.0° |
| C41 | C42 | C43 | H32 | 180.0° | 179.8° |
| C41 | C42 | C43 | H31 | 179.8° | 179.8° |
| C5 | C6 | C7 | H3 | 179.9° | 180.0° |
| C43 | C42 | C41 | H33 | 179.8° | 179.7° |
| H1 | C6 | C5 | H2 | 2.1° | 0.1° |
| H1 | C6 | C7 | H3 | 0.1° | 0.3° |
| H4 | C12 | C13 | H6 | 56.8° | 59.9° |
| H4 | C12 | C13 | H7 | 63.0° | 179.9° |
| H4 | C12 | N9 | H37 | 159.7° | 120.0° |
| H5 | C12 | C13 | H6 | 176.2° | 180.0° |
| H5 | C12 | C13 | H7 | 56.4° | 60.0° |
| H5 | C12 | N9 | H37 | 40.4° | 120.0° |
| H6 | C13 | C14 | H8 | 174.7° | 180.0° |
| H6 | C13 | C14 | H9 | 65.2° | 60.0° |
| H7 | C13 | C14 | H8 | 54.9° | 60.1° |
| H7 | C13 | C14 | H9 | 175.0° | 179.9° |
| H10 | C17 | C18 | H12 | 157.4° | 60.0° |
| H10 | C17 | C18 | H13 | 83.5° | 180.0° |
| H11 | C17 | C18 | H12 | 82.1° | 180.0° |
| H11 | C17 | C18 | H13 | 37.0° | 60.0° |
| H12 | C18 | C19 | H34 | 176.8° | 180.0° |
| H12 | C18 | C19 | H35 | 57.4° | 60.0° |
| H13 | C18 | C19 | H34 | 64.1° | 60.0° |
| H13 | C18 | C19 | H35 | 176.5° | 180.0° |
| H14 | C20 | C19 | H34 | 84.6° | 60.0° |
| H14 | C20 | C19 | H35 | 156.0° | 180.0° |
| H15 | C20 | C19 | H34 | 35.8° | 180.0° |
| H15 | C20 | C19 | H35 | 83.6° | 60.0° |
| H16 | C23 | C24 | H17 | 0.8° | 0.0° |
| H17 | C24 | C25 | H18 | 0.2° | 0.0° |
| H19 | C39 | C38 | H20 | 0.2° | 0.0° |
| H20 | C38 | C37 | H21 | 1.2° | 0.0° |
| H23 | C29 | C30 | H25 | 171.0° | 180.0° |
| H23 | C29 | C30 | H26 | 69.5° | 60.0° |
| H24 | C29 | C30 | H25 | 51.5° | 60.0° |
| H24 | C29 | C30 | H26 | 171.0° | 180.0° |
| H25 | C30 | C31 | H27 | 46.1° | 180.0° |
| H25 | C30 | C31 | H28 | 165.7° | 60.0° |
| H26 | C30 | C31 | H27 | 73.4° | 60.0° |
| H26 | C30 | C31 | H28 | 46.2° | 180.0° |
| H27 | C31 | N32 | H29 | 104.1° | 120.0° |
| H28 | C31 | N32 | H29 | 136.3° | 120.0° |
| H31 | C43 | C42 | H32 | 0.2° | 0.0° |
| H32 | C42 | C41 | H33 | 0.2° | 0.0° |
